0 B12R1.283 C=C(C)c1ccccc1CCN 271570a_100000694244_100000747383 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.283 C=C(C)c1ccccc1CCO 271570a_100000694244_100000731337 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.283 C=C(C)c1ccccc1CNC 271570a_100000694244_100000184654 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.283 C=C(C)c1ccccc1COC 271570a_100000694244_100011493684 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.283 C=C(C)c1ccccc1CSC 271570a_100000694244_100000148299 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.283 C=C(C)c1ccccc1NCC 271570a_100000694244_114873767003 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.283 C=C(C)c1ccccc1NCC 34a_100000037685_100000210202 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.283 C=C(C)c1ccccc1NCF 34a_100000037685_100015361967 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.283 C=C(C)c1ccccc1SCC 271570a_100000694244_100000230856 [0,0,0,0,0,0|2,1,0]=3 10 B12R1.283 C=C(C)c1cccnc1OCC 271570a_100000694244_100011465154 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.283 C=C(C)c1ncccc1OCC 271570a_100000694244_100011597540 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.283 C=C(C)c1nccnc1OCC 271570a_100000694244_200010128176 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.283 C=C=Cc1ccccc1C(=O)C 271570a_100015277604_100000751169 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.283 C=C=Cc1ccccc1C(=O)N 271570a_100015277604_100000162227 [0,0,0,0,0,0|1,0,2]=3 15 B12R1.283 C=C=Cc1cccnc1C(=O)N 271570a_100015277604_200012359670 [0,0,0,0,0,0|2,0,2]=4 16 B12R1.283 C=C=Cc1ccncc1C(=O)N 271570a_100015277604_100000697804 [0,0,0,0,0,0|2,0,2]=4 17 B12R1.283 C=C=Cc1cnccc1C(=O)N 271570a_100015277604_100010205435 [0,0,0,0,0,0|2,0,2]=4 18 B12R1.283 C=C=Cc1ncccc1C(=O)N 271570a_100015277604_100000162199 [0,0,0,0,0,0|2,0,2]=4 19 B12R1.283 CC(=O)c1ccccc1CC#N 1458a_100000010604_200000210301 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.283 CC(=O)c1ccccc1N=[N+]=[N-] 1458a_100009827904_200000210301 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.283 CC(=O)c1ccccc1SCF 62a_100000751169_100015361967 [0,0,0,0,0,0|2,1,0]=3 22 B12R1.283 CC(=O)c1cccnc1SCF 62a_100000753718_100015361967 [0,0,0,0,0,0|3,1,0]=4 23 B12R1.283 CC(=O)c1cccnc1SCF 62a_100015361967_100000753718 [0,0,0,0,0,0|3,1,0]=4 24 B12R1.283 CC(=O)c1ccncc1OCF 7a_100009872882_100015361967 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.283 CC(=O)c1ccncc1SCF 62a_100009993184_100015361967 [0,0,0,0,0,0|3,1,0]=4 26 B12R1.283 CC(=O)c1ccncc1SCF 62a_100015361967_100009993184 [0,0,0,0,0,0|3,1,0]=4 27 B12R1.283 CC(=O)c1cnccc1SCF 62a_100015361967_100160469449 [0,0,0,0,0,0|3,1,0]=4 28 B12R1.283 CC(=O)c1cnccc1SCF 62a_100160469449_100015361967 [0,0,0,0,0,0|3,1,0]=4 29 B12R1.283 CC(=O)c1ncccc1OCF 34a_100000087166_100015361967 [0,0,0,0,0,0|3,0,0]=3 30 B12R1.283 CC(=O)c1ncccc1OCF 7a_100000087166_100015361967 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.283 CC(=O)c1ncccc1SCF 62a_100012348690_100015361967 [0,0,0,0,0,0|3,1,0]=4 32 B12R1.283 CC(=O)c1ncccc1SCF 62a_100015361967_100012348690 [0,0,0,0,0,0|3,1,0]=4 33 B12R1.283 CC(C)c1ccccc1OCF 34a_100000211617_100015361967 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.283 CC(C)c1ccccc1OCF 7a_100000211617_100015361967 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.283 CC(N)c1ccccc1SCF 62a_100000181357_100015361967 [0,0,0,0,0,0|2,1,1]=4 36 B12R1.283 CC(N)c1ccccc1SCF 62a_100015361967_100000181357 [0,0,0,0,0,0|2,1,1]=4 37 B12R1.283 CC(O)c1ccccc1OCF 34a_200011232679_100015361967 [0,0,0,0,0,0|2,0,2]=4 38 B12R1.283 CC(O)c1ccccc1OCF 7a_200011232679_100015361967 [0,0,0,0,0,0|2,0,2]=4 39 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [0,0,0,0,0,0|2,0,1]=3 40 B12R1.283 CC=Cc1ccccc1C(=O)N 271570a_100016259895_100000162227 [0,0,0,0,0,0|1,0,1]=2 41 B12R1.283 CC=Cc1ccccc1C(C)N 271570a_100016259895_100000181357 [0,0,0,0,0,0|2,0,2]=4 42 B12R1.283 CC=Cc1ccccc1S(=O)C 271570a_100016259895_100000734199 [0,0,0,0,0,0|3,0,1]=4 43 B12R1.283 CC=Cc1cccnc1C(=O)C 271570a_100016259895_100012348690 [0,0,0,0,0,0|3,0,1]=4 44 B12R1.283 CC=Cc1cccnc1C(=O)N 271570a_100016259895_200012359670 [0,0,0,0,0,0|2,0,1]=3 45 B12R1.283 CC=Cc1ccncc1C(=O)C 271570a_100016259895_100160469449 [0,0,0,0,0,0|3,0,1]=4 46 B12R1.283 CC=Cc1ccncc1C(=O)N 271570a_100016259895_100000697804 [0,0,0,0,0,0|2,0,1]=3 47 B12R1.283 CC=Cc1cnccc1C(=O)C 271570a_100016259895_100009993184 [0,0,0,0,0,0|3,0,1]=4 48 B12R1.283 CC=Cc1cnccc1C(=O)N 271570a_100016259895_100010205435 [0,0,0,0,0,0|2,0,1]=3 49 B12R1.283 CC=Cc1ncccc1C(=O)C 271570a_100016259895_100000753718 [0,0,0,0,0,0|3,0,1]=4 50 B12R1.283 CC=Cc1ncccc1C(=O)N 271570a_100016259895_100000162199 [0,0,0,0,0,0|2,0,1]=3 51 B12R1.283 CC=Cc1nccnc1C(=O)N 271570a_100016259895_100000094861 [0,0,0,0,0,0|3,0,1]=4 52 B12R1.283 CCNc1ccccc1C(=O)N 34a_100000185089_100000210202 [0,0,0,0,0,0|1,0,0]=1 53 B12R1.283 CCNc1ccccc1C(C)C 2230a_100000210643_100000210202 [0,0,0,0,0,0|3,0,1]=4 54 B12R1.283 CCNc1ccccc1C(C)C 34a_100000210643_100000210202 [0,0,0,0,0,0|3,0,1]=4 55 B12R1.283 CCNc1ccccc1C(C)C 7a_100000210643_100000210202 [0,0,0,0,0,0|3,0,1]=4 56 B12R1.283 CCNc1ccccc1C(C)O 2230a_100011405641_100000210202 [0,0,0,0,0,0|2,0,2]=4 57 B12R1.283 CCNc1ccccc1C(F)F 2230a_100000734540_100000210202 [0,0,0,0,0,0|3,0,1]=4 58 B12R1.283 CCNc1ccccc1C(F)F 34a_100000734540_100000210202 [0,0,0,0,0,0|3,0,1]=4 59 B12R1.283 CCNc1ccccc1C(F)F 7a_100000734540_100000210202 [0,0,0,0,0,0|3,0,1]=4 60 B12R1.283 CCNc1cccnc1C(=O)N 27a_100015525214_200012359670 [0,0,0,0,0,0|2,0,0]=2 61 B12R1.283 CCNc1ccncc1C(=O)C 27a_100015525214_100160469449 [0,0,0,0,0,0|3,0,0]=3 62 B12R1.283 CCNc1ccncc1C(=O)N 27a_100015525214_100000697804 [0,0,0,0,0,0|2,0,0]=2 63 B12R1.283 CCNc1ncccc1C(=O)C 27a_100015525214_100009816689 [0,0,0,0,0,0|3,0,0]=3 64 B12R1.283 CCNc1ncccc1C(=O)N 27a_100015525214_100000162199 [0,0,0,0,0,0|2,0,0]=2 65 B12R1.283 CCNc1nccnc1C(=O)C 27a_100015525214_100000099859 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.283 CCNc1nccnc1C(=O)N 27a_100015525214_100000094861 [0,0,0,0,0,0|3,0,0]=3 67 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [0,0,0,0,0,0|1,0,0]=1 68 B12R1.283 CCOc1ccccc1C(=O)N 34a_100000192804_100000210202 [0,0,0,0,0,0|0,0,0]=0 69 B12R1.283 CCOc1ccccc1C(=O)N 7a_100000192804_100000210202 [0,0,0,0,0,0|0,0,0]=0 70 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [0,0,0,0,0,0|1,0,0]=1 71 B12R1.283 CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210202 [0,0,0,0,0,0|1,0,0]=1 72 B12R1.283 CCOc1ccccc1C(=S)N 7a_100000745089_100000210202 [0,0,0,0,0,0|0,1,0]=1 73 B12R1.283 CCOc1ccccc1C(C)C 34a_100000211617_100000210202 [0,0,0,0,0,0|2,0,1]=3 74 B12R1.283 CCOc1ccccc1C(C)C 7a_100000211617_100000210202 [0,0,0,0,0,0|2,0,1]=3 75 B12R1.283 CCOc1ccccc1C(C)O 34a_200011232679_100000210202 [0,0,0,0,0,0|1,0,2]=3 76 B12R1.283 CCOc1ccccc1C(C)O 7a_200011232679_100000210202 [0,0,0,0,0,0|1,0,2]=3 77 B12R1.283 CCOc1ccccc1[C@@H](C)N 34a_100025703389_100000210202 [0,0,0,0,0,0|1,0,1]=2 78 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210202 [0,0,0,0,0,0|2,0,0]=2 79 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210202 [0,0,0,0,0,0|2,0,0]=2 80 B12R1.283 CCOc1cccnc1C(=O)C 34a_100000087166_100000210202 [0,0,0,0,0,0|2,0,0]=2 81 B12R1.283 CCOc1cccnc1C(=O)C 7a_100000087166_100000210202 [0,0,0,0,0,0|2,0,0]=2 82 B12R1.283 CCOc1cccnc1C(=O)N 34a_200011215183_100000210202 [0,0,0,0,0,0|1,0,0]=1 83 B12R1.283 CCOc1cccnc1C(=O)N 7a_200011215183_100000210202 [0,0,0,0,0,0|1,0,0]=1 84 B12R1.283 CCOc1cccnc1C(C)C 34a_100012183336_100000210202 [0,0,0,0,0,0|3,0,1]=4 85 B12R1.283 CCOc1cccnc1C(C)C 7a_100012183336_100000210202 [0,0,0,0,0,0|3,0,1]=4 86 B12R1.283 CCOc1cccnc1[N+](=O)[O-] 7a_100000183951_100000210202 [0,0,0,0,0,0|3,0,0]=3 87 B12R1.283 CCOc1ccncc1C(=O)N 34a_200011998761_100000210202 [0,0,0,0,0,0|1,0,0]=1 88 B12R1.283 CCOc1cnccc1C(=O)C 7a_100009872882_100000210202 [0,0,0,0,0,0|2,0,0]=2 89 B12R1.283 CCOc1cnccc1C(=O)N 7a_100012022987_100000210202 [0,0,0,0,0,0|1,0,0]=1 90 B12R1.283 CCOc1cnccc1C(F)F 34a_100010834524_100000210202 [0,0,0,0,0,0|3,0,1]=4 91 B12R1.283 CCOc1cnccc1C(F)F 7a_100010834524_100000210202 [0,0,0,0,0,0|3,0,1]=4 92 B12R1.283 CCOc1nccnc1C(=O)N 34a_100011830332_100000210202 [0,0,0,0,0,0|2,0,0]=2 93 B12R1.283 CCSc1ccccc1B(O)O 62a_100000210202_100000693059 [0,0,0,0,0,0|2,1,1]=4 94 B12R1.283 CCSc1ccccc1B(O)O 62a_100000693059_100000210202 [0,0,0,0,0,0|2,1,1]=4 95 B12R1.283 CCSc1ccccc1C(=O)C 1458a_100000195471_200000210301 [0,0,0,0,0,0|1,1,0]=2 96 B12R1.283 CCSc1ccccc1C(=O)C 62a_100000751169_100000210202 [0,0,0,0,0,0|1,1,0]=2 97 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000162227_100000210202 [0,0,0,0,0,0|0,1,0]=1 98 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000210202_100000162227 [0,0,0,0,0,0|0,1,0]=1 99 B12R1.283 CCSc1ccccc1C(=O)O 62a_100000210202_100000734275 [0,0,0,0,0,0|1,1,0]=2 100 B12R1.283 CCSc1ccccc1C(=O)O 62a_202125556159_100000210202 [0,0,0,0,0,0|1,1,0]=2 101 B12R1.283 CCSc1ccccc1C(=O)[13CH3] 1458a_100000195471_200025704644 [0,0,0,0,0,0|1,1,0]=2 102 B12R1.283 CCSc1ccccc1C(C)C 62a_100000210202_100000708600 [0,0,0,0,0,0|2,1,1]=4 103 B12R1.283 CCSc1ccccc1C(C)C 62a_100000708600_100000210202 [0,0,0,0,0,0|2,1,1]=4 104 B12R1.283 CCSc1ccccc1C(C)N 62a_100000181357_100000210202 [0,0,0,0,0,0|1,1,1]=3 105 B12R1.283 CCSc1ccccc1C(C)N 62a_100000210202_100000181357 [0,0,0,0,0,0|1,1,1]=3 106 B12R1.283 CCSc1ccccc1C(C)O 62a_100000210202_100000702211 [0,0,0,0,0,0|1,1,2]=4 107 B12R1.283 CCSc1ccccc1C(C)O 62a_100000702211_100000210202 [0,0,0,0,0,0|1,1,2]=4 108 B12R1.283 CCSc1ccccc1C(F)F 62a_100000210202_100010169824 [0,0,0,0,0,0|2,1,1]=4 109 B12R1.283 CCSc1ccccc1C(F)F 62a_100010169824_100000210202 [0,0,0,0,0,0|2,1,1]=4 110 B12R1.283 CCSc1ccccc1N(C)C 62a_100000210202_100011290883 [0,0,0,0,0,0|3,1,0]=4 111 B12R1.283 CCSc1ccccc1N(C)C 62a_100011290883_100000210202 [0,0,0,0,0,0|3,1,0]=4 112 B12R1.283 CCSc1ccccc1S(=O)C 62a_100000734199_100000210202 [0,0,0,0,0,0|2,1,0]=3 113 B12R1.283 CCSc1cccnc1C(=O)C 62a_100000210202_100012348690 [0,0,0,0,0,0|2,1,0]=3 114 B12R1.283 CCSc1cccnc1C(=O)C 62a_100012348690_100000210202 [0,0,0,0,0,0|2,1,0]=3 115 B12R1.283 CCSc1cccnc1C(=O)N 62a_100000210202_200012359670 [0,0,0,0,0,0|1,1,0]=2 116 B12R1.283 CCSc1cccnc1C(=O)N 62a_200012359670_100000210202 [0,0,0,0,0,0|1,1,0]=2 117 B12R1.283 CCSc1cccnc1C(C)N 62a_100000210202_100159271932 [0,0,0,0,0,0|2,1,1]=4 118 B12R1.283 CCSc1cccnc1C(C)N 62a_100159271932_100000210202 [0,0,0,0,0,0|2,1,1]=4 119 B12R1.283 CCSc1ccncc1C(=O)C 62a_100000210202_100160469449 [0,0,0,0,0,0|2,1,0]=3 120 B12R1.283 CCSc1ccncc1C(=O)C 62a_100160469449_100000210202 [0,0,0,0,0,0|2,1,0]=3 121 B12R1.283 CCSc1ccncc1C(=O)N 62a_100000210202_100000697804 [0,0,0,0,0,0|1,1,0]=2 122 B12R1.283 CCSc1ccncc1C(=O)N 62a_100000697804_100000210202 [0,0,0,0,0,0|1,1,0]=2 123 B12R1.283 CCSc1cnccc1C(=O)C 62a_100000210202_100009993184 [0,0,0,0,0,0|2,1,0]=3 124 B12R1.283 CCSc1cnccc1C(=O)C 62a_100009993184_100000210202 [0,0,0,0,0,0|2,1,0]=3 125 B12R1.283 CCSc1cnccc1C(=O)N 62a_100000210202_100010205435 [0,0,0,0,0,0|1,1,0]=2 126 B12R1.283 CCSc1cnccc1C(=O)N 62a_100010205435_100000210202 [0,0,0,0,0,0|1,1,0]=2 127 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000210202_100000753718 [0,0,0,0,0,0|2,1,0]=3 128 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000753718_100000210202 [0,0,0,0,0,0|2,1,0]=3 129 B12R1.283 CCSc1ncccc1C(=O)N 62a_100000162199_100000210202 [0,0,0,0,0,0|1,1,0]=2 130 B12R1.283 CCSc1ncccc1C(=O)N 62a_100000210202_100000162199 [0,0,0,0,0,0|1,1,0]=2 131 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000099859_100000210202 [0,0,0,0,0,0|3,1,0]=4 132 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000210202_100000099859 [0,0,0,0,0,0|3,1,0]=4 133 B12R1.283 CCSc1nccnc1C(=O)N 62a_100000094861_100000210202 [0,0,0,0,0,0|2,1,0]=3 134 B12R1.283 CCSc1nccnc1C(=O)N 62a_100000210202_100000094861 [0,0,0,0,0,0|2,1,0]=3 135 B12R1.283 CNCc1ccccc1C(=O)O 269956a_100015183376_200000210301 [0,0,0,0,0,0|3,0,0]=3 136 B12R1.283 CNCc1ccccc1[N+](=O)[O-] 2230a_106832991635_100000181388 [0,0,0,0,0,0|4,0,0]=4 137 B12R1.283 CNCc1ccccc1[N+](=O)[O-] 270004a_106832991635_100000186027 [0,0,0,0,0,0|4,0,0]=4 138 B12R1.283 CNCc1ccccc1[N+](=O)[O-] 34a_100102657272_100000181388 [0,0,0,0,0,0|4,0,0]=4 139 B12R1.283 CNCc1ccccc1[N+](=O)[O-] 7a_106832991635_100000181388 [0,0,0,0,0,0|4,0,0]=4 140 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [0,0,0,0,0,0|3,0,0]=3 141 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [0,0,0,0,0,0|3,0,0]=3 142 B12R1.283 COCc1ccccc1[N+](=O)[O-] 34a_100138415774_100000181388 [0,0,0,0,0,0|4,0,0]=4 143 B12R1.283 COCc1ccccc1[N+](=O)[O-] 7a_100011218404_200000210301 [0,0,0,0,0,0|4,0,0]=4 144 B12R1.283 CS(=O)c1ccccc1SCF 62a_100000734199_100015361967 [0,0,0,0,0,0|3,1,0]=4 145 B12R1.283 CSCc1ccccc1[N+](=O)[O-] 62a_200000210301_100000181388 [0,0,0,0,0,0|4,0,0]=4 146 B12R1.283 C[C@@H](N)c1ccccc1OCF 34a_100025703389_100015361967 [0,0,0,0,0,0|2,0,1]=3 147 B12R1.283 NC(=O)c1ccccc1NCF 34a_100000185089_100015361967 [0,0,0,0,0,0|2,0,0]=2 148 B12R1.283 NC(=O)c1ccccc1OCF 34a_100000192804_100015361967 [0,0,0,0,0,0|1,0,0]=1 149 B12R1.283 NC(=O)c1ccccc1OCF 7a_100000192804_100015361967 [0,0,0,0,0,0|1,0,0]=1 150 B12R1.283 NC(=O)c1ccccc1SCF 62a_100000162227_100015361967 [0,0,0,0,0,0|1,1,0]=2 151 B12R1.283 NC(=O)c1ccccc1SCF 62a_100015361967_100000162227 [0,0,0,0,0,0|1,1,0]=2 152 B12R1.283 NC(=O)c1cccnc1SCF 62a_100000162199_100015361967 [0,0,0,0,0,0|2,1,0]=3 153 B12R1.283 NC(=O)c1cccnc1SCF 62a_100015361967_100000162199 [0,0,0,0,0,0|2,1,0]=3 154 B12R1.283 NC(=O)c1ccncc1OCF 7a_100012022987_100015361967 [0,0,0,0,0,0|2,0,0]=2 155 B12R1.283 NC(=O)c1ccncc1SCF 62a_100010205435_100015361967 [0,0,0,0,0,0|2,1,0]=3 156 B12R1.283 NC(=O)c1ccncc1SCF 62a_100015361967_100010205435 [0,0,0,0,0,0|2,1,0]=3 157 B12R1.283 NC(=O)c1cnccc1OCF 34a_200011998761_100015361967 [0,0,0,0,0,0|2,0,0]=2 158 B12R1.283 NC(=O)c1cnccc1SCF 62a_100000697804_100015361967 [0,0,0,0,0,0|2,1,0]=3 159 B12R1.283 NC(=O)c1cnccc1SCF 62a_100015361967_100000697804 [0,0,0,0,0,0|2,1,0]=3 160 B12R1.283 NC(=O)c1ncccc1OCF 34a_200011215183_100015361967 [0,0,0,0,0,0|2,0,0]=2 161 B12R1.283 NC(=O)c1ncccc1OCF 7a_200011215183_100015361967 [0,0,0,0,0,0|2,0,0]=2 162 B12R1.283 NC(=O)c1ncccc1SCF 62a_100015361967_200012359670 [0,0,0,0,0,0|2,1,0]=3 163 B12R1.283 NC(=O)c1ncccc1SCF 62a_200012359670_100015361967 [0,0,0,0,0,0|2,1,0]=3 164 B12R1.283 NC(=O)c1nccnc1OCF 34a_100011830332_100015361967 [0,0,0,0,0,0|3,0,0]=3 165 B12R1.283 NC(=O)c1nccnc1SCF 62a_100000094861_100015361967 [0,0,0,0,0,0|3,1,0]=4 166 B12R1.283 NC(=O)c1nccnc1SCF 62a_100015361967_100000094861 [0,0,0,0,0,0|3,1,0]=4 167 B12R1.283 NC(=S)c1ccccc1OCF 7a_100000745089_100015361967 [0,0,0,0,0,0|1,1,0]=2 168 B12R1.283 O=C(O)c1ccccc1SCF 62a_100015361967_100000734275 [0,0,0,0,0,0|2,1,0]=3 169 B12R1.283 O=C(O)c1ccccc1SCF 62a_202125556159_100015361967 [0,0,0,0,0,0|2,1,0]=3 170 B12R1.283 O=C([O-])c1ccccc1OCF 7a_100015234032_100015361967 [0,0,0,0,0,0|2,0,0]=2 171 B12R1.283 O=[N+]([O-])c1ccccc1OCF 34a_100000186319_100015361967 [0,0,0,0,0,0|3,0,0]=3 172 B12R1.283 O=[N+]([O-])c1ccccc1OCF 7a_100000186319_100015361967 [0,0,0,0,0,0|3,0,0]=3 173 B12R1.283 O=[N+]([O-])c1ncccc1OCF 7a_100000183951_100015361967 [0,0,0,0,0,0|4,0,0]=4 174 B12R1.283 [13CH3]C(=O)c1ccccc1CC#N 1458a_100000010604_200025704644 [0,0,0,0,0,0|3,0,1]=4 175 B12R1.283 [13CH3]C(=O)c1ccccc1N=[N+]=[N-] 1458a_100009827904_200025704644 [0,0,0,0,0,0|4,0,0]=4 176 B12R1.283 [13CH3]NCc1ccccc1C(=O)O 269956a_100015183376_200025704644 [0,0,0,0,0,0|3,0,0]=3 177 B12R1.283 [13CH3]OCc1ccccc1[N+](=O)[O-] 7a_100011218404_200025704644 [0,0,0,0,0,0|4,0,0]=4 178 B12R1.283 [13CH3]SCc1ccccc1[N+](=O)[O-] 62a_200025704644_100000181388 [0,0,0,0,0,0|4,0,0]=4 179 B11R1.41 C#Cc1ccccc1NCC 34a_100011470550_100000210202 [1,0,0,0,0,0|2,0,1]=4 180 B11R1.41 C#Cc1ccccc1OCC 34a_200011470546_100000210202 [1,0,0,0,0,0|1,0,1]=3 181 B11R1.41 C#Cc1ccccc1OCC 7a_200011470546_100000210202 [1,0,0,0,0,0|1,0,1]=3 182 B11R1.41 C#Cc1ccccc1OCF 34a_200011470546_100015361967 [1,0,0,0,0,0|2,0,1]=4 183 B11R1.41 C#Cc1ccccc1OCF 7a_200011470546_100015361967 [1,0,0,0,0,0|2,0,1]=4 184 B11R1.41 C=C=Cc1ccccc1C=O 271570a_100015277604_100000211189 [1,0,0,0,0,0|1,0,2]=4 185 B11R1.41 C=Cc1ccccc1CCN 271570a_100011290941_100000747383 [1,0,0,0,0,0|3,0,0]=4 186 B11R1.41 C=Cc1ccccc1CCO 271570a_100011290941_100000731337 [1,0,0,0,0,0|3,0,0]=4 187 B11R1.41 C=Cc1ccccc1CNC 271570a_100011290941_100000184654 [1,0,0,0,0,0|3,0,0]=4 188 B11R1.41 C=Cc1ccccc1COC 271570a_100011290941_100011493684 [1,0,0,0,0,0|3,0,0]=4 189 B11R1.41 C=Cc1ccccc1COC 34a_200010883148_200000210301 [1,0,0,0,0,0|3,0,0]=4 190 B11R1.41 C=Cc1ccccc1COC 7a_200010883148_200000210301 [1,0,0,0,0,0|3,0,0]=4 191 B11R1.41 C=Cc1ccccc1CO[13CH3] 34a_200010883148_200025704644 [1,0,0,0,0,0|3,0,0]=4 192 B11R1.41 C=Cc1ccccc1CO[13CH3] 7a_200010883148_200025704644 [1,0,0,0,0,0|3,0,0]=4 193 B11R1.41 C=Cc1ccccc1CSC 271570a_100011290941_100000148299 [1,0,0,0,0,0|3,0,0]=4 194 B11R1.41 C=Cc1ccccc1NCC 271570a_100011290941_114873767003 [1,0,0,0,0,0|2,0,0]=3 195 B11R1.41 C=Cc1ccccc1NCC 34a_100012022501_100000210202 [1,0,0,0,0,0|2,0,0]=3 196 B11R1.41 C=Cc1ccccc1NCF 34a_100012022501_100015361967 [1,0,0,0,0,0|3,0,0]=4 197 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [1,0,0,0,0,0|1,0,0]=2 198 B11R1.41 C=Cc1ccccc1SCC 271570a_100011290941_100000230856 [1,0,0,0,0,0|1,1,0]=3 199 B11R1.41 C=Cc1ccccc1SCC 62a_100000210202_100011218376 [1,0,0,0,0,0|1,1,0]=3 200 B11R1.41 C=Cc1ccccc1SCC 62a_100011218376_100000210202 [1,0,0,0,0,0|1,1,0]=3 201 B11R1.41 C=Cc1ccccc1SCF 62a_100011218376_100015361967 [1,0,0,0,0,0|2,1,0]=4 202 B11R1.41 C=Cc1ccccc1SCF 62a_100015361967_100011218376 [1,0,0,0,0,0|2,1,0]=4 203 B11R1.41 C=Cc1cccnc1OCC 271570a_100011290941_100011465154 [1,0,0,0,0,0|2,0,0]=3 204 B11R1.41 C=Cc1ncccc1OCC 271570a_100011290941_100011597540 [1,0,0,0,0,0|2,0,0]=3 205 B11R1.41 C=Cc1nccnc1OCC 271570a_100011290941_200010128176 [1,0,0,0,0,0|3,0,0]=4 206 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [1,0,0,0,0,0|1,0,1]=3 207 B11R1.41 CC=Cc1ccccc1CN 271570a_100016259895_100000689332 [1,0,0,0,0,0|1,0,2]=4 208 B11R1.41 CC=Cc1ccccc1NN 271570a_100016259895_100000241748 [1,0,0,0,0,0|2,0,1]=4 209 B11R1.41 CC=Cc1cccnc1C=O 271570a_100016259895_100011934733 [1,0,0,0,0,0|2,0,1]=4 210 B11R1.41 CC=Cc1ccncc1C=O 271570a_100016259895_100000050567 [1,0,0,0,0,0|2,0,1]=4 211 B11R1.41 CC=Cc1cnccc1C=O 271570a_100016259895_100011934409 [1,0,0,0,0,0|2,0,1]=4 212 B11R1.41 CC=Cc1ncccc1C=O 271570a_100016259895_100009816751 [1,0,0,0,0,0|2,0,1]=4 213 B11R1.41 CCCc1ccccc1NC 2230a_100000737634_200000210301 [1,0,0,0,0,0|3,0,0]=4 214 B11R1.41 CCCc1ccccc1NC 34a_100000737634_200000210301 [1,0,0,0,0,0|3,0,0]=4 215 B11R1.41 CCCc1ccccc1NC 7a_100000737634_200000210301 [1,0,0,0,0,0|3,0,0]=4 216 B11R1.41 CCCc1ccccc1N[13CH3] 2230a_100000737634_200025704644 [1,0,0,0,0,0|3,0,0]=4 217 B11R1.41 CCCc1ccccc1N[13CH3] 34a_100000737634_200025704644 [1,0,0,0,0,0|3,0,0]=4 218 B11R1.41 CCCc1ccccc1N[13CH3] 7a_100000737634_200025704644 [1,0,0,0,0,0|3,0,0]=4 219 B11R1.41 CCCc1ccccc1OC 34a_100011217252_200000210301 [1,0,0,0,0,0|3,0,0]=4 220 B11R1.41 CCCc1ccccc1OC 7a_100011217252_200000210301 [1,0,0,0,0,0|3,0,0]=4 221 B11R1.41 CCCc1ccccc1O[13CH3] 34a_100011217252_200025704644 [1,0,0,0,0,0|3,0,0]=4 222 B11R1.41 CCCc1ccccc1O[13CH3] 7a_100011217252_200025704644 [1,0,0,0,0,0|3,0,0]=4 223 B11R1.41 CCNc1ccccc1C#N 34a_100000211148_100000210202 [1,0,0,0,0,0|1,0,2]=4 224 B11R1.41 CCNc1ccccc1CC 2230a_100000212081_100000210202 [1,0,0,0,0,0|2,0,1]=4 225 B11R1.41 CCNc1ccccc1CC 34a_100000212081_100000210202 [1,0,0,0,0,0|2,0,1]=4 226 B11R1.41 CCNc1ccccc1CC 7a_100000212081_100000210202 [1,0,0,0,0,0|2,0,1]=4 227 B11R1.41 CCNc1ccccc1CO 34a_100000212039_100000210202 [1,0,0,0,0,0|1,0,2]=4 228 B11R1.41 CCNc1ccccc1OC 34a_100000210025_100000210202 [1,0,0,0,0,0|3,0,0]=4 229 B11R1.41 CCNc1ccccc1OC 34a_103624766699_200000210301 [1,0,0,0,0,0|3,0,0]=4 230 B11R1.41 CCNc1ccccc1OC 7a_103624766699_200000210301 [1,0,0,0,0,0|3,0,0]=4 231 B11R1.41 CCNc1ccccc1O[13CH3] 34a_103624766699_200025704644 [1,0,0,0,0,0|3,0,0]=4 232 B11R1.41 CCNc1ccccc1O[13CH3] 7a_103624766699_200025704644 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.41 CCNc1ccccc1SC 34a_100000211160_100000210202 [1,0,0,0,0,0|3,0,0]=4 234 B11R1.41 CCNc1ccccc1SC 62a_114873767003_200000210301 [1,0,0,0,0,0|3,0,0]=4 235 B11R1.41 CCNc1ccccc1SC 62a_200000210301_114873767003 [1,0,0,0,0,0|3,0,0]=4 236 B11R1.41 CCNc1ccccc1S[13CH3] 62a_114873767003_200025704644 [1,0,0,0,0,0|3,0,0]=4 237 B11R1.41 CCNc1ccccc1S[13CH3] 62a_200025704644_114873767003 [1,0,0,0,0,0|3,0,0]=4 238 B11R1.41 CCOc1ccccc1C#N 34a_100000211048_100000210202 [1,0,0,0,0,0|0,0,2]=3 239 B11R1.41 CCOc1ccccc1C#N 7a_100000211048_100000210202 [1,0,0,0,0,0|0,0,2]=3 240 B11R1.41 CCOc1ccccc1CC 34a_100000210936_100000210202 [1,0,0,0,0,0|1,0,1]=3 241 B11R1.41 CCOc1ccccc1CC 7a_100000210936_100000210202 [1,0,0,0,0,0|1,0,1]=3 242 B11R1.41 CCOc1ccccc1CN 34a_100000185550_100000210202 [1,0,0,0,0,0|0,0,1]=2 243 B11R1.41 CCOc1ccccc1CO 34a_100011216872_100000210202 [1,0,0,0,0,0|0,0,2]=3 244 B11R1.41 CCOc1ccccc1NC 34a_100000033821_100000210202 [1,0,0,0,0,0|2,0,0]=3 245 B11R1.41 CCOc1ccccc1NC 34a_100000211218_200000210301 [1,0,0,0,0,0|2,0,0]=3 246 B11R1.41 CCOc1ccccc1N[13CH3] 34a_100000211218_200025704644 [1,0,0,0,0,0|2,0,0]=3 247 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [1,0,0,0,0,0|2,0,0]=3 248 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [1,0,0,0,0,0|2,0,0]=3 249 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [1,0,0,0,0,0|2,0,0]=3 250 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [1,0,0,0,0,0|2,0,0]=3 251 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [1,0,0,0,0,0|2,0,0]=3 252 B11R1.41 CCOc1ccccc1SC 34a_100011216402_100000210202 [1,0,0,0,0,0|2,0,0]=3 253 B11R1.41 CCOc1ccccc1SC 62a_100000230754_200000210301 [1,0,0,0,0,0|2,0,0]=3 254 B11R1.41 CCOc1ccccc1SC 62a_200000210301_100000230754 [1,0,0,0,0,0|2,0,0]=3 255 B11R1.41 CCOc1ccccc1S[13CH3] 62a_100000230754_200025704644 [1,0,0,0,0,0|2,0,0]=3 256 B11R1.41 CCOc1ccccc1S[13CH3] 62a_200025704644_100000230754 [1,0,0,0,0,0|2,0,0]=3 257 B11R1.41 CCOc1cccnc1C#N 34a_100000722750_100000210202 [1,0,0,0,0,0|1,0,2]=4 258 B11R1.41 CCOc1cccnc1C#N 7a_100000722750_100000210202 [1,0,0,0,0,0|1,0,2]=4 259 B11R1.41 CCOc1cccnc1CBr 34a_200020655725_100000210202 [1,0,0,0,0,0|2,0,1]=4 260 B11R1.41 CCOc1cccnc1CBr 7a_200020655725_100000210202 [1,0,0,0,0,0|2,0,1]=4 261 B11R1.41 CCOc1cccnc1CO 34a_100000731849_100000210202 [1,0,0,0,0,0|1,0,2]=4 262 B11R1.41 CCOc1cccnc1OC 34a_100000698397_100000210202 [1,0,0,0,0,0|3,0,0]=4 263 B11R1.41 CCOc1cccnc1OC 7a_100000698397_100000210202 [1,0,0,0,0,0|3,0,0]=4 264 B11R1.41 CCOc1cccnc1SC 62a_100011597540_200000210301 [1,0,0,0,0,0|3,0,0]=4 265 B11R1.41 CCOc1cccnc1SC 62a_200000210301_100011597540 [1,0,0,0,0,0|3,0,0]=4 266 B11R1.41 CCOc1cccnc1S[13CH3] 62a_100011597540_200025704644 [1,0,0,0,0,0|3,0,0]=4 267 B11R1.41 CCOc1cccnc1S[13CH3] 62a_200025704644_100011597540 [1,0,0,0,0,0|3,0,0]=4 268 B11R1.41 CCOc1cnccc1C#N 7a_100012181322_100000210202 [1,0,0,0,0,0|1,0,2]=4 269 B11R1.41 CCOc1cnccc1CO 34a_100000078615_100000210202 [1,0,0,0,0,0|1,0,2]=4 270 B11R1.41 CCOc1cnccc1OC 34a_100000101186_100000210202 [1,0,0,0,0,0|3,0,0]=4 271 B11R1.41 CCOc1ncccc1OC 34a_100011998697_200000210301 [1,0,0,0,0,0|3,0,0]=4 272 B11R1.41 CCOc1ncccc1OC 34a_100025773188_100000210202 [1,0,0,0,0,0|3,0,0]=4 273 B11R1.41 CCOc1ncccc1O[13CH3] 34a_100011998697_200025704644 [1,0,0,0,0,0|3,0,0]=4 274 B11R1.41 CCOc1ncccc1SC 62a_100011465154_200000210301 [1,0,0,0,0,0|3,0,0]=4 275 B11R1.41 CCOc1ncccc1SC 62a_200000210301_100011465154 [1,0,0,0,0,0|3,0,0]=4 276 B11R1.41 CCOc1ncccc1S[13CH3] 62a_100011465154_200025704644 [1,0,0,0,0,0|3,0,0]=4 277 B11R1.41 CCOc1ncccc1S[13CH3] 62a_200025704644_100011465154 [1,0,0,0,0,0|3,0,0]=4 278 B11R1.41 CCSc1ccccc1C#N 62a_100000210202_100000188569 [1,0,0,0,0,0|0,1,2]=4 279 B11R1.41 CCSc1ccccc1C=O 62a_100000210073_100000210202 [1,0,0,0,0,0|0,1,0]=2 280 B11R1.41 CCSc1ccccc1C=O 62a_100000210202_100000210073 [1,0,0,0,0,0|0,1,0]=2 281 B11R1.41 CCSc1ccccc1CC 62a_100000210202_100011215823 [1,0,0,0,0,0|1,1,1]=4 282 B11R1.41 CCSc1ccccc1CC 62a_100011215823_100000210202 [1,0,0,0,0,0|1,1,1]=4 283 B11R1.41 CCSc1ccccc1CN 62a_100000210202_100000689332 [1,0,0,0,0,0|0,1,1]=3 284 B11R1.41 CCSc1ccccc1CN 62a_100000689332_100000210202 [1,0,0,0,0,0|0,1,1]=3 285 B11R1.41 CCSc1ccccc1CO 62a_100000187465_100000210202 [1,0,0,0,0,0|0,1,2]=4 286 B11R1.41 CCSc1ccccc1CO 62a_100000210202_100000187465 [1,0,0,0,0,0|0,1,2]=4 287 B11R1.41 CCSc1ccccc1NC 34a_100011223125_200000210301 [1,0,0,0,0,0|2,1,0]=4 288 B11R1.41 CCSc1ccccc1NC 62a_100000210202_100020606079 [1,0,0,0,0,0|2,1,0]=4 289 B11R1.41 CCSc1ccccc1NC 62a_100020606079_100000210202 [1,0,0,0,0,0|2,1,0]=4 290 B11R1.41 CCSc1ccccc1NN 62a_100000210202_100000241748 [1,0,0,0,0,0|1,1,0]=3 291 B11R1.41 CCSc1ccccc1NN 62a_100000241748_100000210202 [1,0,0,0,0,0|1,1,0]=3 292 B11R1.41 CCSc1ccccc1N[13CH3] 34a_100011223125_200025704644 [1,0,0,0,0,0|2,1,0]=4 293 B11R1.41 CCSc1ccccc1OC 62a_100000210202_100000210334 [1,0,0,0,0,0|2,1,0]=4 294 B11R1.41 CCSc1ccccc1OC 62a_100000210334_100000210202 [1,0,0,0,0,0|2,1,0]=4 295 B11R1.41 CCSc1ccccc1SC 62a_100000210202_100011217816 [1,0,0,0,0,0|2,1,0]=4 296 B11R1.41 CCSc1ccccc1SC 62a_100000230856_200000210301 [1,0,0,0,0,0|2,1,0]=4 297 B11R1.41 CCSc1ccccc1SC 62a_100011217816_100000210202 [1,0,0,0,0,0|2,1,0]=4 298 B11R1.41 CCSc1ccccc1SC 62a_200000210301_100000230856 [1,0,0,0,0,0|2,1,0]=4 299 B11R1.41 CCSc1ccccc1S[13CH3] 62a_100000230856_200025704644 [1,0,0,0,0,0|2,1,0]=4 300 B11R1.41 CCSc1ccccc1S[13CH3] 62a_200025704644_100000230856 [1,0,0,0,0,0|2,1,0]=4 301 B11R1.41 CCSc1cccnc1C=O 62a_100000210202_100011934733 [1,0,0,0,0,0|1,1,0]=3 302 B11R1.41 CCSc1cccnc1C=O 62a_100011934733_100000210202 [1,0,0,0,0,0|1,1,0]=3 303 B11R1.41 CCSc1cccnc1CN 62a_100000210202_100020591323 [1,0,0,0,0,0|1,1,1]=4 304 B11R1.41 CCSc1cccnc1CN 62a_100020591323_100000210202 [1,0,0,0,0,0|1,1,1]=4 305 B11R1.41 CCSc1cccnc1NN 62a_100000210202_100011464834 [1,0,0,0,0,0|2,1,0]=4 306 B11R1.41 CCSc1cccnc1NN 62a_100011464834_100000210202 [1,0,0,0,0,0|2,1,0]=4 307 B11R1.41 CCSc1ccncc1C=O 62a_100000050567_100000210202 [1,0,0,0,0,0|1,1,0]=3 308 B11R1.41 CCSc1ccncc1C=O 62a_100000210202_100000050567 [1,0,0,0,0,0|1,1,0]=3 309 B11R1.41 CCSc1cnccc1C=O 62a_100000210202_100011934409 [1,0,0,0,0,0|1,1,0]=3 310 B11R1.41 CCSc1cnccc1C=O 62a_100011934409_100000210202 [1,0,0,0,0,0|1,1,0]=3 311 B11R1.41 CCSc1cnccc1CN 62a_100000210202_100020640021 [1,0,0,0,0,0|1,1,1]=4 312 B11R1.41 CCSc1cnccc1CN 62a_100020640021_100000210202 [1,0,0,0,0,0|1,1,1]=4 313 B11R1.41 CCSc1cnccc1NN 62a_100000210202_100013404636 [1,0,0,0,0,0|2,1,0]=4 314 B11R1.41 CCSc1cnccc1NN 62a_100013404636_100000210202 [1,0,0,0,0,0|2,1,0]=4 315 B11R1.41 CCSc1ncccc1C=O 62a_100000210202_100009816751 [1,0,0,0,0,0|1,1,0]=3 316 B11R1.41 CCSc1ncccc1C=O 62a_100009816751_100000210202 [1,0,0,0,0,0|1,1,0]=3 317 B11R1.41 CCSc1ncccc1CN 62a_100000210202_100015189234 [1,0,0,0,0,0|1,1,1]=4 318 B11R1.41 CCSc1ncccc1CN 62a_100015189234_100000210202 [1,0,0,0,0,0|1,1,1]=4 319 B11R1.41 CCSc1nccnc1C=O 62a_100000051000_100000210202 [1,0,0,0,0,0|2,1,0]=4 320 B11R1.41 CCSc1nccnc1C=O 62a_100000210202_100000051000 [1,0,0,0,0,0|2,1,0]=4 321 B11R1.41 CCc1ccccc1OCF 34a_100000210936_100015361967 [1,0,0,0,0,0|2,0,1]=4 322 B11R1.41 CCc1ccccc1OCF 7a_100000210936_100015361967 [1,0,0,0,0,0|2,0,1]=4 323 B11R1.41 CNCc1ccccc1C=O 2230a_106832991635_200009853537 [1,0,0,0,0,0|2,0,0]=3 324 B11R1.41 CNCc1ccccc1C=O 34a_100102657272_200009853537 [1,0,0,0,0,0|2,0,0]=3 325 B11R1.41 CNCc1ccccc1C=O 7a_106832991635_200009853537 [1,0,0,0,0,0|2,0,0]=3 326 B11R1.41 CNc1ccccc1OCF 34a_100000033821_100015361967 [1,0,0,0,0,0|3,0,0]=4 327 B11R1.41 COCc1ccccc1C=O 34a_100138415774_200009853537 [1,0,0,0,0,0|2,0,0]=3 328 B11R1.41 COCc1ccccc1CN 34a_100000743596_200000210301 [1,0,0,0,0,0|2,0,1]=4 329 B11R1.41 COc1ccccc1OCF 34a_100000210385_100015361967 [1,0,0,0,0,0|3,0,0]=4 330 B11R1.41 CSCc1ccccc1C=O 62a_200000210301_200009853537 [1,0,0,0,0,0|2,0,0]=3 331 B11R1.41 CSCc1ccccc1C=O 62a_200009853537_200000210301 [1,0,0,0,0,0|2,0,0]=3 332 B11R1.41 CSc1ccccc1OCF 34a_100011216402_100015361967 [1,0,0,0,0,0|3,0,0]=4 333 B11R1.41 N#Cc1ccccc1OCF 34a_100000211048_100015361967 [1,0,0,0,0,0|1,0,2]=4 334 B11R1.41 N#Cc1ccccc1OCF 7a_100000211048_100015361967 [1,0,0,0,0,0|1,0,2]=4 335 B11R1.41 NCc1ccccc1OCF 34a_100000185550_100015361967 [1,0,0,0,0,0|1,0,1]=3 336 B11R1.41 NCc1ccccc1SCF 62a_100000689332_100015361967 [1,0,0,0,0,0|1,1,1]=4 337 B11R1.41 NCc1ccccc1SCF 62a_100015361967_100000689332 [1,0,0,0,0,0|1,1,1]=4 338 B11R1.41 NNc1ccccc1SCF 62a_100000241748_100015361967 [1,0,0,0,0,0|2,1,0]=4 339 B11R1.41 NNc1ccccc1SCF 62a_100015361967_100000241748 [1,0,0,0,0,0|2,1,0]=4 340 B11R1.41 O=Cc1ccccc1SCF 62a_100000210073_100015361967 [1,0,0,0,0,0|1,1,0]=3 341 B11R1.41 O=Cc1ccccc1SCF 62a_100015361967_100000210073 [1,0,0,0,0,0|1,1,0]=3 342 B11R1.41 O=Cc1cccnc1SCF 62a_100009816751_100015361967 [1,0,0,0,0,0|2,1,0]=4 343 B11R1.41 O=Cc1cccnc1SCF 62a_100015361967_100009816751 [1,0,0,0,0,0|2,1,0]=4 344 B11R1.41 O=Cc1ccncc1SCF 62a_100011934409_100015361967 [1,0,0,0,0,0|2,1,0]=4 345 B11R1.41 O=Cc1ccncc1SCF 62a_100015361967_100011934409 [1,0,0,0,0,0|2,1,0]=4 346 B11R1.41 O=Cc1cnccc1SCF 62a_100000050567_100015361967 [1,0,0,0,0,0|2,1,0]=4 347 B11R1.41 O=Cc1cnccc1SCF 62a_100015361967_100000050567 [1,0,0,0,0,0|2,1,0]=4 348 B11R1.41 O=Cc1ncccc1SCF 62a_100011934733_100015361967 [1,0,0,0,0,0|2,1,0]=4 349 B11R1.41 O=Cc1ncccc1SCF 62a_100015361967_100011934733 [1,0,0,0,0,0|2,1,0]=4 350 B11R1.41 OCc1ccccc1OCF 34a_100011216872_100015361967 [1,0,0,0,0,0|1,0,2]=4 351 B11R1.41 [13CH3]OCc1ccccc1CN 34a_100000743596_200025704644 [1,0,0,0,0,0|2,0,1]=4 352 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200009853537_200025704644 [1,0,0,0,0,0|2,0,0]=3 353 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200025704644_200009853537 [1,0,0,0,0,0|2,0,0]=3 354 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [1,0,0,0,0,0|1,0,2]=4 355 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [1,0,0,0,0,0|1,0,2]=4 356 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [1,0,0,0,0,0|2,0,0]=3 357 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [1,0,0,0,0,0|3,0,0]=4 358 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [1,0,0,0,0,0|3,0,0]=4 359 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [1,0,0,0,0,0|3,0,0]=4 360 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [1,0,0,0,0,0|3,0,0]=4 361 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [1,0,0,0,0,0|3,0,0]=4 362 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [1,0,0,0,0,0|2,0,0]=3 363 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [1,0,0,0,0,0|2,1,0]=4 364 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [1,0,0,0,0,0|3,0,0]=4 365 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [1,0,0,0,0,0|3,0,0]=4 366 B11R1.53 C=C(C)c1ccncc1CC 271570a_100000694244_100025704421 [1,0,0,0,0,0|3,0,0]=4 367 B11R1.53 C=C(C)c1ccncc1OC 271570a_100000694244_100016988167 [1,0,0,0,0,0|3,0,0]=4 368 B11R1.53 C=C(C)c1cnccc1CC 271570a_100000694244_100009819861 [1,0,0,0,0,0|3,0,0]=4 369 B11R1.53 C=C(C)c1cnccc1OC 271570a_100000694244_100011997281 [1,0,0,0,0,0|3,0,0]=4 370 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [1,0,0,0,0,0|3,0,0]=4 371 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [1,0,0,0,0,0|1,0,2]=4 372 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [1,0,0,0,0,0|1,0,2]=4 373 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [1,0,0,0,0,0|0,0,2]=3 374 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [1,0,0,0,0,0|1,0,2]=4 375 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [1,0,0,0,0,0|1,0,2]=4 376 B11R1.53 C=Cc1ccncc1C(=O)N 271570a_100011290941_100000697804 [1,0,0,0,0,0|1,0,2]=4 377 B11R1.53 C=Cc1cnccc1C(=O)N 271570a_100011290941_100010205435 [1,0,0,0,0,0|1,0,2]=4 378 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [1,0,0,0,0,0|1,0,2]=4 379 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [1,0,0,0,0,0|2,0,1]=4 380 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [1,0,0,0,0,0|2,0,0]=3 381 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [1,0,0,0,0,0|3,0,0]=4 382 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [1,0,0,0,0,0|1,1,0]=3 383 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [1,0,0,0,0,0|2,1,0]=4 384 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [1,0,0,0,0,0|2,1,0]=4 385 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [1,0,0,0,0,0|2,0,0]=3 386 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [1,0,0,0,0,0|2,1,0]=4 387 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [1,0,0,0,0,0|2,1,0]=4 388 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [1,0,0,0,0,0|2,1,0]=4 389 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [1,0,0,0,0,0|2,1,0]=4 390 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [1,0,0,0,0,0|2,0,0]=3 391 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [1,0,0,0,0,0|2,0,0]=3 392 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [1,0,0,0,0,0|2,1,0]=4 393 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [1,0,0,0,0,0|2,1,0]=4 394 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [1,0,0,0,0,0|2,0,1]=4 395 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [1,0,0,0,0,0|2,0,1]=4 396 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_100000181357_200025704644 [1,0,0,0,0,0|1,1,1]=4 397 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_200025704644_100000181357 [1,0,0,0,0,0|1,1,1]=4 398 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [1,0,0,0,0,0|1,0,2]=4 399 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [1,0,0,0,0,0|1,0,2]=4 400 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [1,0,0,0,0,0|1,0,0]=2 401 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [1,0,0,0,0,0|1,0,0]=2 402 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [1,0,0,0,0,0|1,0,0]=2 403 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [1,0,0,0,0,0|2,0,0]=3 404 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [1,0,0,0,0,0|3,0,0]=4 405 B11R1.53 CNc1ccncc1C(=O)N 27a_100102657272_100000697804 [1,0,0,0,0,0|2,0,0]=3 406 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [1,0,0,0,0,0|3,0,0]=4 407 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [1,0,0,0,0,0|2,0,0]=3 408 B11R1.53 CNc1nccnc1C(=O)N 27a_100102657272_100000094861 [1,0,0,0,0,0|3,0,0]=4 409 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [1,0,0,0,0,0|1,0,0]=2 410 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [1,0,0,0,0,0|0,0,0]=1 411 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [1,0,0,0,0,0|0,0,0]=1 412 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [1,0,0,0,0,0|1,0,0]=2 413 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [1,0,0,0,0,0|1,0,0]=2 414 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [1,0,0,0,0,0|0,1,0]=2 415 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [1,0,0,0,0,0|2,0,1]=4 416 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [1,0,0,0,0,0|2,0,1]=4 417 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [1,0,0,0,0,0|1,0,2]=4 418 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [1,0,0,0,0,0|1,0,2]=4 419 B11R1.53 COc1ccccc1N(C)C 2230a_100000219746_200000210301 [1,0,0,0,0,0|3,0,0]=4 420 B11R1.53 COc1ccccc1N(C)C 269982a_100000219746_200000210301 [1,0,0,0,0,0|3,0,0]=4 421 B11R1.53 COc1ccccc1N(C)C 34a_100000219746_200000210301 [1,0,0,0,0,0|3,0,0]=4 422 B11R1.53 COc1ccccc1N(C)[13CH3] 2230a_100000219746_200025704644 [1,0,0,0,0,0|3,0,0]=4 423 B11R1.53 COc1ccccc1N(C)[13CH3] 269982a_100000219746_200025704644 [1,0,0,0,0,0|3,0,0]=4 424 B11R1.53 COc1ccccc1N(C)[13CH3] 34a_100000219746_200025704644 [1,0,0,0,0,0|3,0,0]=4 425 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [1,0,0,0,0,0|1,0,1]=3 426 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [1,0,0,0,0,0|2,0,0]=3 427 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [1,0,0,0,0,0|2,0,0]=3 428 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [1,0,0,0,0,0|2,0,0]=3 429 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [1,0,0,0,0,0|2,0,0]=3 430 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [1,0,0,0,0,0|1,0,0]=2 431 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [1,0,0,0,0,0|1,0,0]=2 432 B11R1.53 COc1cccnc1[N+](=O)[O-] 7a_100000183951_200000210301 [1,0,0,0,0,0|3,0,0]=4 433 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [1,0,0,0,0,0|1,0,0]=2 434 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [1,0,0,0,0,0|2,0,0]=3 435 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [1,0,0,0,0,0|1,0,0]=2 436 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [1,0,0,0,0,0|2,0,0]=3 437 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [1,0,0,0,0,0|2,1,0]=4 438 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [1,0,0,0,0,0|1,1,0]=3 439 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [1,0,0,0,0,0|1,1,0]=3 440 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [1,0,0,0,0,0|0,1,0]=2 441 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [1,0,0,0,0,0|0,1,0]=2 442 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [1,0,0,0,0,0|1,1,0]=3 443 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [1,0,0,0,0,0|1,1,0]=3 444 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [1,0,0,0,0,0|1,1,0]=3 445 B11R1.53 CSc1ccccc1C(C)N 62a_100000181357_200000210301 [1,0,0,0,0,0|1,1,1]=4 446 B11R1.53 CSc1ccccc1C(C)N 62a_200000210301_100000181357 [1,0,0,0,0,0|1,1,1]=4 447 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [1,0,0,0,0,0|2,1,0]=4 448 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [1,0,0,0,0,0|2,1,0]=4 449 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [1,0,0,0,0,0|2,1,0]=4 450 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [1,0,0,0,0,0|1,1,0]=3 451 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [1,0,0,0,0,0|1,1,0]=3 452 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [1,0,0,0,0,0|2,1,0]=4 453 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [1,0,0,0,0,0|2,1,0]=4 454 B11R1.53 CSc1ccncc1C(=O)N 62a_100000697804_200000210301 [1,0,0,0,0,0|1,1,0]=3 455 B11R1.53 CSc1ccncc1C(=O)N 62a_200000210301_100000697804 [1,0,0,0,0,0|1,1,0]=3 456 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [1,0,0,0,0,0|2,1,0]=4 457 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [1,0,0,0,0,0|2,1,0]=4 458 B11R1.53 CSc1cnccc1C(=O)N 62a_100010205435_200000210301 [1,0,0,0,0,0|1,1,0]=3 459 B11R1.53 CSc1cnccc1C(=O)N 62a_200000210301_100010205435 [1,0,0,0,0,0|1,1,0]=3 460 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [1,0,0,0,0,0|2,1,0]=4 461 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [1,0,0,0,0,0|2,1,0]=4 462 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [1,0,0,0,0,0|1,1,0]=3 463 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [1,0,0,0,0,0|1,1,0]=3 464 B11R1.53 CSc1nccnc1C(=O)N 62a_100000094861_200000210301 [1,0,0,0,0,0|2,1,0]=4 465 B11R1.53 CSc1nccnc1C(=O)N 62a_200000210301_100000094861 [1,0,0,0,0,0|2,1,0]=4 466 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [1,0,0,0,0,0|1,0,1]=3 467 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [1,0,0,0,0,0|2,0,1]=4 468 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [1,0,0,0,0,0|2,0,0]=3 469 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [1,0,0,0,0,0|3,0,0]=4 470 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [1,0,0,0,0,0|1,0,0]=2 471 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [1,0,0,0,0,0|0,0,0]=1 472 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [1,0,0,0,0,0|0,0,0]=1 473 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [1,0,0,0,0,0|1,0,0]=2 474 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [1,0,0,0,0,0|0,1,0]=2 475 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [1,0,0,0,0,0|2,0,0]=3 476 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [1,0,0,0,0,0|2,0,0]=3 477 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [1,0,0,0,0,0|1,0,0]=2 478 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [1,0,0,0,0,0|1,0,0]=2 479 B11R1.53 [13CH3]Oc1cccnc1[N+](=O)[O-] 7a_100000183951_200025704644 [1,0,0,0,0,0|3,0,0]=4 480 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [1,0,0,0,0,0|1,0,0]=2 481 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [1,0,0,0,0,0|1,0,0]=2 482 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [1,0,0,0,0,0|2,0,0]=3 483 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [1,0,0,0,0,0|0,1,0]=2 484 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [1,0,0,0,0,0|0,1,0]=2 485 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [1,0,0,0,0,0|1,1,0]=3 486 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [1,0,0,0,0,0|1,1,0]=3 487 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [1,0,0,0,0,0|1,1,0]=3 488 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [1,0,0,0,0,0|1,1,0]=3 489 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_100000697804_200025704644 [1,0,0,0,0,0|1,1,0]=3 490 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_200025704644_100000697804 [1,0,0,0,0,0|1,1,0]=3 491 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_100010205435_200025704644 [1,0,0,0,0,0|1,1,0]=3 492 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_200025704644_100010205435 [1,0,0,0,0,0|1,1,0]=3 493 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [1,0,0,0,0,0|1,1,0]=3 494 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [1,0,0,0,0,0|1,1,0]=3 495 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_100000094861_200025704644 [1,0,0,0,0,0|2,1,0]=4 496 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_200025704644_100000094861 [1,0,0,0,0,0|2,1,0]=4 497 B13R1.141 C=C(C)c1cc(ccc1NCC)F 34a_100009961556_100000210202 [0,1,0,0,0,0|3,0,0]=4 498 B13R1.141 C=C(C)c1cc(ccc1OCC)C 271570a_100000694244_200000230997 [0,1,0,0,0,0|2,0,0]=3 499 B13R1.141 C=C(C)c1cc(ccc1OCC)F 271570a_100000694244_100000171695 [0,1,0,0,0,0|2,0,0]=3 500 B13R1.141 C=C(C)c1cc(cnc1OCC)Br 271570a_100000694244_200010177599 [0,1,0,0,0,0|3,0,0]=4 501 B13R1.141 C=C=Cc1ccc(cc1C(=O)N)Br 271570a_100015277604_200000162314 [0,1,0,0,0,0|1,0,2]=4 502 B13R1.141 C=C=Cc1ccc(cc1C(=O)N)C 271570a_100015277604_200012349609 [0,1,0,0,0,0|1,0,2]=4 503 B13R1.141 C=C=Cc1ccc(cc1C(=O)N)F 271570a_100015277604_100000206434 [0,1,0,0,0,0|1,0,2]=4 504 B13R1.141 C=C=Cc1ccc(cc1C(=O)N)N 271570a_100015277604_100015186447 [0,1,0,0,0,0|1,0,2]=4 505 B13R1.141 CC(=O)c1cc(ccc1OCF)Br 34a_100000212127_100015361967 [0,1,0,0,0,0|2,0,0]=3 506 B13R1.141 CC(=O)c1cc(ccc1OCF)Br 7a_100000212127_100015361967 [0,1,0,0,0,0|2,0,0]=3 507 B13R1.141 CC(=O)c1cc(ccc1OCF)C 34a_100000195442_100015361967 [0,1,0,0,0,0|2,0,0]=3 508 B13R1.141 CC(=O)c1cc(ccc1OCF)C 7a_100000195442_100015361967 [0,1,0,0,0,0|2,0,0]=3 509 B13R1.141 CC(=O)c1cc(ccc1OCF)Cl 34a_100000185566_100015361967 [0,1,0,0,0,0|2,0,0]=3 510 B13R1.141 CC(=O)c1cc(ccc1OCF)Cl 7a_100000185566_100015361967 [0,1,0,0,0,0|2,0,0]=3 511 B13R1.141 CC(=O)c1cc(ccc1OCF)F 7a_100000182812_100015361967 [0,1,0,0,0,0|2,0,0]=3 512 B13R1.141 CC(=O)c1cc(ccc1OCF)I 7a_100010712555_100015361967 [0,1,0,0,0,0|2,0,0]=3 513 B13R1.141 CC(=O)c1cc(ccc1OCF)N 34a_100011218865_100015361967 [0,1,0,0,0,0|2,0,0]=3 514 B13R1.141 CC(=O)c1cc(ccc1SCF)Br 62a_100012349576_100015361967 [0,1,0,0,0,0|2,1,0]=4 515 B13R1.141 CC(=O)c1cc(ccc1SCF)C 62a_100012361225_100015361967 [0,1,0,0,0,0|2,1,0]=4 516 B13R1.141 CC(=O)c1cc(ccc1SCF)C 62a_100015361967_100012361225 [0,1,0,0,0,0|2,1,0]=4 517 B13R1.141 CC(=O)c1cc(ccc1SCF)F 62a_100012353695_100015361967 [0,1,0,0,0,0|2,1,0]=4 518 B13R1.141 CC(=O)c1cc(ccc1SCF)F 62a_100015361967_100010200798 [0,1,0,0,0,0|2,1,0]=4 519 B13R1.141 CC(=O)c1cc(ccc1SCF)N 62a_100012349454_100015361967 [0,1,0,0,0,0|2,1,0]=4 520 B13R1.141 CC=Cc1ccc(cc1C(=O)C)Br 271570a_100016259895_100012349576 [0,1,0,0,0,0|2,0,1]=4 521 B13R1.141 CC=Cc1ccc(cc1C(=O)C)C 271570a_100016259895_100012361225 [0,1,0,0,0,0|2,0,1]=4 522 B13R1.141 CC=Cc1ccc(cc1C(=O)C)F 271570a_100016259895_100012353695 [0,1,0,0,0,0|2,0,1]=4 523 B13R1.141 CC=Cc1ccc(cc1C(=O)C)N 271570a_100016259895_100012349454 [0,1,0,0,0,0|2,0,1]=4 524 B13R1.141 CC=Cc1ccc(cc1C(=O)N)Br 271570a_100016259895_200000162314 [0,1,0,0,0,0|1,0,1]=3 525 B13R1.141 CC=Cc1ccc(cc1C(=O)N)C 271570a_100016259895_200012349609 [0,1,0,0,0,0|1,0,1]=3 526 B13R1.141 CC=Cc1ccc(cc1C(=O)N)F 271570a_100016259895_100000206434 [0,1,0,0,0,0|1,0,1]=3 527 B13R1.141 CC=Cc1ccc(cc1C(=O)N)N 271570a_100016259895_100015186447 [0,1,0,0,0,0|1,0,1]=3 528 B13R1.141 CC=Cc1ncc(cc1C(=O)N)F 271570a_100016259895_100012183597 [0,1,0,0,0,0|2,0,1]=4 529 B13R1.141 CCNc1ccc(cc1C(=O)N)Br 27a_100015525214_200000162314 [0,1,0,0,0,0|1,0,0]=2 530 B13R1.141 CCNc1ccc(cc1C(=O)N)Br 34a_100000740421_100000210202 [0,1,0,0,0,0|1,0,0]=2 531 B13R1.141 CCNc1ccc(cc1C(=O)N)Br 7a_100000740421_100000210202 [0,1,0,0,0,0|1,0,0]=2 532 B13R1.141 CCNc1ccc(cc1C(=O)N)C 34a_100011692829_100000210202 [0,1,0,0,0,0|1,0,0]=2 533 B13R1.141 CCNc1ccc(cc1C(=O)N)Cl 34a_100000743835_100000210202 [0,1,0,0,0,0|1,0,0]=2 534 B13R1.141 CCNc1ccc(cc1C(=O)N)Cl 7a_100000743835_100000210202 [0,1,0,0,0,0|1,0,0]=2 535 B13R1.141 CCNc1ccc(cc1C(=O)N)F 34a_100000741173_100000210202 [0,1,0,0,0,0|1,0,0]=2 536 B13R1.141 CCNc1ccc(cc1C(=O)N)F 7a_100000741173_100000210202 [0,1,0,0,0,0|1,0,0]=2 537 B13R1.141 CCNc1ccc(cc1[N+](=O)[O-])F 34a_100000187532_100000210202 [0,1,0,0,0,0|3,0,0]=4 538 B13R1.141 CCNc1ncc(cc1C(=O)N)F 27a_100015525214_100012183597 [0,1,0,0,0,0|2,0,0]=3 539 B13R1.141 CCOc1cc[n+](cc1[N+](=O)[O-])[O-] 7a_100000047301_100000210202 [0,1,0,0,0,0|3,0,0]=4 540 B13R1.141 CCOc1ccc(cc1B(O)O)O 271570a_203496583355_100009814738 [0,1,0,0,0,0|2,0,1]=4 541 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 1458a_200000215690_200000210301 [0,1,0,0,0,0|1,0,0]=2 542 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 34a_100000212127_100000210202 [0,1,0,0,0,0|1,0,0]=2 543 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 7a_100000212127_100000210202 [0,1,0,0,0,0|1,0,0]=2 544 B13R1.141 CCOc1ccc(cc1C(=O)C)C 34a_100000195442_100000210202 [0,1,0,0,0,0|1,0,0]=2 545 B13R1.141 CCOc1ccc(cc1C(=O)C)C 7a_100000195442_100000210202 [0,1,0,0,0,0|1,0,0]=2 546 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 1458a_200000215692_200000210301 [0,1,0,0,0,0|1,0,0]=2 547 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 34a_100000185566_100000210202 [0,1,0,0,0,0|1,0,0]=2 548 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 7a_100000185566_100000210202 [0,1,0,0,0,0|1,0,0]=2 549 B13R1.141 CCOc1ccc(cc1C(=O)C)F 7a_100000182812_100000210202 [0,1,0,0,0,0|1,0,0]=2 550 B13R1.141 CCOc1ccc(cc1C(=O)C)I 7a_100010712555_100000210202 [0,1,0,0,0,0|1,0,0]=2 551 B13R1.141 CCOc1ccc(cc1C(=O)C)N 34a_100011218865_100000210202 [0,1,0,0,0,0|1,0,0]=2 552 B13R1.141 CCOc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173016 [0,1,0,0,0,0|1,0,0]=2 553 B13R1.141 CCOc1ccc(cc1C(=O)N)Br 34a_100000192807_100000210202 [0,1,0,0,0,0|0,0,0]=1 554 B13R1.141 CCOc1ccc(cc1C(=O)N)Br 7a_100000192807_100000210202 [0,1,0,0,0,0|0,0,0]=1 555 B13R1.141 CCOc1ccc(cc1C(=O)N)C 34a_200000192840_100000210202 [0,1,0,0,0,0|0,0,0]=1 556 B13R1.141 CCOc1ccc(cc1C(=O)N)C 7a_200000192840_100000210202 [0,1,0,0,0,0|0,0,0]=1 557 B13R1.141 CCOc1ccc(cc1C(=O)N)Cl 34a_100000185026_100000210202 [0,1,0,0,0,0|0,0,0]=1 558 B13R1.141 CCOc1ccc(cc1C(=O)N)Cl 7a_100000185026_100000210202 [0,1,0,0,0,0|0,0,0]=1 559 B13R1.141 CCOc1ccc(cc1C(=O)N)F 34a_100012186459_100000210202 [0,1,0,0,0,0|0,0,0]=1 560 B13R1.141 CCOc1ccc(cc1C(=O)N)F 7a_100012186459_100000210202 [0,1,0,0,0,0|0,0,0]=1 561 B13R1.141 CCOc1ccc(cc1C(=O)N)I 34a_100000192813_100000210202 [0,1,0,0,0,0|0,0,0]=1 562 B13R1.141 CCOc1ccc(cc1C(=O)N)I 7a_100000192813_100000210202 [0,1,0,0,0,0|0,0,0]=1 563 B13R1.141 CCOc1ccc(cc1C(=O)[13CH3])Br 1458a_200000215690_200025704644 [0,1,0,0,0,0|1,0,0]=2 564 B13R1.141 CCOc1ccc(cc1C(=O)[13CH3])Cl 1458a_200000215692_200025704644 [0,1,0,0,0,0|1,0,0]=2 565 B13R1.141 CCOc1ccc(cc1C(C)C)Br 34a_100000691460_100000210202 [0,1,0,0,0,0|2,0,1]=4 566 B13R1.141 CCOc1ccc(cc1C(C)C)Br 7a_100000691460_100000210202 [0,1,0,0,0,0|2,0,1]=4 567 B13R1.141 CCOc1ccc(cc1C(C)O)F 34a_200011305312_100000210202 [0,1,0,0,0,0|1,0,2]=4 568 B13R1.141 CCOc1ccc(cc1C(C)O)F 7a_200011305312_100000210202 [0,1,0,0,0,0|1,0,2]=4 569 B13R1.141 CCOc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_100000210202 [0,1,0,0,0,0|1,0,1]=3 570 B13R1.141 CCOc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_100000210202 [0,1,0,0,0,0|1,0,1]=3 571 B13R1.141 CCOc1ccc(cc1[C@H](C)N)F 34a_100160469477_100000210202 [0,1,0,0,0,0|1,0,1]=3 572 B13R1.141 CCOc1ccc(cc1[C@H](C)N)F 7a_100160469477_100000210202 [0,1,0,0,0,0|1,0,1]=3 573 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_100000210202 [0,1,0,0,0,0|2,0,0]=3 574 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_100000210202 [0,1,0,0,0,0|2,0,0]=3 575 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])C 34a_100000195567_100000210202 [0,1,0,0,0,0|2,0,0]=3 576 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])C 7a_100000195567_100000210202 [0,1,0,0,0,0|2,0,0]=3 577 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_100000210202 [0,1,0,0,0,0|2,0,0]=3 578 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_100000210202 [0,1,0,0,0,0|2,0,0]=3 579 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_100000210202 [0,1,0,0,0,0|2,0,0]=3 580 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_100000210202 [0,1,0,0,0,0|2,0,0]=3 581 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_100000210202 [0,1,0,0,0,0|2,0,0]=3 582 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_100000210202 [0,1,0,0,0,0|2,0,0]=3 583 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_100000210202 [0,1,0,0,0,0|2,0,0]=3 584 B13R1.141 CCOc1ccc(nc1[N+](=O)[O-])Br 7a_100000684561_100000210202 [0,1,0,0,0,0|3,0,0]=4 585 B13R1.141 CCOc1ccc(nc1[N+](=O)[O-])C 7a_100000211580_100000210202 [0,1,0,0,0,0|3,0,0]=4 586 B13R1.141 CCOc1ccc(nc1[N+](=O)[O-])Cl 7a_100000094143_100000210202 [0,1,0,0,0,0|3,0,0]=4 587 B13R1.141 CCSc1ccc(cc1C(=O)C)Br 62a_100012349576_100000210202 [0,1,0,0,0,0|1,1,0]=3 588 B13R1.141 CCSc1ccc(cc1C(=O)C)C 62a_100000210202_100012361225 [0,1,0,0,0,0|1,1,0]=3 589 B13R1.141 CCSc1ccc(cc1C(=O)C)C 62a_100012361225_100000210202 [0,1,0,0,0,0|1,1,0]=3 590 B13R1.141 CCSc1ccc(cc1C(=O)C)F 62a_100000210202_100010200798 [0,1,0,0,0,0|1,1,0]=3 591 B13R1.141 CCSc1ccc(cc1C(=O)C)F 62a_100012353695_100000210202 [0,1,0,0,0,0|1,1,0]=3 592 B13R1.141 CCSc1ccc(cc1C(=O)C)N 62a_100012349454_100000210202 [0,1,0,0,0,0|1,1,0]=3 593 B13R1.141 CCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100000210202 [0,1,0,0,0,0|0,1,0]=2 594 B13R1.141 CCSc1ccc(cc1C(=O)N)C 62a_100000210202_200012349609 [0,1,0,0,0,0|0,1,0]=2 595 B13R1.141 CCSc1ccc(cc1C(=O)N)C 62a_200012349609_100000210202 [0,1,0,0,0,0|0,1,0]=2 596 B13R1.141 CCSc1ccc(cc1C(=O)N)F 62a_100000206434_100000210202 [0,1,0,0,0,0|0,1,0]=2 597 B13R1.141 CCSc1ccc(cc1C(=O)N)F 62a_100000210202_100000206434 [0,1,0,0,0,0|0,1,0]=2 598 B13R1.141 CCSc1ccc(cc1C(=O)N)N 62a_100015186447_100000210202 [0,1,0,0,0,0|0,1,0]=2 599 B13R1.141 CCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210202 [0,1,0,0,0,0|1,1,0]=3 600 B13R1.141 CCSc1ccc(cc1C(C)N)F 62a_100000210202_100012343209 [0,1,0,0,0,0|1,1,1]=4 601 B13R1.141 CCSc1ccc(cc1C(C)N)F 62a_100012343209_100000210202 [0,1,0,0,0,0|1,1,1]=4 602 B13R1.141 CCSc1ncc(cc1C(=O)C)F 62a_100000118324_100000210202 [0,1,0,0,0,0|2,1,0]=4 603 B13R1.141 CCSc1ncc(cc1C(=O)C)F 62a_100000210202_100000118324 [0,1,0,0,0,0|2,1,0]=4 604 B13R1.141 CCSc1ncc(cc1C(=O)N)F 62a_100000210202_100012183597 [0,1,0,0,0,0|1,1,0]=3 605 B13R1.141 CCSc1ncc(cc1C(=O)N)F 62a_100012183597_100000210202 [0,1,0,0,0,0|1,1,0]=3 606 B13R1.141 CNCc1ccc(cc1C(=O)C)Br 26a_100102657272_100000212127 [0,1,0,0,0,0|3,0,0]=4 607 B13R1.141 C[C@@H](N)c1cc(ccc1OCF)Cl 34a_100011853016_100015361967 [0,1,0,0,0,0|2,0,1]=4 608 B13R1.141 C[C@@H](N)c1cc(ccc1OCF)Cl 7a_100011853016_100015361967 [0,1,0,0,0,0|2,0,1]=4 609 B13R1.141 C[C@H](N)c1cc(ccc1OCF)F 34a_100160469477_100015361967 [0,1,0,0,0,0|2,0,1]=4 610 B13R1.141 C[C@H](N)c1cc(ccc1OCF)F 7a_100160469477_100015361967 [0,1,0,0,0,0|2,0,1]=4 611 B13R1.141 Cc1ccc(c(c1)C(=O)N)NCF 34a_100011692829_100015361967 [0,1,0,0,0,0|2,0,0]=3 612 B13R1.141 Cc1ccc(c(c1)C(=O)N)OCF 34a_200000192840_100015361967 [0,1,0,0,0,0|1,0,0]=2 613 B13R1.141 Cc1ccc(c(c1)C(=O)N)OCF 7a_200000192840_100015361967 [0,1,0,0,0,0|1,0,0]=2 614 B13R1.141 Cc1ccc(c(c1)C(=O)N)SCF 62a_100015361967_200012349609 [0,1,0,0,0,0|1,1,0]=3 615 B13R1.141 Cc1ccc(c(c1)C(=O)N)SCF 62a_200012349609_100015361967 [0,1,0,0,0,0|1,1,0]=3 616 B13R1.141 Cc1ccc(c(c1)[N+](=O)[O-])OCF 34a_100000195567_100015361967 [0,1,0,0,0,0|3,0,0]=4 617 B13R1.141 Cc1ccc(c(c1)[N+](=O)[O-])OCF 7a_100000195567_100015361967 [0,1,0,0,0,0|3,0,0]=4 618 B13R1.141 NC(=O)c1cc(ccc1NCF)Br 34a_100000740421_100015361967 [0,1,0,0,0,0|2,0,0]=3 619 B13R1.141 NC(=O)c1cc(ccc1NCF)Br 7a_100000740421_100015361967 [0,1,0,0,0,0|2,0,0]=3 620 B13R1.141 NC(=O)c1cc(ccc1NCF)Cl 34a_100000743835_100015361967 [0,1,0,0,0,0|2,0,0]=3 621 B13R1.141 NC(=O)c1cc(ccc1NCF)Cl 7a_100000743835_100015361967 [0,1,0,0,0,0|2,0,0]=3 622 B13R1.141 NC(=O)c1cc(ccc1NCF)F 34a_100000741173_100015361967 [0,1,0,0,0,0|2,0,0]=3 623 B13R1.141 NC(=O)c1cc(ccc1NCF)F 7a_100000741173_100015361967 [0,1,0,0,0,0|2,0,0]=3 624 B13R1.141 NC(=O)c1cc(ccc1OCF)Br 34a_100000192807_100015361967 [0,1,0,0,0,0|1,0,0]=2 625 B13R1.141 NC(=O)c1cc(ccc1OCF)Br 7a_100000192807_100015361967 [0,1,0,0,0,0|1,0,0]=2 626 B13R1.141 NC(=O)c1cc(ccc1OCF)Cl 34a_100000185026_100015361967 [0,1,0,0,0,0|1,0,0]=2 627 B13R1.141 NC(=O)c1cc(ccc1OCF)Cl 7a_100000185026_100015361967 [0,1,0,0,0,0|1,0,0]=2 628 B13R1.141 NC(=O)c1cc(ccc1OCF)F 34a_100012186459_100015361967 [0,1,0,0,0,0|1,0,0]=2 629 B13R1.141 NC(=O)c1cc(ccc1OCF)F 7a_100012186459_100015361967 [0,1,0,0,0,0|1,0,0]=2 630 B13R1.141 NC(=O)c1cc(ccc1OCF)I 34a_100000192813_100015361967 [0,1,0,0,0,0|1,0,0]=2 631 B13R1.141 NC(=O)c1cc(ccc1OCF)I 7a_100000192813_100015361967 [0,1,0,0,0,0|1,0,0]=2 632 B13R1.141 NC(=O)c1cc(ccc1SCF)Br 62a_200000162314_100015361967 [0,1,0,0,0,0|1,1,0]=3 633 B13R1.141 NC(=O)c1cc(ccc1SCF)F 62a_100000206434_100015361967 [0,1,0,0,0,0|1,1,0]=3 634 B13R1.141 NC(=O)c1cc(ccc1SCF)F 62a_100015361967_100000206434 [0,1,0,0,0,0|1,1,0]=3 635 B13R1.141 NC(=O)c1cc(ccc1SCF)N 62a_100015186447_100015361967 [0,1,0,0,0,0|1,1,0]=3 636 B13R1.141 NC(=O)c1cc(cnc1SCF)F 62a_100012183597_100015361967 [0,1,0,0,0,0|2,1,0]=4 637 B13R1.141 NC(=O)c1cc(cnc1SCF)F 62a_100015361967_100012183597 [0,1,0,0,0,0|2,1,0]=4 638 B13R1.141 Nc1ccc(c(c1)[N+](=O)[O-])OCF 34a_100000032192_100015361967 [0,1,0,0,0,0|3,0,0]=4 639 B13R1.141 Nc1ccc(c(c1)[N+](=O)[O-])OCF 7a_100000032192_100015361967 [0,1,0,0,0,0|3,0,0]=4 640 B13R1.141 O=C(O)c1cc(ccc1SCF)Br 62a_100011072988_100015361967 [0,1,0,0,0,0|2,1,0]=4 641 B13R1.141 O=[N+]([O-])c1cc(ccc1OCF)Br 34a_100000757407_100015361967 [0,1,0,0,0,0|3,0,0]=4 642 B13R1.141 O=[N+]([O-])c1cc(ccc1OCF)Br 7a_100000757407_100015361967 [0,1,0,0,0,0|3,0,0]=4 643 B13R1.141 O=[N+]([O-])c1cc(ccc1OCF)Cl 34a_100000212152_100015361967 [0,1,0,0,0,0|3,0,0]=4 644 B13R1.141 O=[N+]([O-])c1cc(ccc1OCF)Cl 7a_100000212152_100015361967 [0,1,0,0,0,0|3,0,0]=4 645 B13R1.141 O=[N+]([O-])c1cc(ccc1OCF)F 34a_100000748789_100015361967 [0,1,0,0,0,0|3,0,0]=4 646 B13R1.141 O=[N+]([O-])c1cc(ccc1OCF)F 7a_100000748789_100015361967 [0,1,0,0,0,0|3,0,0]=4 647 B13R1.141 O=[N+]([O-])c1cc(ccc1OCF)I 7a_100000698543_100015361967 [0,1,0,0,0,0|3,0,0]=4 648 B13R1.356 C=C(C)c1ccc(cc1OCC)C 271570a_100000694244_200010713166 [0,1,0,0,0,0|2,0,0]=3 649 B13R1.356 C=C(C)c1ccc(cc1OCC)F 271570a_100000694244_200012340411 [0,1,0,0,0,0|2,0,0]=3 650 B13R1.356 C=C(C)c1ccc(cc1OCC)N 271570a_100000694244_200016990551 [0,1,0,0,0,0|2,0,0]=3 651 B13R1.356 C=C=Cc1cc(ccc1C(=O)N)Br 271570a_100015277604_100009815748 [0,1,0,0,0,0|1,0,2]=4 652 B13R1.356 C=C=Cc1cc(ccc1C(=O)N)F 271570a_100015277604_100000206404 [0,1,0,0,0,0|1,0,2]=4 653 B13R1.356 CC(=O)c1ccc(cc1OCF)Br 7a_100000188348_100015361967 [0,1,0,0,0,0|2,0,0]=3 654 B13R1.356 CC(=O)c1ccc(cc1OCF)C 34a_100000234885_100015361967 [0,1,0,0,0,0|2,0,0]=3 655 B13R1.356 CC(=O)c1ccc(cc1OCF)C 7a_100000234885_100015361967 [0,1,0,0,0,0|2,0,0]=3 656 B13R1.356 CC(=O)c1ccc(cc1OCF)Cl 34a_100000061402_100015361967 [0,1,0,0,0,0|2,0,0]=3 657 B13R1.356 CC(=O)c1ccc(cc1OCF)Cl 7a_100000061402_100015361967 [0,1,0,0,0,0|2,0,0]=3 658 B13R1.356 CC(=O)c1ccc(cc1OCF)F 7a_100011215782_100015361967 [0,1,0,0,0,0|2,0,0]=3 659 B13R1.356 CC(=O)c1ccc(cc1SCF)C 62a_100012353930_100015361967 [0,1,0,0,0,0|2,1,0]=4 660 B13R1.356 CC(=O)c1ccc(cc1SCF)C 62a_100015361967_100012353930 [0,1,0,0,0,0|2,1,0]=4 661 B13R1.356 CC(=O)c1ccc(cc1SCF)F 62a_100000686192_100015361967 [0,1,0,0,0,0|2,1,0]=4 662 B13R1.356 CC(=O)c1ccc(cc1SCF)O 62a_100012340537_100015361967 [0,1,0,0,0,0|2,1,0]=4 663 B13R1.356 CC=Cc1cc(ccc1C(=O)C)C 271570a_100016259895_100012353930 [0,1,0,0,0,0|2,0,1]=4 664 B13R1.356 CC=Cc1cc(ccc1C(=O)C)F 271570a_100016259895_100000686192 [0,1,0,0,0,0|2,0,1]=4 665 B13R1.356 CC=Cc1cc(ccc1C(=O)C)O 271570a_100016259895_100012340537 [0,1,0,0,0,0|2,0,1]=4 666 B13R1.356 CC=Cc1cc(ccc1C(=O)N)Br 271570a_100016259895_100009815748 [0,1,0,0,0,0|1,0,1]=3 667 B13R1.356 CC=Cc1cc(ccc1C(=O)N)F 271570a_100016259895_100000206404 [0,1,0,0,0,0|1,0,1]=3 668 B13R1.356 CC=Cc1nc(ccc1C(=O)N)C 271570a_100016259895_100000041523 [0,1,0,0,0,0|2,0,1]=4 669 B13R1.356 CCNc1cc(ccc1C(=O)C)F 27a_100015525214_100000686192 [0,1,0,0,0,0|2,0,0]=3 670 B13R1.356 CCNc1cc(ccc1C(=O)N)Br 27a_100015525214_100009815748 [0,1,0,0,0,0|1,0,0]=2 671 B13R1.356 CCNc1cc(ccc1C(=O)N)Br 7a_100012349972_100000210202 [0,1,0,0,0,0|1,0,0]=2 672 B13R1.356 CCNc1cc(ccc1C(=O)N)C 34a_100011219537_100000210202 [0,1,0,0,0,0|1,0,0]=2 673 B13R1.356 CCNc1cc(ccc1C(=O)N)C 7a_100011219537_100000210202 [0,1,0,0,0,0|1,0,0]=2 674 B13R1.356 CCNc1cc(ccc1C(=O)N)Cl 34a_100000738103_100000210202 [0,1,0,0,0,0|1,0,0]=2 675 B13R1.356 CCNc1cc(ccc1C(=O)N)Cl 7a_100000738103_100000210202 [0,1,0,0,0,0|1,0,0]=2 676 B13R1.356 CCNc1cc(ccc1C(=O)N)F 27a_100015525214_100000206404 [0,1,0,0,0,0|1,0,0]=2 677 B13R1.356 CCNc1cc(ccc1C(=O)N)F 34a_100011298637_100000210202 [0,1,0,0,0,0|1,0,0]=2 678 B13R1.356 CCNc1cc(ccc1[N+](=O)[O-])F 34a_100000746377_100000210202 [0,1,0,0,0,0|3,0,0]=4 679 B13R1.356 CCNc1nc(ccc1C(=O)N)C 27a_100015525214_100000041523 [0,1,0,0,0,0|2,0,0]=3 680 B13R1.356 CCOc1cc(ccc1B(O)O)O 271570a_203496583355_200010295860 [0,1,0,0,0,0|2,0,1]=4 681 B13R1.356 CCOc1cc(ccc1C(=O)C)Br 7a_100000188348_100000210202 [0,1,0,0,0,0|1,0,0]=2 682 B13R1.356 CCOc1cc(ccc1C(=O)C)C 34a_100000234885_100000210202 [0,1,0,0,0,0|1,0,0]=2 683 B13R1.356 CCOc1cc(ccc1C(=O)C)C 7a_100000234885_100000210202 [0,1,0,0,0,0|1,0,0]=2 684 B13R1.356 CCOc1cc(ccc1C(=O)C)Cl 34a_100000061402_100000210202 [0,1,0,0,0,0|1,0,0]=2 685 B13R1.356 CCOc1cc(ccc1C(=O)C)Cl 7a_100000061402_100000210202 [0,1,0,0,0,0|1,0,0]=2 686 B13R1.356 CCOc1cc(ccc1C(=O)C)F 7a_100011215782_100000210202 [0,1,0,0,0,0|1,0,0]=2 687 B13R1.356 CCOc1cc(ccc1C(=O)N)Br 34a_100011550861_100000210202 [0,1,0,0,0,0|0,0,0]=1 688 B13R1.356 CCOc1cc(ccc1C(=O)N)Br 7a_100011550861_100000210202 [0,1,0,0,0,0|0,0,0]=1 689 B13R1.356 CCOc1cc(ccc1C(=O)N)C 34a_100000192831_100000210202 [0,1,0,0,0,0|0,0,0]=1 690 B13R1.356 CCOc1cc(ccc1C(=O)N)C 7a_100000192831_100000210202 [0,1,0,0,0,0|0,0,0]=1 691 B13R1.356 CCOc1cc(ccc1C(=O)N)Cl 34a_100000192836_100000210202 [0,1,0,0,0,0|0,0,0]=1 692 B13R1.356 CCOc1cc(ccc1C(=O)N)Cl 7a_100000192836_100000210202 [0,1,0,0,0,0|0,0,0]=1 693 B13R1.356 CCOc1cc(ccc1C(=O)N)N 34a_100000223280_100000210202 [0,1,0,0,0,0|0,0,0]=1 694 B13R1.356 CCOc1cc(ccc1C(=O)N)N 7a_100000223280_100000210202 [0,1,0,0,0,0|0,0,0]=1 695 B13R1.356 CCOc1cc(ccc1C(=O)N)O 271570a_203496583355_200010071310 [0,1,0,0,0,0|0,0,0]=1 696 B13R1.356 CCOc1cc(ccc1C(C)C)C 34a_100000185798_100000210202 [0,1,0,0,0,0|2,0,1]=4 697 B13R1.356 CCOc1cc(ccc1C(C)C)C 7a_100000185798_100000210202 [0,1,0,0,0,0|2,0,1]=4 698 B13R1.356 CCOc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_100000210202 [0,1,0,0,0,0|2,0,0]=3 699 B13R1.356 CCOc1cc(ccc1[N+](=O)[O-])C 34a_100000195450_100000210202 [0,1,0,0,0,0|2,0,0]=3 700 B13R1.356 CCOc1cc(ccc1[N+](=O)[O-])C 7a_100000195450_100000210202 [0,1,0,0,0,0|2,0,0]=3 701 B13R1.356 CCOc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_100000210202 [0,1,0,0,0,0|2,0,0]=3 702 B13R1.356 CCOc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_100000210202 [0,1,0,0,0,0|2,0,0]=3 703 B13R1.356 CCOc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_100000210202 [0,1,0,0,0,0|2,0,0]=3 704 B13R1.356 CCOc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_100000210202 [0,1,0,0,0,0|2,0,0]=3 705 B13R1.356 CCOc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_100000210202 [0,1,0,0,0,0|2,0,0]=3 706 B13R1.356 CCOc1cc(cnc1[N+](=O)[O-])Br 7a_100010201919_100000210202 [0,1,0,0,0,0|3,0,0]=4 707 B13R1.356 CCOc1cc(cnc1[N+](=O)[O-])Cl 7a_100009862519_100000210202 [0,1,0,0,0,0|3,0,0]=4 708 B13R1.356 CCSc1cc(ccc1C(=O)C)C 62a_100000210202_100012353930 [0,1,0,0,0,0|1,1,0]=3 709 B13R1.356 CCSc1cc(ccc1C(=O)C)C 62a_100012353930_100000210202 [0,1,0,0,0,0|1,1,0]=3 710 B13R1.356 CCSc1cc(ccc1C(=O)C)F 62a_100000686192_100000210202 [0,1,0,0,0,0|1,1,0]=3 711 B13R1.356 CCSc1cc(ccc1C(=O)C)O 62a_100012340537_100000210202 [0,1,0,0,0,0|1,1,0]=3 712 B13R1.356 CCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100000210202 [0,1,0,0,0,0|0,1,0]=2 713 B13R1.356 CCSc1cc(ccc1C(=O)N)F 62a_100000206404_100000210202 [0,1,0,0,0,0|0,1,0]=2 714 B13R1.356 CCSc1cc(ccc1C(=O)N)F 62a_100000210202_100000206404 [0,1,0,0,0,0|0,1,0]=2 715 B13R1.356 CCSc1cc(ccc1[C@@H](C)N)F 62a_100000210202_100025704064 [0,1,0,0,0,0|1,1,1]=4 716 B13R1.356 CCSc1cc(ccc1[C@@H](C)N)F 62a_100025704064_100000210202 [0,1,0,0,0,0|1,1,1]=4 717 B13R1.356 CCSc1nc(ccc1C(=O)N)C 62a_100000041523_100000210202 [0,1,0,0,0,0|1,1,0]=3 718 B13R1.356 CCSc1nc(ccc1C(=O)N)C 62a_100000210202_100000041523 [0,1,0,0,0,0|1,1,0]=3 719 B13R1.356 CNCc1cc(ccc1C(=O)C)Br 26a_100102657272_100000188348 [0,1,0,0,0,0|3,0,0]=4 720 B13R1.356 Cc1ccc(c(c1)NCF)C(=O)N 34a_100011219537_100015361967 [0,1,0,0,0,0|2,0,0]=3 721 B13R1.356 Cc1ccc(c(c1)NCF)C(=O)N 7a_100011219537_100015361967 [0,1,0,0,0,0|2,0,0]=3 722 B13R1.356 Cc1ccc(c(c1)OCF)C(=O)N 34a_100000192831_100015361967 [0,1,0,0,0,0|1,0,0]=2 723 B13R1.356 Cc1ccc(c(c1)OCF)C(=O)N 7a_100000192831_100015361967 [0,1,0,0,0,0|1,0,0]=2 724 B13R1.356 Cc1ccc(c(c1)OCF)[N+](=O)[O-] 34a_100000195450_100015361967 [0,1,0,0,0,0|3,0,0]=4 725 B13R1.356 Cc1ccc(c(c1)OCF)[N+](=O)[O-] 7a_100000195450_100015361967 [0,1,0,0,0,0|3,0,0]=4 726 B13R1.356 Cc1ccc(c(n1)SCF)C(=O)N 62a_100000041523_100015361967 [0,1,0,0,0,0|2,1,0]=4 727 B13R1.356 Cc1ccc(c(n1)SCF)C(=O)N 62a_100015361967_100000041523 [0,1,0,0,0,0|2,1,0]=4 728 B13R1.356 NC(=O)c1ccc(cc1NCF)Br 7a_100012349972_100015361967 [0,1,0,0,0,0|2,0,0]=3 729 B13R1.356 NC(=O)c1ccc(cc1NCF)Cl 34a_100000738103_100015361967 [0,1,0,0,0,0|2,0,0]=3 730 B13R1.356 NC(=O)c1ccc(cc1NCF)Cl 7a_100000738103_100015361967 [0,1,0,0,0,0|2,0,0]=3 731 B13R1.356 NC(=O)c1ccc(cc1NCF)F 34a_100011298637_100015361967 [0,1,0,0,0,0|2,0,0]=3 732 B13R1.356 NC(=O)c1ccc(cc1OCF)Br 34a_100011550861_100015361967 [0,1,0,0,0,0|1,0,0]=2 733 B13R1.356 NC(=O)c1ccc(cc1OCF)Br 7a_100011550861_100015361967 [0,1,0,0,0,0|1,0,0]=2 734 B13R1.356 NC(=O)c1ccc(cc1OCF)Cl 34a_100000192836_100015361967 [0,1,0,0,0,0|1,0,0]=2 735 B13R1.356 NC(=O)c1ccc(cc1OCF)Cl 7a_100000192836_100015361967 [0,1,0,0,0,0|1,0,0]=2 736 B13R1.356 NC(=O)c1ccc(cc1OCF)N 34a_100000223280_100015361967 [0,1,0,0,0,0|1,0,0]=2 737 B13R1.356 NC(=O)c1ccc(cc1OCF)N 7a_100000223280_100015361967 [0,1,0,0,0,0|1,0,0]=2 738 B13R1.356 NC(=O)c1ccc(cc1SCF)Br 62a_100009815748_100015361967 [0,1,0,0,0,0|1,1,0]=3 739 B13R1.356 NC(=O)c1ccc(cc1SCF)F 62a_100000206404_100015361967 [0,1,0,0,0,0|1,1,0]=3 740 B13R1.356 NC(=O)c1ccc(cc1SCF)F 62a_100015361967_100000206404 [0,1,0,0,0,0|1,1,0]=3 741 B13R1.356 O=[N+]([O-])c1ccc(cc1OCF)Br 7a_100011934350_100015361967 [0,1,0,0,0,0|3,0,0]=4 742 B13R1.356 O=[N+]([O-])c1ccc(cc1OCF)Cl 34a_100000746067_100015361967 [0,1,0,0,0,0|3,0,0]=4 743 B13R1.356 O=[N+]([O-])c1ccc(cc1OCF)Cl 7a_100000746067_100015361967 [0,1,0,0,0,0|3,0,0]=4 744 B13R1.356 O=[N+]([O-])c1ccc(cc1OCF)F 34a_100000210785_100015361967 [0,1,0,0,0,0|3,0,0]=4 745 B13R1.356 O=[N+]([O-])c1ccc(cc1OCF)F 7a_100000210785_100015361967 [0,1,0,0,0,0|3,0,0]=4 746 B13R1.356 O=[N+]([O-])c1ccc(cc1OCF)I 7a_100000072657_100015361967 [0,1,0,0,0,0|3,0,0]=4 747 B13R1.381 CC=Cc1ccccc1S(=O)(=O)N 271570a_100016259895_100000735520 [0,1,0,0,0,0|2,0,1]=4 748 B13R1.381 CCNc1ccccc1P(=O)(C)C 2230a_100010749338_100000210202 [0,1,0,0,0,0|3,0,0]=4 749 B13R1.381 CCNc1ccccc1P(=O)(C)C 34a_100010749338_100000210202 [0,1,0,0,0,0|3,0,0]=4 750 B13R1.381 CCNc1ccccc1S(=O)(=O)C 34a_100000241000_100000210202 [0,1,0,0,0,0|3,0,0]=4 751 B13R1.381 CCNc1ccccc1S(=O)(=O)C 7a_100000241000_100000210202 [0,1,0,0,0,0|3,0,0]=4 752 B13R1.381 CCNc1ccccc1S(=O)(=O)N 34a_100011204920_100000210202 [0,1,0,0,0,0|2,0,0]=3 753 B13R1.381 CCNc1ccncc1S(=O)(=O)N 27a_100015525214_100011216116 [0,1,0,0,0,0|3,0,0]=4 754 B13R1.381 CCNc1ncccc1S(=O)(=O)N 27a_100015525214_100000740416 [0,1,0,0,0,0|3,0,0]=4 755 B13R1.381 CCOc1ccccc1C(C)(C)C 34a_100000211619_100000210202 [0,1,0,0,0,0|2,0,1]=4 756 B13R1.381 CCOc1ccccc1C(C)(C)C 7a_100000211619_100000210202 [0,1,0,0,0,0|2,0,1]=4 757 B13R1.381 CCOc1ccccc1C(F)(F)F 34a_100000236976_100000210202 [0,1,0,0,0,0|2,0,1]=4 758 B13R1.381 CCOc1ccccc1C(F)(F)F 7a_100000236976_100000210202 [0,1,0,0,0,0|2,0,1]=4 759 B13R1.381 CCOc1ccccc1S(=O)(=O)C 34a_100000054562_100000210202 [0,1,0,0,0,0|2,0,0]=3 760 B13R1.381 CCOc1ccccc1S(=O)(=O)C 7a_100000054562_100000210202 [0,1,0,0,0,0|2,0,0]=3 761 B13R1.381 CCOc1ccccc1[Si](C)(C)C 7a_100000095915_100000210202 [0,1,0,0,0,0|2,1,0]=4 762 B13R1.381 CCSc1ccccc1C(C)(C)N 62a_100000210202_100020606264 [0,1,0,0,0,0|1,1,1]=4 763 B13R1.381 CCSc1ccccc1C(C)(C)N 62a_100020606264_100000210202 [0,1,0,0,0,0|1,1,1]=4 764 B13R1.381 CCSc1ccccc1S(=O)(=O)C 62a_100000210202_100000751929 [0,1,0,0,0,0|2,1,0]=4 765 B13R1.381 CCSc1ccccc1S(=O)(=O)C 62a_100000751929_100000210202 [0,1,0,0,0,0|2,1,0]=4 766 B13R1.381 CCSc1ccccc1S(=O)(=O)N 62a_100000164562_100000210202 [0,1,0,0,0,0|1,1,0]=3 767 B13R1.381 CCSc1ccncc1S(=O)(=O)N 62a_100000210202_100011216116 [0,1,0,0,0,0|2,1,0]=4 768 B13R1.381 CCSc1ccncc1S(=O)(=O)N 62a_100011216116_100000210202 [0,1,0,0,0,0|2,1,0]=4 769 B13R1.381 CCSc1ncccc1S(=O)(=O)N 62a_100000210202_100000740416 [0,1,0,0,0,0|2,1,0]=4 770 B13R1.381 CNCc1ccccc1S(=O)(=O)N 2230a_106832991635_200137420970 [0,1,0,0,0,0|3,0,0]=4 771 B13R1.381 CNCc1ccccc1S(=O)(=O)N 34a_100102657272_200137420970 [0,1,0,0,0,0|3,0,0]=4 772 B13R1.381 CNCc1ccccc1S(=O)(=O)N 7a_106832991635_200137420970 [0,1,0,0,0,0|3,0,0]=4 773 B13R1.381 COCc1ccccc1S(=O)(=O)N 34a_100138415774_200137420970 [0,1,0,0,0,0|3,0,0]=4 774 B13R1.381 CS(=O)(=O)c1ccccc1OCF 34a_100000054562_100015361967 [0,1,0,0,0,0|3,0,0]=4 775 B13R1.381 CS(=O)(=O)c1ccccc1OCF 7a_100000054562_100015361967 [0,1,0,0,0,0|3,0,0]=4 776 B13R1.381 CSCc1ccccc1S(=O)(=O)N 62a_200137420970_200000210301 [0,1,0,0,0,0|3,0,0]=4 777 B13R1.381 NS(=O)(=O)c1ccccc1NCF 34a_100011204920_100015361967 [0,1,0,0,0,0|3,0,0]=4 778 B13R1.381 NS(=O)(=O)c1ccccc1SCF 62a_100000164562_100015361967 [0,1,0,0,0,0|2,1,0]=4 779 B13R1.381 [13CH3]SCc1ccccc1S(=O)(=O)N 62a_200137420970_200025704644 [0,1,0,0,0,0|3,0,0]=4 780 B13R1.382 C=C=Cc1ccccc1C(=O)NC 271570a_100015277604_100000155073 [0,1,0,0,0,0|1,0,2]=4 781 B13R1.382 C=C=Cc1ccccc1C(=O)NN 271570a_100015277604_100000190081 [0,1,0,0,0,0|1,0,2]=4 782 B13R1.382 CC(=NO)c1ccccc1OCF 34a_100000164216_100015361967 [0,1,0,0,0,0|2,0,1]=4 783 B13R1.382 CC=Cc1ccccc1C(=O)NC 271570a_100016259895_100000155073 [0,1,0,0,0,0|1,0,1]=3 784 B13R1.382 CC=Cc1ccccc1C(=O)NN 271570a_100016259895_100000190081 [0,1,0,0,0,0|1,0,1]=3 785 B13R1.382 CC=Cc1ccccc1C(=O)OC 271570a_100016259895_100000148710 [0,1,0,0,0,0|2,0,1]=4 786 B13R1.382 CC=Cc1ncccc1C(=O)NC 271570a_100016259895_100000159833 [0,1,0,0,0,0|2,0,1]=4 787 B13R1.382 CCC(=O)c1ccccc1COC 1458a_100000737999_100000210202 [0,1,0,0,0,0|3,0,0]=4 788 B13R1.382 CCC(=O)c1ccccc1OCF 7a_100000184720_100015361967 [0,1,0,0,0,0|2,0,0]=3 789 B13R1.382 CCNc1ccccc1C(=O)NC 27a_100015525214_100000155073 [0,1,0,0,0,0|1,0,0]=2 790 B13R1.382 CCNc1ccccc1C(=O)NC 34a_100000185696_100000210202 [0,1,0,0,0,0|1,0,0]=2 791 B13R1.382 CCNc1ncccc1C(=O)NC 27a_100015525214_100000159833 [0,1,0,0,0,0|2,0,0]=3 792 B13R1.382 CCNc1ncccc1C(=O)OC 27a_100015525214_100000150852 [0,1,0,0,0,0|3,0,0]=4 793 B13R1.382 CCOc1ccccc1C(=NO)C 34a_100000164216_100000210202 [0,1,0,0,0,0|1,0,1]=3 794 B13R1.382 CCOc1ccccc1C(=O)CBr 7a_100000188908_100000210202 [0,1,0,0,0,0|1,0,0]=2 795 B13R1.382 CCOc1ccccc1C(=O)CC 1458a_100000211144_100000210202 [0,1,0,0,0,0|1,0,0]=2 796 B13R1.382 CCOc1ccccc1C(=O)CC 7a_100000184720_100000210202 [0,1,0,0,0,0|1,0,0]=2 797 B13R1.382 CCOc1ccccc1C(=O)CF 1458a_100000211144_100015361967 [0,1,0,0,0,0|1,0,0]=2 798 B13R1.382 CCOc1ccccc1C(=O)NC 11a_106832991635_100000211144 [0,1,0,0,0,0|0,0,0]=1 799 B13R1.382 CCOc1ccccc1C(=O)NC 1626a_100102657272_100000211144 [0,1,0,0,0,0|0,0,0]=1 800 B13R1.382 CCOc1ccccc1C(=O)NC 240690a_100102657272_100000211144 [0,1,0,0,0,0|0,0,0]=1 801 B13R1.382 CCOc1ccccc1C(=O)NC 34a_100000185920_100000210202 [0,1,0,0,0,0|0,0,0]=1 802 B13R1.382 CCOc1ccccc1C(=O)NC 527a_100102657272_100000211144 [0,1,0,0,0,0|0,0,0]=1 803 B13R1.382 CCOc1ccccc1C(=O)NC 7a_100000185920_100000210202 [0,1,0,0,0,0|0,0,0]=1 804 B13R1.382 CCOc1ccccc1C(=O)NN 34a_100000186518_100000210202 [0,1,0,0,0,0|0,0,0]=1 805 B13R1.382 CCOc1ccccc1C(=O)NO 34a_100000188472_100000210202 [0,1,0,0,0,0|0,0,0]=1 806 B13R1.382 CCOc1ccccc1C(=O)OC 7a_100000150335_100000210202 [0,1,0,0,0,0|1,0,0]=2 807 B13R1.382 CCOc1ccccc1C(C)CC 7a_100000211618_100000210202 [0,1,0,0,0,0|2,0,1]=4 808 B13R1.382 CCOc1ccccc1C(C)NC 2230a_100000737537_200000210301 [0,1,0,0,0,0|1,0,1]=3 809 B13R1.382 CCOc1ccccc1C(C)NC 269862a_106832991636_100000172999 [0,1,0,0,0,0|1,0,1]=3 810 B13R1.382 CCOc1ccccc1C(C)N[13CH3] 2230a_100000737537_200025704644 [0,1,0,0,0,0|1,0,1]=3 811 B13R1.382 CCOc1ccccc1C(C)OC 7a_100000246524_200000210301 [0,1,0,0,0,0|1,0,2]=4 812 B13R1.382 CCOc1ccccc1C(C)O[13CH3] 7a_100000246524_200025704644 [0,1,0,0,0,0|1,0,2]=4 813 B13R1.382 CCOc1cccnc1C(=O)NC 34a_100011376092_100000210202 [0,1,0,0,0,0|1,0,0]=2 814 B13R1.382 CCOc1cccnc1C(=O)NC 7a_100011376092_100000210202 [0,1,0,0,0,0|1,0,0]=2 815 B13R1.382 CCOc1cccnc1C(=O)OC 34a_100000744052_100000210202 [0,1,0,0,0,0|2,0,0]=3 816 B13R1.382 CCOc1cccnc1C(=O)OC 7a_100000744052_100000210202 [0,1,0,0,0,0|2,0,0]=3 817 B13R1.382 CCOc1ncccc1C(C)NC 269862a_106832991636_100012039643 [0,1,0,0,0,0|2,0,1]=4 818 B13R1.382 CCSc1ccccc1C(=O)CC 1458a_100000195471_100000210202 [0,1,0,0,0,0|1,1,0]=3 819 B13R1.382 CCSc1ccccc1C(=O)CF 1458a_100000195471_100015361967 [0,1,0,0,0,0|1,1,0]=3 820 B13R1.382 CCSc1ccccc1C(=O)NC 11a_106832991635_100000195471 [0,1,0,0,0,0|0,1,0]=2 821 B13R1.382 CCSc1ccccc1C(=O)NC 1626a_100102657272_100000195471 [0,1,0,0,0,0|0,1,0]=2 822 B13R1.382 CCSc1ccccc1C(=O)NC 240690a_100102657272_100000195471 [0,1,0,0,0,0|0,1,0]=2 823 B13R1.382 CCSc1ccccc1C(=O)NC 527a_100102657272_100000195471 [0,1,0,0,0,0|0,1,0]=2 824 B13R1.382 CCSc1ccccc1C(=O)NC 62a_100000155073_100000210202 [0,1,0,0,0,0|0,1,0]=2 825 B13R1.382 CCSc1ccccc1C(=O)NC 62a_100000210202_100000155073 [0,1,0,0,0,0|0,1,0]=2 826 B13R1.382 CCSc1ccccc1C(=O)NN 62a_100000190081_100000210202 [0,1,0,0,0,0|0,1,0]=2 827 B13R1.382 CCSc1ccccc1C(=O)NN 62a_100000210202_100000190081 [0,1,0,0,0,0|0,1,0]=2 828 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000148710_100000210202 [0,1,0,0,0,0|1,1,0]=3 829 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000210202_100000148710 [0,1,0,0,0,0|1,1,0]=3 830 B13R1.382 CCSc1ccccc1C(=O)O[Na] 62a_100000210202_114855342371 [0,1,0,0,0,0|1,1,0]=3 831 B13R1.382 CCSc1ccccc1C(C)NC 62a_100000210202_100000692418 [0,1,0,0,0,0|1,1,1]=4 832 B13R1.382 CCSc1ccccc1C(C)NC 62a_100000692418_100000210202 [0,1,0,0,0,0|1,1,1]=4 833 B13R1.382 CCSc1ccccc1C(O)CN 62a_100000210202_100011236429 [0,1,0,0,0,0|0,1,2]=4 834 B13R1.382 CCSc1ccccc1C(O)CN 62a_100011236429_100000210202 [0,1,0,0,0,0|0,1,2]=4 835 B13R1.382 CCSc1ccccc1[C@H](N)CO 62a_100000210202_100161155918 [0,1,0,0,0,0|0,1,2]=4 836 B13R1.382 CCSc1ccccc1[C@H](N)CO 62a_100161155918_100000210202 [0,1,0,0,0,0|0,1,2]=4 837 B13R1.382 CCSc1cccnc1C(=O)OC 62a_100000210202_100011935214 [0,1,0,0,0,0|2,1,0]=4 838 B13R1.382 CCSc1cccnc1C(=O)OC 62a_100011935214_100000210202 [0,1,0,0,0,0|2,1,0]=4 839 B13R1.382 CCSc1ccncc1C(=O)OC 62a_100000210202_100020629055 [0,1,0,0,0,0|2,1,0]=4 840 B13R1.382 CCSc1ccncc1C(=O)OC 62a_100020629055_100000210202 [0,1,0,0,0,0|2,1,0]=4 841 B13R1.382 CCSc1cnccc1C(=O)OC 62a_100000210202_100010008606 [0,1,0,0,0,0|2,1,0]=4 842 B13R1.382 CCSc1cnccc1C(=O)OC 62a_100010008606_100000210202 [0,1,0,0,0,0|2,1,0]=4 843 B13R1.382 CCSc1ncccc1C(=O)NC 62a_100000159833_100000210202 [0,1,0,0,0,0|1,1,0]=3 844 B13R1.382 CCSc1ncccc1C(=O)NC 62a_100000210202_100000159833 [0,1,0,0,0,0|1,1,0]=3 845 B13R1.382 CCSc1ncccc1C(=O)OC 62a_100000210202_100000150852 [0,1,0,0,0,0|2,1,0]=4 846 B13R1.382 CCSc1ncccc1C(=O)OC 62a_100011587185_100000210202 [0,1,0,0,0,0|2,1,0]=4 847 B13R1.382 CNC(=O)c1ccccc1CC#N 11a_106832991635_100000010604 [0,1,0,0,0,0|2,0,1]=4 848 B13R1.382 CNC(=O)c1ccccc1CC#N 1626a_100102657272_100000010604 [0,1,0,0,0,0|2,0,1]=4 849 B13R1.382 CNC(=O)c1ccccc1COC 11a_106832991635_100000737999 [0,1,0,0,0,0|2,0,0]=3 850 B13R1.382 CNC(=O)c1ccccc1COC 1626a_100102657272_100000737999 [0,1,0,0,0,0|2,0,0]=3 851 B13R1.382 CNC(=O)c1ccccc1COC 240690a_100102657272_100000737999 [0,1,0,0,0,0|2,0,0]=3 852 B13R1.382 CNC(=O)c1ccccc1COC 34a_100009855793_200000210301 [0,1,0,0,0,0|2,0,0]=3 853 B13R1.382 CNC(=O)c1ccccc1COC 527a_100102657272_100000737999 [0,1,0,0,0,0|2,0,0]=3 854 B13R1.382 CNC(=O)c1ccccc1COC 7a_100009855793_200000210301 [0,1,0,0,0,0|2,0,0]=3 855 B13R1.382 CNC(=O)c1ccccc1CO[13CH3] 34a_100009855793_200025704644 [0,1,0,0,0,0|2,0,0]=3 856 B13R1.382 CNC(=O)c1ccccc1CO[13CH3] 7a_100009855793_200025704644 [0,1,0,0,0,0|2,0,0]=3 857 B13R1.382 CNC(=O)c1ccccc1N=[N+]=[N-] 240690a_100102657272_100009827904 [0,1,0,0,0,0|3,0,0]=4 858 B13R1.382 CNC(=O)c1ccccc1NCF 34a_100000185696_100015361967 [0,1,0,0,0,0|2,0,0]=3 859 B13R1.382 CNC(=O)c1ccccc1OCF 34a_100000185920_100015361967 [0,1,0,0,0,0|1,0,0]=2 860 B13R1.382 CNC(=O)c1ccccc1OCF 7a_100000185920_100015361967 [0,1,0,0,0,0|1,0,0]=2 861 B13R1.382 CNC(=O)c1ccccc1SCF 62a_100000155073_100015361967 [0,1,0,0,0,0|1,1,0]=3 862 B13R1.382 CNC(=O)c1ccccc1SCF 62a_100015361967_100000155073 [0,1,0,0,0,0|1,1,0]=3 863 B13R1.382 CNC(=O)c1cccnc1SCF 62a_100000159833_100015361967 [0,1,0,0,0,0|2,1,0]=4 864 B13R1.382 CNC(=O)c1cccnc1SCF 62a_100015361967_100000159833 [0,1,0,0,0,0|2,1,0]=4 865 B13R1.382 CNC(=O)c1ncccc1OCF 34a_100011376092_100015361967 [0,1,0,0,0,0|2,0,0]=3 866 B13R1.382 CNC(=O)c1ncccc1OCF 7a_100011376092_100015361967 [0,1,0,0,0,0|2,0,0]=3 867 B13R1.382 CNCc1ccccc1C(=O)OC 2230a_106832991635_100000744672 [0,1,0,0,0,0|3,0,0]=4 868 B13R1.382 CNCc1ccccc1C(=O)OC 34a_100102657272_100000744672 [0,1,0,0,0,0|3,0,0]=4 869 B13R1.382 CNCc1ccccc1C(=O)OC 7a_106832991635_100000744672 [0,1,0,0,0,0|3,0,0]=4 870 B13R1.382 COC(=O)c1ccccc1CSC 62a_100000744672_200000210301 [0,1,0,0,0,0|3,0,0]=4 871 B13R1.382 COC(=O)c1ccccc1CSC 62a_200000210301_100000744672 [0,1,0,0,0,0|3,0,0]=4 872 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_100000744672_200025704644 [0,1,0,0,0,0|3,0,0]=4 873 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_200025704644_100000744672 [0,1,0,0,0,0|3,0,0]=4 874 B13R1.382 COC(=O)c1ccccc1OCF 7a_100000150335_100015361967 [0,1,0,0,0,0|2,0,0]=3 875 B13R1.382 COC(=O)c1ccccc1SCF 62a_100000148710_100015361967 [0,1,0,0,0,0|2,1,0]=4 876 B13R1.382 COC(=O)c1ccccc1SCF 62a_100015361967_100000148710 [0,1,0,0,0,0|2,1,0]=4 877 B13R1.382 COC(=O)c1ncccc1OCF 34a_100000744052_100015361967 [0,1,0,0,0,0|3,0,0]=4 878 B13R1.382 COC(=O)c1ncccc1OCF 7a_100000744052_100015361967 [0,1,0,0,0,0|3,0,0]=4 879 B13R1.382 COCc1ccccc1C(=O)CF 1458a_100000737999_100015361967 [0,1,0,0,0,0|3,0,0]=4 880 B13R1.382 COCc1ccccc1C(=O)OC 34a_100138415774_100000744672 [0,1,0,0,0,0|3,0,0]=4 881 B13R1.382 NNC(=O)c1ccccc1OCF 34a_100000186518_100015361967 [0,1,0,0,0,0|1,0,0]=2 882 B13R1.382 NNC(=O)c1ccccc1SCF 62a_100000190081_100015361967 [0,1,0,0,0,0|1,1,0]=3 883 B13R1.382 NNC(=O)c1ccccc1SCF 62a_100015361967_100000190081 [0,1,0,0,0,0|1,1,0]=3 884 B13R1.382 O=C(CBr)c1ccccc1OCF 7a_100000188908_100015361967 [0,1,0,0,0,0|2,0,0]=3 885 B13R1.382 O=C(NO)c1ccccc1OCF 34a_100000188472_100015361967 [0,1,0,0,0,0|1,0,0]=2 886 B13R1.382 O=C(O[Na])c1ccccc1SCF 62a_100015361967_114855342371 [0,1,0,0,0,0|2,1,0]=4 887 B13R1.547 CCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000210202 [0,1,0,0,0,0|3,0,0]=4 888 B13R1.547 CCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210202 [0,1,0,0,0,0|3,0,0]=4 889 B13R1.547 CCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000210202 [0,1,0,0,0,0|3,0,0]=4 890 B13R1.547 CCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000204670 [0,1,0,0,0,0|1,0,0]=2 891 B13R1.547 CCN(C)c1ccccc1[N+](=O)[O-] 2230a_100000156515_100000210202 [0,1,0,0,0,0|3,0,0]=4 892 B13R1.547 CCN(C)c1ccccc1[N+](=O)[O-] 2230a_100000156562_200000210301 [0,1,0,0,0,0|3,0,0]=4 893 B13R1.547 CCN(C)c1ccccc1[N+](=O)[O-] 269982a_100000156515_100000204670 [0,1,0,0,0,0|3,0,0]=4 894 B13R1.547 CCN(C)c1ccccc1[N+](=O)[O-] 269982a_100000156562_200000210301 [0,1,0,0,0,0|3,0,0]=4 895 B13R1.547 CCN([13CH3])c1ccccc1[N+](=O)[O-] 2230a_100000156562_200025704644 [0,1,0,0,0,0|3,0,0]=4 896 B13R1.547 CCN([13CH3])c1ccccc1[N+](=O)[O-] 269982a_100000156562_200025704644 [0,1,0,0,0,0|3,0,0]=4 897 B13R1.547 CN(CF)c1ccccc1C(=O)N 269982a_100000184419_100015361967 [0,1,0,0,0,0|2,0,0]=3 898 B13R1.547 COC(=O)c1ccccc1C(=O)C 1458a_100011215673_200000210301 [0,1,0,0,0,0|3,0,0]=4 899 B13R1.547 COC(=O)c1ccccc1C(=O)[13CH3] 1458a_100011215673_200025704644 [0,1,0,0,0,0|3,0,0]=4 900 B13R1.572 C#CCNc1ccccc1C(=O)N 34a_100000185089_100000184674 [0,1,0,0,0,0|1,0,1]=3 901 B13R1.572 C#CCNc1cccnc1C(=O)N 27a_100000212058_200012359670 [0,1,0,0,0,0|2,0,1]=4 902 B13R1.572 C#CCNc1ccncc1C(=O)N 27a_100000212058_100000697804 [0,1,0,0,0,0|2,0,1]=4 903 B13R1.572 C#CCNc1ncccc1C(=O)N 27a_100000212058_100000162199 [0,1,0,0,0,0|2,0,1]=4 904 B13R1.572 C#CCOc1ccccc1C(=O)C 1458a_100000217172_200000210301 [0,1,0,0,0,0|1,0,1]=3 905 B13R1.572 C#CCOc1ccccc1C(=O)N 34a_100000192804_100000184674 [0,1,0,0,0,0|0,0,1]=2 906 B13R1.572 C#CCOc1ccccc1C(=O)N 7a_100000192804_100000038162 [0,1,0,0,0,0|0,0,1]=2 907 B13R1.572 C#CCOc1ccccc1C(=O)[13CH3] 1458a_100000217172_200025704644 [0,1,0,0,0,0|1,0,1]=3 908 B13R1.572 C#CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000038162 [0,1,0,0,0,0|1,0,1]=3 909 B13R1.572 C#CCOc1ccccc1C(=S)N 7a_100000745089_100000038162 [0,1,0,0,0,0|0,1,1]=3 910 B13R1.572 C#CCOc1ccccc1[C@@H](C)N 34a_100025703389_100000184674 [0,1,0,0,0,0|1,0,2]=4 911 B13R1.572 C#CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000184674 [0,1,0,0,0,0|2,0,1]=4 912 B13R1.572 C#CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000038162 [0,1,0,0,0,0|2,0,1]=4 913 B13R1.572 C#CCOc1cccnc1C(=O)C 34a_100000087166_100000184674 [0,1,0,0,0,0|2,0,1]=4 914 B13R1.572 C#CCOc1cccnc1C(=O)C 7a_100000087166_100000038162 [0,1,0,0,0,0|2,0,1]=4 915 B13R1.572 C#CCOc1cccnc1C(=O)N 34a_200011215183_100000184674 [0,1,0,0,0,0|1,0,1]=3 916 B13R1.572 C#CCOc1cccnc1C(=O)N 7a_200011215183_100000038162 [0,1,0,0,0,0|1,0,1]=3 917 B13R1.572 C#CCOc1ccncc1C(=O)N 34a_200011998761_100000184674 [0,1,0,0,0,0|1,0,1]=3 918 B13R1.572 C#CCOc1cnccc1C(=O)C 7a_100009872882_100000038162 [0,1,0,0,0,0|2,0,1]=4 919 B13R1.572 C#CCOc1cnccc1C(=O)N 7a_100012022987_100000038162 [0,1,0,0,0,0|1,0,1]=3 920 B13R1.572 C#CCOc1nccnc1C(=O)N 34a_100011830332_100000184674 [0,1,0,0,0,0|2,0,1]=4 921 B13R1.572 C#CCSc1ccccc1C(=O)N 62a_100000038162_100000162227 [0,1,0,0,0,0|0,1,1]=3 922 B13R1.572 C#CCSc1ccccc1C(=O)O 62a_100000038162_100000734275 [0,1,0,0,0,0|1,1,1]=4 923 B13R1.572 C#CCSc1cccnc1C(=O)N 62a_100000038162_200012359670 [0,1,0,0,0,0|1,1,1]=4 924 B13R1.572 C#CCSc1ccncc1C(=O)N 62a_100000038162_100000697804 [0,1,0,0,0,0|1,1,1]=4 925 B13R1.572 C#CCSc1cnccc1C(=O)N 62a_100000038162_100010205435 [0,1,0,0,0,0|1,1,1]=4 926 B13R1.572 C#CCSc1ncccc1C(=O)N 62a_100000038162_100000162199 [0,1,0,0,0,0|1,1,1]=4 927 B13R1.572 C=C(C)c1ccccc1CCCO 271570a_100000694244_100000699526 [0,1,0,0,0,0|3,0,0]=4 928 B13R1.572 C=C(C)c1ccccc1COCC 271570a_100000694244_200011493690 [0,1,0,0,0,0|2,0,0]=3 929 B13R1.572 C=C(C)c1ccccc1CSCC 271570a_100000694244_200000173030 [0,1,0,0,0,0|2,1,0]=4 930 B13R1.572 C=C(C)c1ccccc1NCCC 34a_100000037685_100000210303 [0,1,0,0,0,0|3,0,0]=4 931 B13R1.572 C=C(C)c1ccccc1NCCF 34a_100000037685_100011217306 [0,1,0,0,0,0|3,0,0]=4 932 B13R1.572 C=C(C)c1ccccc1NCCO 34a_100000037685_100000211926 [0,1,0,0,0,0|3,0,0]=4 933 B13R1.572 C=C(C)c1ccccc1NCSC 34a_100000037685_100011218213 [0,1,0,0,0,0|3,0,0]=4 934 B13R1.572 C=C(C)c1ccccc1OCC#N 271570a_100000694244_200000173881 [0,1,0,0,0,0|2,0,1]=4 935 B13R1.572 C=C(C)c1ccccc1OCCC 271570a_100000694244_100000174042 [0,1,0,0,0,0|2,0,0]=3 936 B13R1.572 C=C(C)c1ccccc1OCCN 271570a_100000694244_100000744007 [0,1,0,0,0,0|2,0,0]=3 937 B13R1.572 C=C(C)c1ccccc1OCCO 271570a_100000694244_100000230753 [0,1,0,0,0,0|2,0,0]=3 938 B13R1.572 C=C(C)c1ccccc1OCOC 271570a_100000694244_200000230759 [0,1,0,0,0,0|2,0,0]=3 939 B13R1.572 C=C(C)c1ccccc1SCCO 271570a_100000694244_200000230852 [0,1,0,0,0,0|2,1,0]=4 940 B13R1.572 C=C(C)c1cccnc1OCCC 271570a_100000694244_200011465209 [0,1,0,0,0,0|3,0,0]=4 941 B13R1.572 C=C(C)c1ncccc1OCCF 271570a_100000694244_100012814765 [0,1,0,0,0,0|3,0,0]=4 942 B13R1.572 C=C(C)c1ncccc1OCOC 271570a_100000694244_100011935308 [0,1,0,0,0,0|3,0,0]=4 943 B13R1.572 C=CCNc1ccccc1C(=O)N 34a_100000185089_100015514636 [0,1,0,0,0,0|1,0,1]=3 944 B13R1.572 C=CCNc1cccnc1C(=O)N 27a_100020586998_200012359670 [0,1,0,0,0,0|2,0,1]=4 945 B13R1.572 C=CCNc1ccncc1C(=O)N 27a_100020586998_100000697804 [0,1,0,0,0,0|2,0,1]=4 946 B13R1.572 C=CCNc1ncccc1C(=O)N 27a_100020586998_100000162199 [0,1,0,0,0,0|2,0,1]=4 947 B13R1.572 C=CCOc1ccccc1C(=O)C 1458a_100000189412_200000210301 [0,1,0,0,0,0|1,0,1]=3 948 B13R1.572 C=CCOc1ccccc1C(=O)N 34a_100000192804_100015514636 [0,1,0,0,0,0|0,0,1]=2 949 B13R1.572 C=CCOc1ccccc1C(=O)N 7a_100000192804_100015514636 [0,1,0,0,0,0|0,0,1]=2 950 B13R1.572 C=CCOc1ccccc1C(=O)[13CH3] 1458a_100000189412_200025704644 [0,1,0,0,0,0|1,0,1]=3 951 B13R1.572 C=CCOc1ccccc1C(=O)[O-] 7a_100015234032_100015514636 [0,1,0,0,0,0|1,0,1]=3 952 B13R1.572 C=CCOc1ccccc1C(=S)N 7a_100000745089_100015514636 [0,1,0,0,0,0|0,1,1]=3 953 B13R1.572 C=CCOc1ccccc1[C@@H](C)N 34a_100025703389_100015514636 [0,1,0,0,0,0|1,0,2]=4 954 B13R1.572 C=CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100015514636 [0,1,0,0,0,0|2,0,1]=4 955 B13R1.572 C=CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100015514636 [0,1,0,0,0,0|2,0,1]=4 956 B13R1.572 C=CCOc1cccnc1C(=O)C 34a_100000087166_100015514636 [0,1,0,0,0,0|2,0,1]=4 957 B13R1.572 C=CCOc1cccnc1C(=O)C 7a_100000087166_100015514636 [0,1,0,0,0,0|2,0,1]=4 958 B13R1.572 C=CCOc1cccnc1C(=O)N 34a_200011215183_100015514636 [0,1,0,0,0,0|1,0,1]=3 959 B13R1.572 C=CCOc1cccnc1C(=O)N 7a_200011215183_100015514636 [0,1,0,0,0,0|1,0,1]=3 960 B13R1.572 C=CCOc1ccncc1C(=O)N 34a_200011998761_100015514636 [0,1,0,0,0,0|1,0,1]=3 961 B13R1.572 C=CCOc1cnccc1C(=O)C 7a_100009872882_100015514636 [0,1,0,0,0,0|2,0,1]=4 962 B13R1.572 C=CCOc1cnccc1C(=O)N 7a_100012022987_100015514636 [0,1,0,0,0,0|1,0,1]=3 963 B13R1.572 C=CCOc1nccnc1C(=O)N 34a_100011830332_100015514636 [0,1,0,0,0,0|2,0,1]=4 964 B13R1.572 C=CCSc1ccccc1C(=O)C 62a_100000751169_100000210623 [0,1,0,0,0,0|1,1,1]=4 965 B13R1.572 C=CCSc1ccccc1C(=O)N 62a_100000162227_100000210623 [0,1,0,0,0,0|0,1,1]=3 966 B13R1.572 C=CCSc1ccccc1C(=O)N 62a_100000210623_100000162227 [0,1,0,0,0,0|0,1,1]=3 967 B13R1.572 C=CCSc1ccccc1C(=O)O 62a_100000210623_100000734275 [0,1,0,0,0,0|1,1,1]=4 968 B13R1.572 C=CCSc1ccccc1C(=O)O 62a_202125556159_100000210623 [0,1,0,0,0,0|1,1,1]=4 969 B13R1.572 C=CCSc1cccnc1C(=O)N 62a_100000210623_200012359670 [0,1,0,0,0,0|1,1,1]=4 970 B13R1.572 C=CCSc1cccnc1C(=O)N 62a_200012359670_100000210623 [0,1,0,0,0,0|1,1,1]=4 971 B13R1.572 C=CCSc1ccncc1C(=O)N 62a_100000210623_100000697804 [0,1,0,0,0,0|1,1,1]=4 972 B13R1.572 C=CCSc1ccncc1C(=O)N 62a_100000697804_100000210623 [0,1,0,0,0,0|1,1,1]=4 973 B13R1.572 C=CCSc1cnccc1C(=O)N 62a_100000210623_100010205435 [0,1,0,0,0,0|1,1,1]=4 974 B13R1.572 C=CCSc1cnccc1C(=O)N 62a_100010205435_100000210623 [0,1,0,0,0,0|1,1,1]=4 975 B13R1.572 C=CCSc1ncccc1C(=O)N 62a_100000162199_100000210623 [0,1,0,0,0,0|1,1,1]=4 976 B13R1.572 C=CCSc1ncccc1C(=O)N 62a_100000210623_100000162199 [0,1,0,0,0,0|1,1,1]=4 977 B13R1.572 CC(=O)c1ccccc1OCCO 1458a_200000217288_200000210301 [0,1,0,0,0,0|1,0,0]=2 978 B13R1.572 CC(=O)c1ccccc1SCC#N 62a_100000751169_100011215382 [0,1,0,0,0,0|1,1,1]=4 979 B13R1.572 CC(=O)c1ccccc1SCC=O 62a_100000751169_200015260668 [0,1,0,0,0,0|1,1,1]=4 980 B13R1.572 CC(=O)c1ccccc1SCCF 62a_100000751169_100011217306 [0,1,0,0,0,0|1,1,0]=3 981 B13R1.572 CC(=O)c1ccccc1SCCO 62a_100000751169_100000211926 [0,1,0,0,0,0|1,1,0]=3 982 B13R1.572 CC(=O)c1cccnc1NCCO 27a_100000210304_100009816689 [0,1,0,0,0,0|3,0,0]=4 983 B13R1.572 CC(=O)c1cccnc1SCCF 62a_100000753718_100011217306 [0,1,0,0,0,0|2,1,0]=4 984 B13R1.572 CC(=O)c1cccnc1SCCF 62a_100011217306_100000753718 [0,1,0,0,0,0|2,1,0]=4 985 B13R1.572 CC(=O)c1cccnc1SCCO 62a_100000211926_100000753718 [0,1,0,0,0,0|2,1,0]=4 986 B13R1.572 CC(=O)c1cccnc1SCCO 62a_100000753718_100000211926 [0,1,0,0,0,0|2,1,0]=4 987 B13R1.572 CC(=O)c1ccncc1OCC#N 7a_100009872882_100011215382 [0,1,0,0,0,0|2,0,1]=4 988 B13R1.572 CC(=O)c1ccncc1OCC=O 7a_100009872882_200015260668 [0,1,0,0,0,0|2,0,1]=4 989 B13R1.572 CC(=O)c1ccncc1OCCF 7a_100009872882_100011217306 [0,1,0,0,0,0|2,0,0]=3 990 B13R1.572 CC(=O)c1ccncc1OCCO 7a_100009872882_100000211926 [0,1,0,0,0,0|2,0,0]=3 991 B13R1.572 CC(=O)c1ccncc1SCCF 62a_100009993184_100011217306 [0,1,0,0,0,0|2,1,0]=4 992 B13R1.572 CC(=O)c1ccncc1SCCF 62a_100011217306_100009993184 [0,1,0,0,0,0|2,1,0]=4 993 B13R1.572 CC(=O)c1ccncc1SCCO 62a_100000211926_100009993184 [0,1,0,0,0,0|2,1,0]=4 994 B13R1.572 CC(=O)c1ccncc1SCCO 62a_100009993184_100000211926 [0,1,0,0,0,0|2,1,0]=4 995 B13R1.572 CC(=O)c1cnccc1NCCO 27a_100000210304_100160469449 [0,1,0,0,0,0|3,0,0]=4 996 B13R1.572 CC(=O)c1cnccc1SCCF 62a_100011217306_100160469449 [0,1,0,0,0,0|2,1,0]=4 997 B13R1.572 CC(=O)c1cnccc1SCCF 62a_100160469449_100011217306 [0,1,0,0,0,0|2,1,0]=4 998 B13R1.572 CC(=O)c1cnccc1SCCO 62a_100000211926_100160469449 [0,1,0,0,0,0|2,1,0]=4 999 B13R1.572 CC(=O)c1cnccc1SCCO 62a_100160469449_100000211926 [0,1,0,0,0,0|2,1,0]=4 1000 B13R1.572 CC(=O)c1ncccc1OCC#N 7a_100000087166_100011215382 [0,1,0,0,0,0|2,0,1]=4 1001 B13R1.572 CC(=O)c1ncccc1OCC=O 34a_100000087166_200009817547 [0,1,0,0,0,0|2,0,1]=4 1002 B13R1.572 CC(=O)c1ncccc1OCC=O 7a_100000087166_200015260668 [0,1,0,0,0,0|2,0,1]=4 1003 B13R1.572 CC(=O)c1ncccc1OCCF 34a_100000087166_100011217306 [0,1,0,0,0,0|2,0,0]=3 1004 B13R1.572 CC(=O)c1ncccc1OCCF 7a_100000087166_100011217306 [0,1,0,0,0,0|2,0,0]=3 1005 B13R1.572 CC(=O)c1ncccc1OCCO 34a_100000087166_100000211926 [0,1,0,0,0,0|2,0,0]=3 1006 B13R1.572 CC(=O)c1ncccc1OCCO 7a_100000087166_100000211926 [0,1,0,0,0,0|2,0,0]=3 1007 B13R1.572 CC(=O)c1ncccc1SCCF 62a_100011217306_100012348690 [0,1,0,0,0,0|2,1,0]=4 1008 B13R1.572 CC(=O)c1ncccc1SCCF 62a_100012348690_100011217306 [0,1,0,0,0,0|2,1,0]=4 1009 B13R1.572 CC(=O)c1ncccc1SCCO 62a_100000211926_100012348690 [0,1,0,0,0,0|2,1,0]=4 1010 B13R1.572 CC(=O)c1ncccc1SCCO 62a_100012348690_100000211926 [0,1,0,0,0,0|2,1,0]=4 1011 B13R1.572 CC(C)c1ccccc1OCCF 34a_100000211617_100011217306 [0,1,0,0,0,0|2,0,1]=4 1012 B13R1.572 CC(C)c1ccccc1OCCF 7a_100000211617_100011217306 [0,1,0,0,0,0|2,0,1]=4 1013 B13R1.572 CC(C)c1ccccc1OCCO 34a_100000211617_100000211926 [0,1,0,0,0,0|2,0,1]=4 1014 B13R1.572 CC(C)c1ccccc1OCCO 7a_100000211617_100000211926 [0,1,0,0,0,0|2,0,1]=4 1015 B13R1.572 CC(N)c1ccccc1SCCF 62a_100000181357_100011217306 [0,1,0,0,0,0|1,1,1]=4 1016 B13R1.572 CC(N)c1ccccc1SCCF 62a_100011217306_100000181357 [0,1,0,0,0,0|1,1,1]=4 1017 B13R1.572 CC(N)c1ccccc1SCCO 62a_100000181357_100000211926 [0,1,0,0,0,0|1,1,1]=4 1018 B13R1.572 CC(N)c1ccccc1SCCO 62a_100000211926_100000181357 [0,1,0,0,0,0|1,1,1]=4 1019 B13R1.572 CC(O)c1ccccc1OCCF 34a_200011232679_100011217306 [0,1,0,0,0,0|1,0,2]=4 1020 B13R1.572 CC(O)c1ccccc1OCCF 7a_200011232679_100011217306 [0,1,0,0,0,0|1,0,2]=4 1021 B13R1.572 CC(O)c1ccccc1OCCO 34a_200011232679_100000211926 [0,1,0,0,0,0|1,0,2]=4 1022 B13R1.572 CC(O)c1ccccc1OCCO 7a_200011232679_100000211926 [0,1,0,0,0,0|1,0,2]=4 1023 B13R1.572 CCCCc1ccccc1C(=O)C 271570a_100020621405_100000751169 [0,1,0,0,0,0|2,0,0]=3 1024 B13R1.572 CCCCc1ccccc1C(=O)N 271570a_100020621405_100000162227 [0,1,0,0,0,0|1,0,0]=2 1025 B13R1.572 CCCCc1ccccc1C(C)N 271570a_100020621405_100000181357 [0,1,0,0,0,0|2,0,1]=4 1026 B13R1.572 CCCCc1ccccc1S(=O)C 271570a_100020621405_100000734199 [0,1,0,0,0,0|3,0,0]=4 1027 B13R1.572 CCCCc1cccnc1C(=O)C 271570a_100020621405_100012348690 [0,1,0,0,0,0|3,0,0]=4 1028 B13R1.572 CCCCc1cccnc1C(=O)N 271570a_100020621405_200012359670 [0,1,0,0,0,0|2,0,0]=3 1029 B13R1.572 CCCCc1ccncc1C(=O)C 271570a_100020621405_100160469449 [0,1,0,0,0,0|3,0,0]=4 1030 B13R1.572 CCCCc1ccncc1C(=O)N 271570a_100020621405_100000697804 [0,1,0,0,0,0|2,0,0]=3 1031 B13R1.572 CCCCc1cnccc1C(=O)C 271570a_100020621405_100009993184 [0,1,0,0,0,0|3,0,0]=4 1032 B13R1.572 CCCCc1cnccc1C(=O)N 271570a_100020621405_100010205435 [0,1,0,0,0,0|2,0,0]=3 1033 B13R1.572 CCCCc1ncccc1C(=O)C 271570a_100020621405_100000753718 [0,1,0,0,0,0|3,0,0]=4 1034 B13R1.572 CCCCc1ncccc1C(=O)N 271570a_100020621405_100000162199 [0,1,0,0,0,0|2,0,0]=3 1035 B13R1.572 CCCCc1nccnc1C(=O)N 271570a_100020621405_100000094861 [0,1,0,0,0,0|3,0,0]=4 1036 B13R1.572 CCCNc1ccccc1C(=O)N 34a_100000185089_100000210303 [0,1,0,0,0,0|1,0,0]=2 1037 B13R1.572 CCCOc1ccccc1C(=O)C 1458a_100000215688_200000210301 [0,1,0,0,0,0|1,0,0]=2 1038 B13R1.572 CCCOc1ccccc1C(=O)N 34a_100000192804_100000210303 [0,1,0,0,0,0|0,0,0]=1 1039 B13R1.572 CCCOc1ccccc1C(=O)N 7a_100000192804_100000210303 [0,1,0,0,0,0|0,0,0]=1 1040 B13R1.572 CCCOc1ccccc1C(=O)[13CH3] 1458a_100000215688_200025704644 [0,1,0,0,0,0|1,0,0]=2 1041 B13R1.572 CCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210303 [0,1,0,0,0,0|1,0,0]=2 1042 B13R1.572 CCCOc1ccccc1C(=S)N 7a_100000745089_100000210303 [0,1,0,0,0,0|0,1,0]=2 1043 B13R1.572 CCCOc1ccccc1C(C)C 34a_100000211617_100000210303 [0,1,0,0,0,0|2,0,1]=4 1044 B13R1.572 CCCOc1ccccc1C(C)C 7a_100000211617_100000210303 [0,1,0,0,0,0|2,0,1]=4 1045 B13R1.572 CCCOc1ccccc1C(C)O 34a_200011232679_100000210303 [0,1,0,0,0,0|1,0,2]=4 1046 B13R1.572 CCCOc1ccccc1C(C)O 7a_200011232679_100000210303 [0,1,0,0,0,0|1,0,2]=4 1047 B13R1.572 CCCOc1ccccc1N(C)C 27a_100102631434_100000174042 [0,1,0,0,0,0|3,0,0]=4 1048 B13R1.572 CCCOc1ccccc1[C@@H](C)N 34a_100025703389_100000210303 [0,1,0,0,0,0|1,0,1]=3 1049 B13R1.572 CCCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210303 [0,1,0,0,0,0|2,0,0]=3 1050 B13R1.572 CCCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210303 [0,1,0,0,0,0|2,0,0]=3 1051 B13R1.572 CCCOc1cccnc1C(=O)C 34a_100000087166_100000210303 [0,1,0,0,0,0|2,0,0]=3 1052 B13R1.572 CCCOc1cccnc1C(=O)C 7a_100000087166_100000210303 [0,1,0,0,0,0|2,0,0]=3 1053 B13R1.572 CCCOc1cccnc1C(=O)N 34a_200011215183_100000210303 [0,1,0,0,0,0|1,0,0]=2 1054 B13R1.572 CCCOc1cccnc1C(=O)N 7a_200011215183_100000210303 [0,1,0,0,0,0|1,0,0]=2 1055 B13R1.572 CCCOc1cccnc1[N+](=O)[O-] 7a_100000183951_100000210303 [0,1,0,0,0,0|3,0,0]=4 1056 B13R1.572 CCCOc1ccncc1C(=O)N 34a_200011998761_100000210303 [0,1,0,0,0,0|1,0,0]=2 1057 B13R1.572 CCCOc1cnccc1C(=O)C 7a_100009872882_100000210303 [0,1,0,0,0,0|2,0,0]=3 1058 B13R1.572 CCCOc1cnccc1C(=O)N 7a_100012022987_100000210303 [0,1,0,0,0,0|1,0,0]=2 1059 B13R1.572 CCCOc1nccnc1C(=O)N 34a_100011830332_100000210303 [0,1,0,0,0,0|2,0,0]=3 1060 B13R1.572 CCCSc1ccccc1C(=O)C 1458a_100000217225_200000210301 [0,1,0,0,0,0|1,1,0]=3 1061 B13R1.572 CCCSc1ccccc1C(=O)C 62a_100000751169_100000210303 [0,1,0,0,0,0|1,1,0]=3 1062 B13R1.572 CCCSc1ccccc1C(=O)N 62a_100000162227_100000210303 [0,1,0,0,0,0|0,1,0]=2 1063 B13R1.572 CCCSc1ccccc1C(=O)N 62a_100000210303_100000162227 [0,1,0,0,0,0|0,1,0]=2 1064 B13R1.572 CCCSc1ccccc1C(=O)O 62a_100000210303_100000734275 [0,1,0,0,0,0|1,1,0]=3 1065 B13R1.572 CCCSc1ccccc1C(=O)O 62a_202125556159_100000210303 [0,1,0,0,0,0|1,1,0]=3 1066 B13R1.572 CCCSc1ccccc1C(=O)[13CH3] 1458a_100000217225_200025704644 [0,1,0,0,0,0|1,1,0]=3 1067 B13R1.572 CCCSc1ccccc1C(C)N 62a_100000181357_100000210303 [0,1,0,0,0,0|1,1,1]=4 1068 B13R1.572 CCCSc1ccccc1C(C)N 62a_100000210303_100000181357 [0,1,0,0,0,0|1,1,1]=4 1069 B13R1.572 CCCSc1ccccc1S(=O)C 62a_100000734199_100000210303 [0,1,0,0,0,0|2,1,0]=4 1070 B13R1.572 CCCSc1cccnc1C(=O)C 62a_100000210303_100012348690 [0,1,0,0,0,0|2,1,0]=4 1071 B13R1.572 CCCSc1cccnc1C(=O)C 62a_100012348690_100000210303 [0,1,0,0,0,0|2,1,0]=4 1072 B13R1.572 CCCSc1cccnc1C(=O)N 62a_100000210303_200012359670 [0,1,0,0,0,0|1,1,0]=3 1073 B13R1.572 CCCSc1cccnc1C(=O)N 62a_200012359670_100000210303 [0,1,0,0,0,0|1,1,0]=3 1074 B13R1.572 CCCSc1ccncc1C(=O)C 62a_100000210303_100160469449 [0,1,0,0,0,0|2,1,0]=4 1075 B13R1.572 CCCSc1ccncc1C(=O)C 62a_100160469449_100000210303 [0,1,0,0,0,0|2,1,0]=4 1076 B13R1.572 CCCSc1ccncc1C(=O)N 62a_100000210303_100000697804 [0,1,0,0,0,0|1,1,0]=3 1077 B13R1.572 CCCSc1ccncc1C(=O)N 62a_100000697804_100000210303 [0,1,0,0,0,0|1,1,0]=3 1078 B13R1.572 CCCSc1cnccc1C(=O)C 62a_100000210303_100009993184 [0,1,0,0,0,0|2,1,0]=4 1079 B13R1.572 CCCSc1cnccc1C(=O)C 62a_100009993184_100000210303 [0,1,0,0,0,0|2,1,0]=4 1080 B13R1.572 CCCSc1cnccc1C(=O)N 62a_100000210303_100010205435 [0,1,0,0,0,0|1,1,0]=3 1081 B13R1.572 CCCSc1cnccc1C(=O)N 62a_100010205435_100000210303 [0,1,0,0,0,0|1,1,0]=3 1082 B13R1.572 CCCSc1ncccc1C(=O)C 62a_100000210303_100000753718 [0,1,0,0,0,0|2,1,0]=4 1083 B13R1.572 CCCSc1ncccc1C(=O)C 62a_100000753718_100000210303 [0,1,0,0,0,0|2,1,0]=4 1084 B13R1.572 CCCSc1ncccc1C(=O)N 62a_100000162199_100000210303 [0,1,0,0,0,0|1,1,0]=3 1085 B13R1.572 CCCSc1ncccc1C(=O)N 62a_100000210303_100000162199 [0,1,0,0,0,0|1,1,0]=3 1086 B13R1.572 CCCSc1nccnc1C(=O)N 62a_100000094861_100000210303 [0,1,0,0,0,0|2,1,0]=4 1087 B13R1.572 CCCSc1nccnc1C(=O)N 62a_100000210303_100000094861 [0,1,0,0,0,0|2,1,0]=4 1088 B13R1.572 CCNCc1ccccc1C(=O)O 269956a_100015183376_100000210202 [0,1,0,0,0,0|2,0,0]=3 1089 B13R1.572 CCNCc1ccccc1[N+](=O)[O-] 2230a_100015525214_100000181388 [0,1,0,0,0,0|3,0,0]=4 1090 B13R1.572 CCNCc1ccccc1[N+](=O)[O-] 270004a_100015525214_100000186027 [0,1,0,0,0,0|3,0,0]=4 1091 B13R1.572 CCOCc1ccccc1B(O)O 34a_100121572206_100009814197 [0,1,0,0,0,0|2,0,1]=4 1092 B13R1.572 CCOCc1ccccc1[N+](=O)[O-] 34a_100121572206_100000181388 [0,1,0,0,0,0|2,0,0]=3 1093 B13R1.572 CCOCc1ccccc1[N+](=O)[O-] 7a_100011218404_100000210202 [0,1,0,0,0,0|2,0,0]=3 1094 B13R1.572 CCSCc1ccccc1[N+](=O)[O-] 62a_100000210202_100000181388 [0,1,0,0,0,0|2,1,0]=4 1095 B13R1.572 CC[Hg]Sc1ccccc1C(=O)C 1458a_100000046266_200000210301 [0,1,0,0,0,0|1,1,0]=3 1096 B13R1.572 CC[Hg]Sc1ccccc1C(=O)[13CH3] 1458a_100000046266_200025704644 [0,1,0,0,0,0|1,1,0]=3 1097 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 2230a_100000723993_200000210301 [0,1,0,0,0,0|3,0,0]=4 1098 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 2230a_106832991635_200011934512 [0,1,0,0,0,0|3,0,0]=4 1099 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 34a_100102657272_200011934512 [0,1,0,0,0,0|3,0,0]=4 1100 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 7a_106832991635_200011934512 [0,1,0,0,0,0|3,0,0]=4 1101 B13R1.572 COCCc1ccccc1[N+](=O)[O-] 34a_100000749287_200000210301 [0,1,0,0,0,0|3,0,0]=4 1102 B13R1.572 COCCc1ccccc1[N+](=O)[O-] 34a_100138415774_200011934512 [0,1,0,0,0,0|3,0,0]=4 1103 B13R1.572 COCCc1ccccc1[N+](=O)[O-] 7a_100000749287_200000210301 [0,1,0,0,0,0|3,0,0]=4 1104 B13R1.572 COCSc1ccccc1C(=O)C 62a_100000751169_100000766300 [0,1,0,0,0,0|1,1,0]=3 1105 B13R1.572 COCSc1ccccc1C(=O)N 62a_100000162227_100000766300 [0,1,0,0,0,0|0,1,0]=2 1106 B13R1.572 COCSc1ccccc1C(=O)N 62a_100000766300_100000162227 [0,1,0,0,0,0|0,1,0]=2 1107 B13R1.572 COCSc1ccccc1C(=O)O 62a_100000766300_100000734275 [0,1,0,0,0,0|1,1,0]=3 1108 B13R1.572 COCSc1ccccc1C(=O)O 62a_202125556159_100000766300 [0,1,0,0,0,0|1,1,0]=3 1109 B13R1.572 COCSc1ccccc1C(C)N 62a_100000181357_100000766300 [0,1,0,0,0,0|1,1,1]=4 1110 B13R1.572 COCSc1ccccc1C(C)N 62a_100000766300_100000181357 [0,1,0,0,0,0|1,1,1]=4 1111 B13R1.572 COCSc1ccccc1S(=O)C 62a_100000734199_100000766300 [0,1,0,0,0,0|2,1,0]=4 1112 B13R1.572 COCSc1cccnc1C(=O)C 62a_100000766300_100012348690 [0,1,0,0,0,0|2,1,0]=4 1113 B13R1.572 COCSc1cccnc1C(=O)C 62a_100012348690_100000766300 [0,1,0,0,0,0|2,1,0]=4 1114 B13R1.572 COCSc1cccnc1C(=O)N 62a_100000766300_200012359670 [0,1,0,0,0,0|1,1,0]=3 1115 B13R1.572 COCSc1cccnc1C(=O)N 62a_200012359670_100000766300 [0,1,0,0,0,0|1,1,0]=3 1116 B13R1.572 COCSc1ccncc1C(=O)C 62a_100000766300_100160469449 [0,1,0,0,0,0|2,1,0]=4 1117 B13R1.572 COCSc1ccncc1C(=O)C 62a_100160469449_100000766300 [0,1,0,0,0,0|2,1,0]=4 1118 B13R1.572 COCSc1ccncc1C(=O)N 62a_100000697804_100000766300 [0,1,0,0,0,0|1,1,0]=3 1119 B13R1.572 COCSc1ccncc1C(=O)N 62a_100000766300_100000697804 [0,1,0,0,0,0|1,1,0]=3 1120 B13R1.572 COCSc1cnccc1C(=O)C 62a_100000766300_100009993184 [0,1,0,0,0,0|2,1,0]=4 1121 B13R1.572 COCSc1cnccc1C(=O)C 62a_100009993184_100000766300 [0,1,0,0,0,0|2,1,0]=4 1122 B13R1.572 COCSc1cnccc1C(=O)N 62a_100000766300_100010205435 [0,1,0,0,0,0|1,1,0]=3 1123 B13R1.572 COCSc1cnccc1C(=O)N 62a_100010205435_100000766300 [0,1,0,0,0,0|1,1,0]=3 1124 B13R1.572 COCSc1ncccc1C(=O)C 62a_100000753718_100000766300 [0,1,0,0,0,0|2,1,0]=4 1125 B13R1.572 COCSc1ncccc1C(=O)C 62a_100000766300_100000753718 [0,1,0,0,0,0|2,1,0]=4 1126 B13R1.572 COCSc1ncccc1C(=O)N 62a_100000162199_100000766300 [0,1,0,0,0,0|1,1,0]=3 1127 B13R1.572 COCSc1ncccc1C(=O)N 62a_100000766300_100000162199 [0,1,0,0,0,0|1,1,0]=3 1128 B13R1.572 COCSc1nccnc1C(=O)N 62a_100000094861_100000766300 [0,1,0,0,0,0|2,1,0]=4 1129 B13R1.572 COCSc1nccnc1C(=O)N 62a_100000766300_100000094861 [0,1,0,0,0,0|2,1,0]=4 1130 B13R1.572 CS(=O)c1ccccc1SCCF 62a_100000734199_100011217306 [0,1,0,0,0,0|2,1,0]=4 1131 B13R1.572 CS(=O)c1ccccc1SCCO 62a_100000734199_100000211926 [0,1,0,0,0,0|2,1,0]=4 1132 B13R1.572 CSCNc1ccccc1C(=O)N 34a_100000185089_100011218213 [0,1,0,0,0,0|1,0,0]=2 1133 B13R1.572 CSCOc1ccccc1C(=O)N 34a_100000192804_100011218213 [0,1,0,0,0,0|0,0,0]=1 1134 B13R1.572 CSCOc1ccccc1C(C)C 34a_100000211617_100011218213 [0,1,0,0,0,0|2,0,1]=4 1135 B13R1.572 CSCOc1ccccc1C(C)O 34a_200011232679_100011218213 [0,1,0,0,0,0|1,0,2]=4 1136 B13R1.572 CSCOc1ccccc1[C@@H](C)N 34a_100025703389_100011218213 [0,1,0,0,0,0|1,0,1]=3 1137 B13R1.572 CSCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100011218213 [0,1,0,0,0,0|2,0,0]=3 1138 B13R1.572 CSCOc1cccnc1C(=O)C 34a_100000087166_100011218213 [0,1,0,0,0,0|2,0,0]=3 1139 B13R1.572 CSCOc1cccnc1C(=O)N 34a_200011215183_100011218213 [0,1,0,0,0,0|1,0,0]=2 1140 B13R1.572 CSCOc1ccncc1C(=O)N 34a_200011998761_100011218213 [0,1,0,0,0,0|1,0,0]=2 1141 B13R1.572 CSCOc1nccnc1C(=O)N 34a_100011830332_100011218213 [0,1,0,0,0,0|2,0,0]=3 1142 B13R1.572 CSCSc1ccccc1C(=O)C 62a_100000751169_100011218213 [0,1,0,0,0,0|1,1,0]=3 1143 B13R1.572 CSCSc1ccccc1C(=O)N 62a_100000162227_100011218213 [0,1,0,0,0,0|0,1,0]=2 1144 B13R1.572 CSCSc1ccccc1C(=O)N 62a_100011218213_100000162227 [0,1,0,0,0,0|0,1,0]=2 1145 B13R1.572 CSCSc1ccccc1C(=O)O 62a_100011218213_100000734275 [0,1,0,0,0,0|1,1,0]=3 1146 B13R1.572 CSCSc1ccccc1C(=O)O 62a_202125556159_100011218213 [0,1,0,0,0,0|1,1,0]=3 1147 B13R1.572 CSCSc1ccccc1C(C)N 62a_100000181357_100011218213 [0,1,0,0,0,0|1,1,1]=4 1148 B13R1.572 CSCSc1ccccc1C(C)N 62a_100011218213_100000181357 [0,1,0,0,0,0|1,1,1]=4 1149 B13R1.572 CSCSc1ccccc1S(=O)C 62a_100000734199_100011218213 [0,1,0,0,0,0|2,1,0]=4 1150 B13R1.572 CSCSc1cccnc1C(=O)C 62a_100011218213_100012348690 [0,1,0,0,0,0|2,1,0]=4 1151 B13R1.572 CSCSc1cccnc1C(=O)C 62a_100012348690_100011218213 [0,1,0,0,0,0|2,1,0]=4 1152 B13R1.572 CSCSc1cccnc1C(=O)N 62a_100011218213_200012359670 [0,1,0,0,0,0|1,1,0]=3 1153 B13R1.572 CSCSc1cccnc1C(=O)N 62a_200012359670_100011218213 [0,1,0,0,0,0|1,1,0]=3 1154 B13R1.572 CSCSc1ccncc1C(=O)C 62a_100011218213_100160469449 [0,1,0,0,0,0|2,1,0]=4 1155 B13R1.572 CSCSc1ccncc1C(=O)C 62a_100160469449_100011218213 [0,1,0,0,0,0|2,1,0]=4 1156 B13R1.572 CSCSc1ccncc1C(=O)N 62a_100000697804_100011218213 [0,1,0,0,0,0|1,1,0]=3 1157 B13R1.572 CSCSc1ccncc1C(=O)N 62a_100011218213_100000697804 [0,1,0,0,0,0|1,1,0]=3 1158 B13R1.572 CSCSc1cnccc1C(=O)C 62a_100009993184_100011218213 [0,1,0,0,0,0|2,1,0]=4 1159 B13R1.572 CSCSc1cnccc1C(=O)C 62a_100011218213_100009993184 [0,1,0,0,0,0|2,1,0]=4 1160 B13R1.572 CSCSc1cnccc1C(=O)N 62a_100010205435_100011218213 [0,1,0,0,0,0|1,1,0]=3 1161 B13R1.572 CSCSc1cnccc1C(=O)N 62a_100011218213_100010205435 [0,1,0,0,0,0|1,1,0]=3 1162 B13R1.572 CSCSc1ncccc1C(=O)C 62a_100000753718_100011218213 [0,1,0,0,0,0|2,1,0]=4 1163 B13R1.572 CSCSc1ncccc1C(=O)C 62a_100011218213_100000753718 [0,1,0,0,0,0|2,1,0]=4 1164 B13R1.572 CSCSc1ncccc1C(=O)N 62a_100000162199_100011218213 [0,1,0,0,0,0|1,1,0]=3 1165 B13R1.572 CSCSc1ncccc1C(=O)N 62a_100011218213_100000162199 [0,1,0,0,0,0|1,1,0]=3 1166 B13R1.572 CSCSc1nccnc1C(=O)N 62a_100000094861_100011218213 [0,1,0,0,0,0|2,1,0]=4 1167 B13R1.572 CSCSc1nccnc1C(=O)N 62a_100011218213_100000094861 [0,1,0,0,0,0|2,1,0]=4 1168 B13R1.572 C[C@@H](N)c1ccccc1OCC=O 34a_100025703389_200009817547 [0,1,0,0,0,0|1,0,2]=4 1169 B13R1.572 C[C@@H](N)c1ccccc1OCCF 34a_100025703389_100011217306 [0,1,0,0,0,0|1,0,1]=3 1170 B13R1.572 C[C@@H](N)c1ccccc1OCCO 34a_100025703389_100000211926 [0,1,0,0,0,0|1,0,1]=3 1171 B13R1.572 N#CCOc1ccccc1C(=O)N 7a_100000192804_100011215382 [0,1,0,0,0,0|0,0,1]=2 1172 B13R1.572 N#CCOc1ccccc1C(=O)[O-] 7a_100015234032_100011215382 [0,1,0,0,0,0|1,0,1]=3 1173 B13R1.572 N#CCOc1ccccc1C(=S)N 7a_100000745089_100011215382 [0,1,0,0,0,0|0,1,1]=3 1174 B13R1.572 N#CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100011215382 [0,1,0,0,0,0|2,0,1]=4 1175 B13R1.572 N#CCOc1cccnc1C(=O)N 7a_200011215183_100011215382 [0,1,0,0,0,0|1,0,1]=3 1176 B13R1.572 N#CCOc1cnccc1C(=O)N 7a_100012022987_100011215382 [0,1,0,0,0,0|1,0,1]=3 1177 B13R1.572 N#CCSc1ccccc1C(=O)N 62a_100000162227_100011215382 [0,1,0,0,0,0|0,1,1]=3 1178 B13R1.572 N#CCSc1ccccc1C(=O)N 62a_100011215382_100000162227 [0,1,0,0,0,0|0,1,1]=3 1179 B13R1.572 N#CCSc1ccccc1C(=O)O 62a_100011215382_100000734275 [0,1,0,0,0,0|1,1,1]=4 1180 B13R1.572 N#CCSc1ccccc1C(=O)O 62a_202125556159_100011215382 [0,1,0,0,0,0|1,1,1]=4 1181 B13R1.572 N#CCSc1cccnc1C(=O)N 62a_100011215382_200012359670 [0,1,0,0,0,0|1,1,1]=4 1182 B13R1.572 N#CCSc1cccnc1C(=O)N 62a_200012359670_100011215382 [0,1,0,0,0,0|1,1,1]=4 1183 B13R1.572 N#CCSc1ccncc1C(=O)N 62a_100000697804_100011215382 [0,1,0,0,0,0|1,1,1]=4 1184 B13R1.572 N#CCSc1ccncc1C(=O)N 62a_100011215382_100000697804 [0,1,0,0,0,0|1,1,1]=4 1185 B13R1.572 N#CCSc1cnccc1C(=O)N 62a_100010205435_100011215382 [0,1,0,0,0,0|1,1,1]=4 1186 B13R1.572 N#CCSc1cnccc1C(=O)N 62a_100011215382_100010205435 [0,1,0,0,0,0|1,1,1]=4 1187 B13R1.572 N#CCSc1ncccc1C(=O)N 62a_100000162199_100011215382 [0,1,0,0,0,0|1,1,1]=4 1188 B13R1.572 N#CCSc1ncccc1C(=O)N 62a_100011215382_100000162199 [0,1,0,0,0,0|1,1,1]=4 1189 B13R1.572 NC(=O)c1ccccc1NCC=O 34a_100000185089_200009817547 [0,1,0,0,0,0|1,0,1]=3 1190 B13R1.572 NC(=O)c1ccccc1NCCF 34a_100000185089_100011217306 [0,1,0,0,0,0|1,0,0]=2 1191 B13R1.572 NC(=O)c1ccccc1NCCO 34a_100000185089_100000211926 [0,1,0,0,0,0|1,0,0]=2 1192 B13R1.572 NC(=O)c1ccccc1OCC=O 34a_100000192804_200009817547 [0,1,0,0,0,0|0,0,1]=2 1193 B13R1.572 NC(=O)c1ccccc1OCC=O 7a_100000192804_200015260668 [0,1,0,0,0,0|0,0,1]=2 1194 B13R1.572 NC(=O)c1ccccc1OCCF 34a_100000192804_100011217306 [0,1,0,0,0,0|0,0,0]=1 1195 B13R1.572 NC(=O)c1ccccc1OCCF 7a_100000192804_100011217306 [0,1,0,0,0,0|0,0,0]=1 1196 B13R1.572 NC(=O)c1ccccc1OCCO 34a_100000192804_100000211926 [0,1,0,0,0,0|0,0,0]=1 1197 B13R1.572 NC(=O)c1ccccc1OCCO 7a_100000192804_100000211926 [0,1,0,0,0,0|0,0,0]=1 1198 B13R1.572 NC(=O)c1ccccc1SCC=O 62a_100000162227_200015260668 [0,1,0,0,0,0|0,1,1]=3 1199 B13R1.572 NC(=O)c1ccccc1SCC=O 62a_200015260668_100000162227 [0,1,0,0,0,0|0,1,1]=3 1200 B13R1.572 NC(=O)c1ccccc1SCCF 62a_100000162227_100011217306 [0,1,0,0,0,0|0,1,0]=2 1201 B13R1.572 NC(=O)c1ccccc1SCCF 62a_100011217306_100000162227 [0,1,0,0,0,0|0,1,0]=2 1202 B13R1.572 NC(=O)c1ccccc1SCCO 62a_100000162227_100000211926 [0,1,0,0,0,0|0,1,0]=2 1203 B13R1.572 NC(=O)c1ccccc1SCCO 62a_100000211926_100000162227 [0,1,0,0,0,0|0,1,0]=2 1204 B13R1.572 NC(=O)c1cccnc1NCCO 27a_100000210304_100000162199 [0,1,0,0,0,0|2,0,0]=3 1205 B13R1.572 NC(=O)c1cccnc1SCC=O 62a_100000162199_200015260668 [0,1,0,0,0,0|1,1,1]=4 1206 B13R1.572 NC(=O)c1cccnc1SCC=O 62a_200015260668_100000162199 [0,1,0,0,0,0|1,1,1]=4 1207 B13R1.572 NC(=O)c1cccnc1SCCF 62a_100000162199_100011217306 [0,1,0,0,0,0|1,1,0]=3 1208 B13R1.572 NC(=O)c1cccnc1SCCF 62a_100011217306_100000162199 [0,1,0,0,0,0|1,1,0]=3 1209 B13R1.572 NC(=O)c1cccnc1SCCO 62a_100000162199_100000211926 [0,1,0,0,0,0|1,1,0]=3 1210 B13R1.572 NC(=O)c1cccnc1SCCO 62a_100000211926_100000162199 [0,1,0,0,0,0|1,1,0]=3 1211 B13R1.572 NC(=O)c1ccncc1OCC=O 7a_100012022987_200015260668 [0,1,0,0,0,0|1,0,1]=3 1212 B13R1.572 NC(=O)c1ccncc1OCCF 7a_100012022987_100011217306 [0,1,0,0,0,0|1,0,0]=2 1213 B13R1.572 NC(=O)c1ccncc1OCCO 7a_100012022987_100000211926 [0,1,0,0,0,0|1,0,0]=2 1214 B13R1.572 NC(=O)c1ccncc1SCC=O 62a_100010205435_200015260668 [0,1,0,0,0,0|1,1,1]=4 1215 B13R1.572 NC(=O)c1ccncc1SCC=O 62a_200015260668_100010205435 [0,1,0,0,0,0|1,1,1]=4 1216 B13R1.572 NC(=O)c1ccncc1SCCF 62a_100010205435_100011217306 [0,1,0,0,0,0|1,1,0]=3 1217 B13R1.572 NC(=O)c1ccncc1SCCF 62a_100011217306_100010205435 [0,1,0,0,0,0|1,1,0]=3 1218 B13R1.572 NC(=O)c1ccncc1SCCO 62a_100000211926_100010205435 [0,1,0,0,0,0|1,1,0]=3 1219 B13R1.572 NC(=O)c1ccncc1SCCO 62a_100010205435_100000211926 [0,1,0,0,0,0|1,1,0]=3 1220 B13R1.572 NC(=O)c1cnccc1NCCO 27a_100000210304_100000697804 [0,1,0,0,0,0|2,0,0]=3 1221 B13R1.572 NC(=O)c1cnccc1OCC=O 34a_200011998761_200009817547 [0,1,0,0,0,0|1,0,1]=3 1222 B13R1.572 NC(=O)c1cnccc1OCCF 34a_200011998761_100011217306 [0,1,0,0,0,0|1,0,0]=2 1223 B13R1.572 NC(=O)c1cnccc1OCCO 34a_200011998761_100000211926 [0,1,0,0,0,0|1,0,0]=2 1224 B13R1.572 NC(=O)c1cnccc1SCC=O 62a_100000697804_200015260668 [0,1,0,0,0,0|1,1,1]=4 1225 B13R1.572 NC(=O)c1cnccc1SCC=O 62a_200015260668_100000697804 [0,1,0,0,0,0|1,1,1]=4 1226 B13R1.572 NC(=O)c1cnccc1SCCF 62a_100000697804_100011217306 [0,1,0,0,0,0|1,1,0]=3 1227 B13R1.572 NC(=O)c1cnccc1SCCF 62a_100011217306_100000697804 [0,1,0,0,0,0|1,1,0]=3 1228 B13R1.572 NC(=O)c1cnccc1SCCO 62a_100000211926_100000697804 [0,1,0,0,0,0|1,1,0]=3 1229 B13R1.572 NC(=O)c1cnccc1SCCO 62a_100000697804_100000211926 [0,1,0,0,0,0|1,1,0]=3 1230 B13R1.572 NC(=O)c1ncccc1NCCO 27a_100000210304_200012359670 [0,1,0,0,0,0|2,0,0]=3 1231 B13R1.572 NC(=O)c1ncccc1OCC=O 34a_200011215183_200009817547 [0,1,0,0,0,0|1,0,1]=3 1232 B13R1.572 NC(=O)c1ncccc1OCC=O 7a_200011215183_200015260668 [0,1,0,0,0,0|1,0,1]=3 1233 B13R1.572 NC(=O)c1ncccc1OCCF 34a_200011215183_100011217306 [0,1,0,0,0,0|1,0,0]=2 1234 B13R1.572 NC(=O)c1ncccc1OCCF 7a_200011215183_100011217306 [0,1,0,0,0,0|1,0,0]=2 1235 B13R1.572 NC(=O)c1ncccc1OCCO 34a_200011215183_100000211926 [0,1,0,0,0,0|1,0,0]=2 1236 B13R1.572 NC(=O)c1ncccc1OCCO 7a_200011215183_100000211926 [0,1,0,0,0,0|1,0,0]=2 1237 B13R1.572 NC(=O)c1ncccc1SCC=O 62a_200012359670_200015260668 [0,1,0,0,0,0|1,1,1]=4 1238 B13R1.572 NC(=O)c1ncccc1SCC=O 62a_200015260668_200012359670 [0,1,0,0,0,0|1,1,1]=4 1239 B13R1.572 NC(=O)c1ncccc1SCCF 62a_100011217306_200012359670 [0,1,0,0,0,0|1,1,0]=3 1240 B13R1.572 NC(=O)c1ncccc1SCCF 62a_200012359670_100011217306 [0,1,0,0,0,0|1,1,0]=3 1241 B13R1.572 NC(=O)c1ncccc1SCCO 62a_100000211926_200012359670 [0,1,0,0,0,0|1,1,0]=3 1242 B13R1.572 NC(=O)c1ncccc1SCCO 62a_200012359670_100000211926 [0,1,0,0,0,0|1,1,0]=3 1243 B13R1.572 NC(=O)c1nccnc1NCCO 27a_100000210304_100000094861 [0,1,0,0,0,0|3,0,0]=4 1244 B13R1.572 NC(=O)c1nccnc1OCC=O 34a_100011830332_200009817547 [0,1,0,0,0,0|2,0,1]=4 1245 B13R1.572 NC(=O)c1nccnc1OCCF 34a_100011830332_100011217306 [0,1,0,0,0,0|2,0,0]=3 1246 B13R1.572 NC(=O)c1nccnc1OCCO 34a_100011830332_100000211926 [0,1,0,0,0,0|2,0,0]=3 1247 B13R1.572 NC(=O)c1nccnc1SCCF 62a_100000094861_100011217306 [0,1,0,0,0,0|2,1,0]=4 1248 B13R1.572 NC(=O)c1nccnc1SCCF 62a_100011217306_100000094861 [0,1,0,0,0,0|2,1,0]=4 1249 B13R1.572 NC(=O)c1nccnc1SCCO 62a_100000094861_100000211926 [0,1,0,0,0,0|2,1,0]=4 1250 B13R1.572 NC(=O)c1nccnc1SCCO 62a_100000211926_100000094861 [0,1,0,0,0,0|2,1,0]=4 1251 B13R1.572 NC(=S)c1ccccc1OCC=O 7a_100000745089_200015260668 [0,1,0,0,0,0|0,1,1]=3 1252 B13R1.572 NC(=S)c1ccccc1OCCF 7a_100000745089_100011217306 [0,1,0,0,0,0|0,1,0]=2 1253 B13R1.572 NC(=S)c1ccccc1OCCO 7a_100000745089_100000211926 [0,1,0,0,0,0|0,1,0]=2 1254 B13R1.572 O=C(O)c1ccccc1CNCF 269956a_100015183376_100015361967 [0,1,0,0,0,0|3,0,0]=4 1255 B13R1.572 O=C(O)c1ccccc1SCCF 62a_100011217306_100000734275 [0,1,0,0,0,0|1,1,0]=3 1256 B13R1.572 O=C(O)c1ccccc1SCCF 62a_202125556159_100011217306 [0,1,0,0,0,0|1,1,0]=3 1257 B13R1.572 O=C(O)c1ccccc1SCCO 62a_100000211926_100000734275 [0,1,0,0,0,0|1,1,0]=3 1258 B13R1.572 O=C(O)c1ccccc1SCCO 62a_202125556159_100000211926 [0,1,0,0,0,0|1,1,0]=3 1259 B13R1.572 O=C([O-])c1ccccc1OCCF 7a_100015234032_100011217306 [0,1,0,0,0,0|1,0,0]=2 1260 B13R1.572 O=C([O-])c1ccccc1OCCO 7a_100015234032_100000211926 [0,1,0,0,0,0|1,0,0]=2 1261 B13R1.572 O=CCOc1ccccc1C(=O)[O-] 7a_100015234032_200015260668 [0,1,0,0,0,0|1,0,1]=3 1262 B13R1.572 O=CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_200009817547 [0,1,0,0,0,0|2,0,1]=4 1263 B13R1.572 O=CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_200015260668 [0,1,0,0,0,0|2,0,1]=4 1264 B13R1.572 O=CCSc1ccccc1C(=O)O 62a_200015260668_100000734275 [0,1,0,0,0,0|1,1,1]=4 1265 B13R1.572 O=CCSc1ccccc1C(=O)O 62a_202125556159_200015260668 [0,1,0,0,0,0|1,1,1]=4 1266 B13R1.572 O=[N+]([O-])c1ccccc1COCF 7a_100011218404_100015361967 [0,1,0,0,0,0|3,0,0]=4 1267 B13R1.572 O=[N+]([O-])c1ccccc1OCCF 34a_100000186319_100011217306 [0,1,0,0,0,0|2,0,0]=3 1268 B13R1.572 O=[N+]([O-])c1ccccc1OCCF 7a_100000186319_100011217306 [0,1,0,0,0,0|2,0,0]=3 1269 B13R1.572 O=[N+]([O-])c1ccccc1OCCO 34a_100000186319_100000211926 [0,1,0,0,0,0|2,0,0]=3 1270 B13R1.572 O=[N+]([O-])c1ccccc1OCCO 7a_100000186319_100000211926 [0,1,0,0,0,0|2,0,0]=3 1271 B13R1.572 O=[N+]([O-])c1ncccc1OCCF 7a_100000183951_100011217306 [0,1,0,0,0,0|3,0,0]=4 1272 B13R1.572 O=[N+]([O-])c1ncccc1OCCO 7a_100000183951_100000211926 [0,1,0,0,0,0|3,0,0]=4 1273 B13R1.572 [13CH3]C(=O)c1ccccc1OCCO 1458a_200000217288_200025704644 [0,1,0,0,0,0|1,0,0]=2 1274 B13R1.572 [13CH3]NCCc1ccccc1[N+](=O)[O-] 2230a_100000723993_200025704644 [0,1,0,0,0,0|3,0,0]=4 1275 B13R1.572 [13CH3]OCCc1ccccc1[N+](=O)[O-] 34a_100000749287_200025704644 [0,1,0,0,0,0|3,0,0]=4 1276 B13R1.572 [13CH3]OCCc1ccccc1[N+](=O)[O-] 7a_100000749287_200025704644 [0,1,0,0,0,0|3,0,0]=4 1277 B13R1.589 C=C(C)c1ccccc1NC(C)C 271570a_100000694244_100000219599 [0,1,0,0,0,0|3,0,0]=4 1278 B13R1.589 C=C(C)c1ccccc1NC(C)C 34a_100000037685_100000210206 [0,1,0,0,0,0|3,0,0]=4 1279 B13R1.589 C=C(C)c1ccccc1OC(=O)C 271570a_100000694244_100000051690 [0,1,0,0,0,0|2,0,1]=4 1280 B13R1.589 C=C(C)c1ccccc1OC(C)C 271570a_100000694244_100000173919 [0,1,0,0,0,0|2,0,0]=3 1281 B13R1.589 C=C(C)c1ccccc1OC(F)F 271570a_100000694244_100000742724 [0,1,0,0,0,0|3,0,0]=4 1282 B13R1.589 C=C(C)c1cccnc1OC(C)C 271570a_100000694244_200011465186 [0,1,0,0,0,0|3,0,0]=4 1283 B13R1.589 CC(=Cc1ccccc1C(=O)N)C 271570a_100102525489_100000162227 [0,1,0,0,0,0|1,0,1]=3 1284 B13R1.589 CC(=Cc1cccnc1C(=O)N)C 271570a_100102525489_200012359670 [0,1,0,0,0,0|2,0,1]=4 1285 B13R1.589 CC(=Cc1ccncc1C(=O)N)C 271570a_100102525489_100000697804 [0,1,0,0,0,0|2,0,1]=4 1286 B13R1.589 CC(=Cc1cnccc1C(=O)N)C 271570a_100102525489_100010205435 [0,1,0,0,0,0|2,0,1]=4 1287 B13R1.589 CC(=Cc1ncccc1C(=O)N)C 271570a_100102525489_100000162199 [0,1,0,0,0,0|2,0,1]=4 1288 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100015343762 [0,1,0,0,0,0|1,0,1]=3 1289 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100015343762 [0,1,0,0,0,0|1,0,1]=3 1290 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000070787 [0,1,0,0,0,0|1,0,1]=3 1291 B13R1.589 CC(=O)Nc1ccccc1C(=S)N 1626a_100000206033_100015343762 [0,1,0,0,0,0|1,1,1]=4 1292 B13R1.589 CC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000751169 [0,1,0,0,0,0|2,0,1]=4 1293 B13R1.589 CC(=O)c1ccccc1CN(C)C 1458a_100000743624_200000210301 [0,1,0,0,0,0|3,0,0]=4 1294 B13R1.589 CC(=O)c1ccccc1OC(C)C 1458a_100000244644_200000210301 [0,1,0,0,0,0|1,0,0]=2 1295 B13R1.589 CC(=O)c1ccccc1OC(F)F 1458a_100000184405_200000210301 [0,1,0,0,0,0|2,0,0]=3 1296 B13R1.589 CC(=O)c1ccccc1SC(C)C 1458a_100000229993_200000210301 [0,1,0,0,0,0|1,1,0]=3 1297 B13R1.589 CC(=O)c1ccccc1SC(C)C 62a_100000751169_100000210206 [0,1,0,0,0,0|1,1,0]=3 1298 B13R1.589 CC(=O)c1ccccc1SC(F)F 1458a_100000185210_200000210301 [0,1,0,0,0,0|2,1,0]=4 1299 B13R1.589 CC(=O)c1cccnc1NC(C)C 27a_100138425928_100009816689 [0,1,0,0,0,0|3,0,0]=4 1300 B13R1.589 CC(=O)c1cccnc1SC(C)C 62a_100000210206_100000753718 [0,1,0,0,0,0|2,1,0]=4 1301 B13R1.589 CC(=O)c1cccnc1SC(C)C 62a_100000753718_100000210206 [0,1,0,0,0,0|2,1,0]=4 1302 B13R1.589 CC(=O)c1ccncc1OC(C)C 7a_100009872882_100000210206 [0,1,0,0,0,0|2,0,0]=3 1303 B13R1.589 CC(=O)c1ccncc1SC(C)C 62a_100000210206_100009993184 [0,1,0,0,0,0|2,1,0]=4 1304 B13R1.589 CC(=O)c1ccncc1SC(C)C 62a_100009993184_100000210206 [0,1,0,0,0,0|2,1,0]=4 1305 B13R1.589 CC(=O)c1cnccc1NC(C)C 27a_100138425928_100160469449 [0,1,0,0,0,0|3,0,0]=4 1306 B13R1.589 CC(=O)c1cnccc1SC(C)C 62a_100000210206_100160469449 [0,1,0,0,0,0|2,1,0]=4 1307 B13R1.589 CC(=O)c1cnccc1SC(C)C 62a_100160469449_100000210206 [0,1,0,0,0,0|2,1,0]=4 1308 B13R1.589 CC(=O)c1ncccc1OC(C)C 34a_100000087166_100000210206 [0,1,0,0,0,0|2,0,0]=3 1309 B13R1.589 CC(=O)c1ncccc1OC(C)C 7a_100000087166_100000210206 [0,1,0,0,0,0|2,0,0]=3 1310 B13R1.589 CC(=O)c1ncccc1SC(C)C 62a_100000210206_100012348690 [0,1,0,0,0,0|2,1,0]=4 1311 B13R1.589 CC(=O)c1ncccc1SC(C)C 62a_100012348690_100000210206 [0,1,0,0,0,0|2,1,0]=4 1312 B13R1.589 CC(C)Nc1ccccc1C(=O)N 34a_100000185089_100000210206 [0,1,0,0,0,0|1,0,0]=2 1313 B13R1.589 CC(C)Nc1cccnc1C(=O)N 27a_100138425928_200012359670 [0,1,0,0,0,0|2,0,0]=3 1314 B13R1.589 CC(C)Nc1ccncc1C(=O)N 27a_100138425928_100000697804 [0,1,0,0,0,0|2,0,0]=3 1315 B13R1.589 CC(C)Nc1ncccc1C(=O)N 27a_100138425928_100000162199 [0,1,0,0,0,0|2,0,0]=3 1316 B13R1.589 CC(C)Nc1nccnc1C(=O)N 27a_100138425928_100000094861 [0,1,0,0,0,0|3,0,0]=4 1317 B13R1.589 CC(C)Oc1ccccc1C(=O)N 34a_100000192804_100000210206 [0,1,0,0,0,0|0,0,0]=1 1318 B13R1.589 CC(C)Oc1ccccc1C(=O)N 7a_100000192804_100000210206 [0,1,0,0,0,0|0,0,0]=1 1319 B13R1.589 CC(C)Oc1ccccc1C(=O)[13CH3] 1458a_100000244644_200025704644 [0,1,0,0,0,0|1,0,0]=2 1320 B13R1.589 CC(C)Oc1ccccc1C(=O)[O-] 7a_100015234032_100000210206 [0,1,0,0,0,0|1,0,0]=2 1321 B13R1.589 CC(C)Oc1ccccc1C(=S)N 7a_100000745089_100000210206 [0,1,0,0,0,0|0,1,0]=2 1322 B13R1.589 CC(C)Oc1ccccc1C(C)C 34a_100000211617_100000210206 [0,1,0,0,0,0|2,0,1]=4 1323 B13R1.589 CC(C)Oc1ccccc1C(C)C 7a_100000211617_100000210206 [0,1,0,0,0,0|2,0,1]=4 1324 B13R1.589 CC(C)Oc1ccccc1C(C)O 34a_200011232679_100000210206 [0,1,0,0,0,0|1,0,2]=4 1325 B13R1.589 CC(C)Oc1ccccc1C(C)O 7a_200011232679_100000210206 [0,1,0,0,0,0|1,0,2]=4 1326 B13R1.589 CC(C)Oc1ccccc1[C@@H](C)N 34a_100025703389_100000210206 [0,1,0,0,0,0|1,0,1]=3 1327 B13R1.589 CC(C)Oc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210206 [0,1,0,0,0,0|2,0,0]=3 1328 B13R1.589 CC(C)Oc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210206 [0,1,0,0,0,0|2,0,0]=3 1329 B13R1.589 CC(C)Oc1cccnc1C(=O)N 34a_200011215183_100000210206 [0,1,0,0,0,0|1,0,0]=2 1330 B13R1.589 CC(C)Oc1cccnc1C(=O)N 7a_200011215183_100000210206 [0,1,0,0,0,0|1,0,0]=2 1331 B13R1.589 CC(C)Oc1cccnc1[N+](=O)[O-] 7a_100000183951_100000210206 [0,1,0,0,0,0|3,0,0]=4 1332 B13R1.589 CC(C)Oc1ccncc1C(=O)N 34a_200011998761_100000210206 [0,1,0,0,0,0|1,0,0]=2 1333 B13R1.589 CC(C)Oc1cnccc1C(=O)N 7a_100012022987_100000210206 [0,1,0,0,0,0|1,0,0]=2 1334 B13R1.589 CC(C)Oc1nccnc1C(=O)N 34a_100011830332_100000210206 [0,1,0,0,0,0|2,0,0]=3 1335 B13R1.589 CC(C)Sc1ccccc1C(=O)N 62a_100000162227_100000210206 [0,1,0,0,0,0|0,1,0]=2 1336 B13R1.589 CC(C)Sc1ccccc1C(=O)N 62a_100000210206_100000162227 [0,1,0,0,0,0|0,1,0]=2 1337 B13R1.589 CC(C)Sc1ccccc1C(=O)O 62a_100000210206_100000734275 [0,1,0,0,0,0|1,1,0]=3 1338 B13R1.589 CC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000210206 [0,1,0,0,0,0|1,1,0]=3 1339 B13R1.589 CC(C)Sc1ccccc1C(=O)[13CH3] 1458a_100000229993_200025704644 [0,1,0,0,0,0|1,1,0]=3 1340 B13R1.589 CC(C)Sc1ccccc1C(C)N 62a_100000181357_100000210206 [0,1,0,0,0,0|1,1,1]=4 1341 B13R1.589 CC(C)Sc1ccccc1C(C)N 62a_100000210206_100000181357 [0,1,0,0,0,0|1,1,1]=4 1342 B13R1.589 CC(C)Sc1ccccc1S(=O)C 62a_100000734199_100000210206 [0,1,0,0,0,0|2,1,0]=4 1343 B13R1.589 CC(C)Sc1cccnc1C(=O)N 62a_100000210206_200012359670 [0,1,0,0,0,0|1,1,0]=3 1344 B13R1.589 CC(C)Sc1cccnc1C(=O)N 62a_200012359670_100000210206 [0,1,0,0,0,0|1,1,0]=3 1345 B13R1.589 CC(C)Sc1ccncc1C(=O)N 62a_100000210206_100000697804 [0,1,0,0,0,0|1,1,0]=3 1346 B13R1.589 CC(C)Sc1ccncc1C(=O)N 62a_100000697804_100000210206 [0,1,0,0,0,0|1,1,0]=3 1347 B13R1.589 CC(C)Sc1cnccc1C(=O)N 62a_100000210206_100010205435 [0,1,0,0,0,0|1,1,0]=3 1348 B13R1.589 CC(C)Sc1cnccc1C(=O)N 62a_100010205435_100000210206 [0,1,0,0,0,0|1,1,0]=3 1349 B13R1.589 CC(C)Sc1ncccc1C(=O)N 62a_100000162199_100000210206 [0,1,0,0,0,0|1,1,0]=3 1350 B13R1.589 CC(C)Sc1ncccc1C(=O)N 62a_100000210206_100000162199 [0,1,0,0,0,0|1,1,0]=3 1351 B13R1.589 CC(C)Sc1nccnc1C(=O)N 62a_100000094861_100000210206 [0,1,0,0,0,0|2,1,0]=4 1352 B13R1.589 CC(C)Sc1nccnc1C(=O)N 62a_100000210206_100000094861 [0,1,0,0,0,0|2,1,0]=4 1353 B13R1.589 CN(C)Cc1ccccc1C(=O)[13CH3] 1458a_100000743624_200025704644 [0,1,0,0,0,0|3,0,0]=4 1354 B13R1.589 [13CH3]C(=O)c1ccccc1OC(F)F 1458a_100000184405_200025704644 [0,1,0,0,0,0|2,0,0]=3 1355 B13R1.589 [13CH3]C(=O)c1ccccc1SC(F)F 1458a_100000185210_200025704644 [0,1,0,0,0,0|2,1,0]=4 1356 B13R1.2897 C=C=Cc1cccc(c1C(=O)N)Cl 271570a_100015277604_100010147686 [0,1,0,0,0,0|1,0,2]=4 1357 B13R1.2897 C=C=Cc1cccc(c1C(=O)N)F 271570a_100015277604_100011219063 [0,1,0,0,0,0|1,0,2]=4 1358 B13R1.2897 CC(=O)c1c(cccc1OCF)Br 34a_100010174959_100015361967 [0,1,0,0,0,0|2,0,0]=3 1359 B13R1.2897 CC(=O)c1c(cccc1OCF)Br 7a_100010174959_100015361967 [0,1,0,0,0,0|2,0,0]=3 1360 B13R1.2897 CC(=O)c1c(cccc1OCF)C 34a_100009860897_100015361967 [0,1,0,0,0,0|2,0,0]=3 1361 B13R1.2897 CC(=O)c1c(cccc1OCF)C 7a_100009860897_100015361967 [0,1,0,0,0,0|2,0,0]=3 1362 B13R1.2897 CC(=O)c1c(cccc1OCF)Cl 34a_100000730630_100015361967 [0,1,0,0,0,0|2,0,0]=3 1363 B13R1.2897 CC(=O)c1c(cccc1OCF)Cl 7a_100000730630_100015361967 [0,1,0,0,0,0|2,0,0]=3 1364 B13R1.2897 CC(=O)c1c(cccc1OCF)F 34a_100011216272_100015361967 [0,1,0,0,0,0|2,0,0]=3 1365 B13R1.2897 CC(=O)c1c(cccc1OCF)F 7a_100011216272_100015361967 [0,1,0,0,0,0|2,0,0]=3 1366 B13R1.2897 CC(=O)c1c(cccc1SCF)F 62a_100012351873_100015361967 [0,1,0,0,0,0|2,1,0]=4 1367 B13R1.2897 CC=Cc1cccc(c1C(=O)C)F 271570a_100016259895_100012351873 [0,1,0,0,0,0|2,0,1]=4 1368 B13R1.2897 CC=Cc1cccc(c1C(=O)C)O 271570a_100016259895_100010174959 [0,1,0,0,0,0|2,0,1]=4 1369 B13R1.2897 CC=Cc1cccc(c1C(=O)N)Cl 271570a_100016259895_100010147686 [0,1,0,0,0,0|1,0,1]=3 1370 B13R1.2897 CC=Cc1cccc(c1C(=O)N)F 271570a_100016259895_100011219063 [0,1,0,0,0,0|1,0,1]=3 1371 B13R1.2897 CC=Cc1cncc(c1C(=O)N)F 271570a_100016259895_100010271514 [0,1,0,0,0,0|2,0,1]=4 1372 B13R1.2897 CCNc1cccc(c1C(=O)N)C 34a_100102558177_100000210202 [0,1,0,0,0,0|1,0,0]=2 1373 B13R1.2897 CCNc1cccc(c1C(=O)N)C 7a_100102558177_100000210202 [0,1,0,0,0,0|1,0,0]=2 1374 B13R1.2897 CCNc1cccc(c1C(=O)N)Cl 34a_100000764435_100000210202 [0,1,0,0,0,0|1,0,0]=2 1375 B13R1.2897 CCNc1cccc(c1C(=O)N)Cl 7a_100000764435_100000210202 [0,1,0,0,0,0|1,0,0]=2 1376 B13R1.2897 CCNc1cccc(c1C(=O)N)F 27a_100015525214_100011219063 [0,1,0,0,0,0|1,0,0]=2 1377 B13R1.2897 CCNc1cccc(c1C(=O)N)F 34a_100000036109_100000210202 [0,1,0,0,0,0|1,0,0]=2 1378 B13R1.2897 CCNc1cccc(c1C(=O)N)F 7a_100000036109_100000210202 [0,1,0,0,0,0|1,0,0]=2 1379 B13R1.2897 CCNc1cccc(c1[N+](=O)[O-])C 34a_100011424894_100000210202 [0,1,0,0,0,0|3,0,0]=4 1380 B13R1.2897 CCNc1cccc(c1[N+](=O)[O-])F 34a_100011219493_100000210202 [0,1,0,0,0,0|3,0,0]=4 1381 B13R1.2897 CCOc1cccc(c1C(=O)C)Br 34a_100010174959_100000210202 [0,1,0,0,0,0|1,0,0]=2 1382 B13R1.2897 CCOc1cccc(c1C(=O)C)Br 7a_100010174959_100000210202 [0,1,0,0,0,0|1,0,0]=2 1383 B13R1.2897 CCOc1cccc(c1C(=O)C)C 1458a_200009913675_200000210301 [0,1,0,0,0,0|1,0,0]=2 1384 B13R1.2897 CCOc1cccc(c1C(=O)C)C 34a_100009860897_100000210202 [0,1,0,0,0,0|1,0,0]=2 1385 B13R1.2897 CCOc1cccc(c1C(=O)C)C 7a_100009860897_100000210202 [0,1,0,0,0,0|1,0,0]=2 1386 B13R1.2897 CCOc1cccc(c1C(=O)C)Cl 34a_100000730630_100000210202 [0,1,0,0,0,0|1,0,0]=2 1387 B13R1.2897 CCOc1cccc(c1C(=O)C)Cl 7a_100000730630_100000210202 [0,1,0,0,0,0|1,0,0]=2 1388 B13R1.2897 CCOc1cccc(c1C(=O)C)F 34a_100011216272_100000210202 [0,1,0,0,0,0|1,0,0]=2 1389 B13R1.2897 CCOc1cccc(c1C(=O)C)F 7a_100011216272_100000210202 [0,1,0,0,0,0|1,0,0]=2 1390 B13R1.2897 CCOc1cccc(c1C(=O)N)F 34a_100000701607_100000210202 [0,1,0,0,0,0|0,0,0]=1 1391 B13R1.2897 CCOc1cccc(c1C(=O)N)F 7a_100000701607_100000210202 [0,1,0,0,0,0|0,0,0]=1 1392 B13R1.2897 CCOc1cccc(c1C(=O)[13CH3])C 1458a_200009913675_200025704644 [0,1,0,0,0,0|1,0,0]=2 1393 B13R1.2897 CCOc1cccc(c1[N+](=O)[O-])Br 34a_100011934925_100000210202 [0,1,0,0,0,0|2,0,0]=3 1394 B13R1.2897 CCOc1cccc(c1[N+](=O)[O-])Br 7a_100011934925_100000210202 [0,1,0,0,0,0|2,0,0]=3 1395 B13R1.2897 CCOc1cccc(c1[N+](=O)[O-])C 34a_100000740142_100000210202 [0,1,0,0,0,0|2,0,0]=3 1396 B13R1.2897 CCOc1cccc(c1[N+](=O)[O-])C 7a_100000740142_100000210202 [0,1,0,0,0,0|2,0,0]=3 1397 B13R1.2897 CCOc1cccc(c1[N+](=O)[O-])Cl 34a_100011999376_100000210202 [0,1,0,0,0,0|2,0,0]=3 1398 B13R1.2897 CCOc1cccc(c1[N+](=O)[O-])Cl 7a_100011999376_100000210202 [0,1,0,0,0,0|2,0,0]=3 1399 B13R1.2897 CCOc1cccc(c1[N+](=O)[O-])F 34a_100011217962_100000210202 [0,1,0,0,0,0|2,0,0]=3 1400 B13R1.2897 CCOc1cccc(c1[N+](=O)[O-])F 7a_100011217962_100000210202 [0,1,0,0,0,0|2,0,0]=3 1401 B13R1.2897 CCOc1cccc(c1[N+](=O)[O-])I 7a_100010150324_100000210202 [0,1,0,0,0,0|2,0,0]=3 1402 B13R1.2897 CCSc1cccc(c1C(=O)C)F 62a_100012351873_100000210202 [0,1,0,0,0,0|1,1,0]=3 1403 B13R1.2897 CCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100000210202 [0,1,0,0,0,0|0,1,0]=2 1404 B13R1.2897 CCSc1cccc(c1C(=O)N)F 62a_100011219063_100000210202 [0,1,0,0,0,0|0,1,0]=2 1405 B13R1.2897 CCSc1cncc(c1C(=O)N)F 62a_100000210202_100010271514 [0,1,0,0,0,0|1,1,0]=3 1406 B13R1.2897 CCSc1cncc(c1C(=O)N)F 62a_100010271514_100000210202 [0,1,0,0,0,0|1,1,0]=3 1407 B13R1.2897 CCSc1nccc(c1C(=O)C)N 62a_100000210202_200010729368 [0,1,0,0,0,0|2,1,0]=4 1408 B13R1.2897 CCSc1nccc(c1C(=O)C)N 62a_200010729368_100000210202 [0,1,0,0,0,0|2,1,0]=4 1409 B13R1.2897 CNCc1cccc(c1C(=O)C)Br 26a_100102657272_100010174959 [0,1,0,0,0,0|3,0,0]=4 1410 B13R1.2897 Cc1cccc(c1C(=O)N)NCF 34a_100102558177_100015361967 [0,1,0,0,0,0|2,0,0]=3 1411 B13R1.2897 Cc1cccc(c1C(=O)N)NCF 7a_100102558177_100015361967 [0,1,0,0,0,0|2,0,0]=3 1412 B13R1.2897 Cc1cccc(c1[N+](=O)[O-])OCF 34a_100000740142_100015361967 [0,1,0,0,0,0|3,0,0]=4 1413 B13R1.2897 Cc1cccc(c1[N+](=O)[O-])OCF 7a_100000740142_100015361967 [0,1,0,0,0,0|3,0,0]=4 1414 B13R1.2897 NC(=O)c1c(cccc1NCF)Cl 34a_100000764435_100015361967 [0,1,0,0,0,0|2,0,0]=3 1415 B13R1.2897 NC(=O)c1c(cccc1NCF)Cl 7a_100000764435_100015361967 [0,1,0,0,0,0|2,0,0]=3 1416 B13R1.2897 NC(=O)c1c(cccc1NCF)F 34a_100000036109_100015361967 [0,1,0,0,0,0|2,0,0]=3 1417 B13R1.2897 NC(=O)c1c(cccc1NCF)F 7a_100000036109_100015361967 [0,1,0,0,0,0|2,0,0]=3 1418 B13R1.2897 NC(=O)c1c(cccc1OCF)F 34a_100000701607_100015361967 [0,1,0,0,0,0|1,0,0]=2 1419 B13R1.2897 NC(=O)c1c(cccc1OCF)F 7a_100000701607_100015361967 [0,1,0,0,0,0|1,0,0]=2 1420 B13R1.2897 NC(=O)c1c(cccc1SCF)Cl 62a_100010147686_100015361967 [0,1,0,0,0,0|1,1,0]=3 1421 B13R1.2897 NC(=O)c1c(cccc1SCF)F 62a_100011219063_100015361967 [0,1,0,0,0,0|1,1,0]=3 1422 B13R1.2897 NC(=O)c1c(cncc1SCF)F 62a_100010271514_100015361967 [0,1,0,0,0,0|2,1,0]=4 1423 B13R1.2897 NC(=O)c1c(cncc1SCF)F 62a_100015361967_100010271514 [0,1,0,0,0,0|2,1,0]=4 1424 B13R1.2897 O=[N+]([O-])c1c(cccc1OCF)Br 34a_100011934925_100015361967 [0,1,0,0,0,0|3,0,0]=4 1425 B13R1.2897 O=[N+]([O-])c1c(cccc1OCF)Br 7a_100011934925_100015361967 [0,1,0,0,0,0|3,0,0]=4 1426 B13R1.2897 O=[N+]([O-])c1c(cccc1OCF)Cl 34a_100011999376_100015361967 [0,1,0,0,0,0|3,0,0]=4 1427 B13R1.2897 O=[N+]([O-])c1c(cccc1OCF)Cl 7a_100011999376_100015361967 [0,1,0,0,0,0|3,0,0]=4 1428 B13R1.2897 O=[N+]([O-])c1c(cccc1OCF)F 34a_100011217962_100015361967 [0,1,0,0,0,0|3,0,0]=4 1429 B13R1.2897 O=[N+]([O-])c1c(cccc1OCF)F 7a_100011217962_100015361967 [0,1,0,0,0,0|3,0,0]=4 1430 B13R1.2897 O=[N+]([O-])c1c(cccc1OCF)I 7a_100010150324_100015361967 [0,1,0,0,0,0|3,0,0]=4 1431 B13R1.4012 C=C(C)c1cccc(c1OCC)F 271570a_100000694244_100010232518 [0,1,0,0,0,0|2,0,0]=3 1432 B13R1.4012 C=C=Cc1c(cccc1C(=O)N)C 271570a_100015277604_200011409216 [0,1,0,0,0,0|1,0,2]=4 1433 B13R1.4012 C=C=Cc1c(cccc1C(=O)N)F 271570a_100015277604_200012351544 [0,1,0,0,0,0|1,0,2]=4 1434 B13R1.4012 CC(=O)c1cccc(c1OCF)C 34a_100009847209_100015361967 [0,1,0,0,0,0|2,0,0]=3 1435 B13R1.4012 CC(=O)c1cccc(c1OCF)C 7a_100009847209_100015361967 [0,1,0,0,0,0|2,0,0]=3 1436 B13R1.4012 CC(=O)c1cccc(c1OCF)Cl 34a_100000043392_100015361967 [0,1,0,0,0,0|2,0,0]=3 1437 B13R1.4012 CC(=O)c1cccc(c1OCF)Cl 7a_100000043392_100015361967 [0,1,0,0,0,0|2,0,0]=3 1438 B13R1.4012 CC(=O)c1cccc(c1OCF)F 34a_100011246037_100015361967 [0,1,0,0,0,0|2,0,0]=3 1439 B13R1.4012 CC(=O)c1cccc(c1OCF)F 7a_100011246037_100015361967 [0,1,0,0,0,0|2,0,0]=3 1440 B13R1.4012 CC(=O)c1cccc(c1SCF)F 62a_100012362612_100015361967 [0,1,0,0,0,0|2,1,0]=4 1441 B13R1.4012 CC(=O)c1cccc(c1SCF)F 62a_100015361967_100012362612 [0,1,0,0,0,0|2,1,0]=4 1442 B13R1.4012 CC=Cc1c(cccc1C(=O)C)F 271570a_100016259895_100012362612 [0,1,0,0,0,0|2,0,1]=4 1443 B13R1.4012 CC=Cc1c(cccc1C(=O)N)C 271570a_100016259895_200011409216 [0,1,0,0,0,0|1,0,1]=3 1444 B13R1.4012 CC=Cc1c(cccc1C(=O)N)F 271570a_100016259895_200012351544 [0,1,0,0,0,0|1,0,1]=3 1445 B13R1.4012 CCNc1c(cccc1C(=O)N)C 34a_100000223273_100000210202 [0,1,0,0,0,0|1,0,0]=2 1446 B13R1.4012 CCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100000210202 [0,1,0,0,0,0|1,0,0]=2 1447 B13R1.4012 CCNc1c(cccc1C(=O)N)F 34a_100011722151_100000210202 [0,1,0,0,0,0|1,0,0]=2 1448 B13R1.4012 CCNc1c(cccc1[N+](=O)[O-])F 34a_100000687224_100000210202 [0,1,0,0,0,0|3,0,0]=4 1449 B13R1.4012 CCOc1c(cccc1C(=O)C)C 34a_100009847209_100000210202 [0,1,0,0,0,0|1,0,0]=2 1450 B13R1.4012 CCOc1c(cccc1C(=O)C)C 7a_100009847209_100000210202 [0,1,0,0,0,0|1,0,0]=2 1451 B13R1.4012 CCOc1c(cccc1C(=O)C)Cl 34a_100000043392_100000210202 [0,1,0,0,0,0|1,0,0]=2 1452 B13R1.4012 CCOc1c(cccc1C(=O)C)Cl 7a_100000043392_100000210202 [0,1,0,0,0,0|1,0,0]=2 1453 B13R1.4012 CCOc1c(cccc1C(=O)C)F 34a_100011246037_100000210202 [0,1,0,0,0,0|1,0,0]=2 1454 B13R1.4012 CCOc1c(cccc1C(=O)C)F 7a_100011246037_100000210202 [0,1,0,0,0,0|1,0,0]=2 1455 B13R1.4012 CCOc1c(cccc1C(=O)N)Cl 34a_100009868166_100000210202 [0,1,0,0,0,0|0,0,0]=1 1456 B13R1.4012 CCOc1c(cccc1C(=O)N)Cl 7a_100009868166_100000210202 [0,1,0,0,0,0|0,0,0]=1 1457 B13R1.4012 CCOc1c(cccc1C(=O)N)F 34a_100009886295_100000210202 [0,1,0,0,0,0|0,0,0]=1 1458 B13R1.4012 CCOc1c(cccc1C(=O)N)F 7a_100009886295_100000210202 [0,1,0,0,0,0|0,0,0]=1 1459 B13R1.4012 CCOc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_100000210202 [0,1,0,0,0,0|2,0,0]=3 1460 B13R1.4012 CCOc1c(cccc1[N+](=O)[O-])C 34a_100000763257_100000210202 [0,1,0,0,0,0|2,0,0]=3 1461 B13R1.4012 CCOc1c(cccc1[N+](=O)[O-])C 7a_100000763257_100000210202 [0,1,0,0,0,0|2,0,0]=3 1462 B13R1.4012 CCOc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_100000210202 [0,1,0,0,0,0|2,0,0]=3 1463 B13R1.4012 CCOc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_100000210202 [0,1,0,0,0,0|2,0,0]=3 1464 B13R1.4012 CCOc1c(cccc1[N+](=O)[O-])F 34a_100000690172_100000210202 [0,1,0,0,0,0|2,0,0]=3 1465 B13R1.4012 CCOc1c(ccnc1C)[N+](=O)[O-] 34a_200000144590_100000210202 [0,1,0,0,0,0|3,0,0]=4 1466 B13R1.4012 CCOc1c(ccnc1C)[N+](=O)[O-] 7a_200000144590_100000210202 [0,1,0,0,0,0|3,0,0]=4 1467 B13R1.4012 CCOc1c(ccnc1Cl)[N+](=O)[O-] 34a_100009852515_100000210202 [0,1,0,0,0,0|3,0,0]=4 1468 B13R1.4012 CCOc1c(ccnc1Cl)[N+](=O)[O-] 7a_100009852515_100000210202 [0,1,0,0,0,0|3,0,0]=4 1469 B13R1.4012 CCOc1c(ccnc1[N+](=O)[O-])C 7a_100009875811_100000210202 [0,1,0,0,0,0|3,0,0]=4 1470 B13R1.4012 CCSc1c(cccc1C(=O)C)F 62a_100000210202_100012362612 [0,1,0,0,0,0|1,1,0]=3 1471 B13R1.4012 CCSc1c(cccc1C(=O)C)F 62a_100012362612_100000210202 [0,1,0,0,0,0|1,1,0]=3 1472 B13R1.4012 CCSc1c(cccc1C(=O)N)C 62a_100000210202_200011409216 [0,1,0,0,0,0|0,1,0]=2 1473 B13R1.4012 CCSc1c(cccc1C(=O)N)C 62a_200011409216_100000210202 [0,1,0,0,0,0|0,1,0]=2 1474 B13R1.4012 CCSc1c(cccc1C(=O)N)F 62a_100000210202_200012351544 [0,1,0,0,0,0|0,1,0]=2 1475 B13R1.4012 CCSc1c(cccc1C(=O)N)F 62a_200012351544_100000210202 [0,1,0,0,0,0|0,1,0]=2 1476 B13R1.4012 CNCc1c(cccc1C(=O)C)Br 26a_100102657272_100009815558 [0,1,0,0,0,0|3,0,0]=4 1477 B13R1.4012 Cc1cccc(c1NCF)C(=O)N 34a_100000223273_100015361967 [0,1,0,0,0,0|2,0,0]=3 1478 B13R1.4012 Cc1cccc(c1OCF)[N+](=O)[O-] 34a_100000763257_100015361967 [0,1,0,0,0,0|3,0,0]=4 1479 B13R1.4012 Cc1cccc(c1OCF)[N+](=O)[O-] 7a_100000763257_100015361967 [0,1,0,0,0,0|3,0,0]=4 1480 B13R1.4012 Cc1cccc(c1SCF)C(=O)N 62a_100015361967_200011409216 [0,1,0,0,0,0|1,1,0]=3 1481 B13R1.4012 Cc1cccc(c1SCF)C(=O)N 62a_200011409216_100015361967 [0,1,0,0,0,0|1,1,0]=3 1482 B13R1.4012 NC(=O)c1cccc(c1NCF)Cl 34a_200011997947_100015361967 [0,1,0,0,0,0|2,0,0]=3 1483 B13R1.4012 NC(=O)c1cccc(c1NCF)F 34a_100011722151_100015361967 [0,1,0,0,0,0|2,0,0]=3 1484 B13R1.4012 NC(=O)c1cccc(c1OCF)Cl 34a_100009868166_100015361967 [0,1,0,0,0,0|1,0,0]=2 1485 B13R1.4012 NC(=O)c1cccc(c1OCF)Cl 7a_100009868166_100015361967 [0,1,0,0,0,0|1,0,0]=2 1486 B13R1.4012 NC(=O)c1cccc(c1OCF)F 34a_100009886295_100015361967 [0,1,0,0,0,0|1,0,0]=2 1487 B13R1.4012 NC(=O)c1cccc(c1OCF)F 7a_100009886295_100015361967 [0,1,0,0,0,0|1,0,0]=2 1488 B13R1.4012 NC(=O)c1cccc(c1SCF)F 62a_100015361967_200012351544 [0,1,0,0,0,0|1,1,0]=3 1489 B13R1.4012 NC(=O)c1cccc(c1SCF)F 62a_200012351544_100015361967 [0,1,0,0,0,0|1,1,0]=3 1490 B13R1.4012 O=[N+]([O-])c1cccc(c1OCF)Br 34a_100000689966_100015361967 [0,1,0,0,0,0|3,0,0]=4 1491 B13R1.4012 O=[N+]([O-])c1cccc(c1OCF)Cl 34a_100000686934_100015361967 [0,1,0,0,0,0|3,0,0]=4 1492 B13R1.4012 O=[N+]([O-])c1cccc(c1OCF)Cl 7a_100000686934_100015361967 [0,1,0,0,0,0|3,0,0]=4 1493 B13R1.4012 O=[N+]([O-])c1cccc(c1OCF)F 34a_100000690172_100015361967 [0,1,0,0,0,0|3,0,0]=4 1494 B13R2.268 CCOc1ccccc1C2CC2 271570a_100011220607_100000230754 [0,0,0,1,0,0|2,0,1]=4 1495 B13R2.2931 CCn1nc(c2c1cccc2)O 271570a_203496583355_200010288290 [0,0,0,1,0,0|1,0,2]=4 1496 B13R2.2931 CNC1CC(=O)c2c1cccc2 2230a_106832991635_100010208147 [0,0,0,1,0,0|3,0,0]=4 1497 B13R2.2931 CNC1CC(=O)c2c1cccc2 7a_106832991635_100010208147 [0,0,0,1,0,0|3,0,0]=4 1498 B13R2.2931 CNC1OC(=O)c2c1cccc2 2230a_106832991635_100009813457 [0,0,0,1,0,0|3,0,0]=4 1499 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_100010208147_200000210301 [0,0,0,1,0,0|3,0,0]=4 1500 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_200000210301_100010208147 [0,0,0,1,0,0|3,0,0]=4 1501 B13R2.2931 CSC1OC(=O)c2c1cccc2 62a_200000210301_100009813457 [0,0,0,1,0,0|3,0,0]=4 1502 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_100010208147_200025704644 [0,0,0,1,0,0|3,0,0]=4 1503 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_200025704644_100010208147 [0,0,0,1,0,0|3,0,0]=4 1504 B13R2.2931 [13CH3]SC1OC(=O)c2c1cccc2 62a_200025704644_100009813457 [0,0,0,1,0,0|3,0,0]=4 1505 B13R2.5514 C=C(C)c1ccccc1C2CC2 271570a_100000694244_100009819954 [0,0,0,1,0,0|3,0,0]=4 1506 B13R2.5514 CC(=O)c1ccccc1C2CC2 1458a_100011688854_200000210301 [0,0,0,1,0,0|2,0,0]=3 1507 B13R2.5514 CC(=O)c1ccccc1C2CC2 271570a_100011220607_100000751169 [0,0,0,1,0,0|2,0,0]=3 1508 B13R2.5514 CC(=O)c1cccnc1C2CC2 271570a_100011220607_100000753718 [0,0,0,1,0,0|3,0,0]=4 1509 B13R2.5514 CC(=O)c1ccncc1C2CC2 271570a_100011220607_100009993184 [0,0,0,1,0,0|3,0,0]=4 1510 B13R2.5514 CC(=O)c1cnccc1C2CC2 271570a_100011220607_100160469449 [0,0,0,1,0,0|3,0,0]=4 1511 B13R2.5514 CC(=O)c1ncccc1C2CC2 271570a_100011220607_100012348690 [0,0,0,1,0,0|3,0,0]=4 1512 B13R2.5514 CC(N)c1ccccc1C2CC2 271570a_100011220607_100000181357 [0,0,0,1,0,0|2,0,1]=4 1513 B13R2.5514 CS(=O)c1ccccc1C2CC2 271570a_100011220607_100000734199 [0,0,0,1,0,0|3,0,0]=4 1514 B13R2.5514 NC(=O)c1ccccc1C2CC2 271570a_100011220607_100000162227 [0,0,0,1,0,0|1,0,0]=2 1515 B13R2.5514 NC(=O)c1cccnc1C2CC2 271570a_100011220607_100000162199 [0,0,0,1,0,0|2,0,0]=3 1516 B13R2.5514 NC(=O)c1ccncc1C2CC2 271570a_100011220607_100010205435 [0,0,0,1,0,0|2,0,0]=3 1517 B13R2.5514 NC(=O)c1cnccc1C2CC2 271570a_100011220607_100000697804 [0,0,0,1,0,0|2,0,0]=3 1518 B13R2.5514 NC(=O)c1ncccc1C2CC2 271570a_100011220607_200012359670 [0,0,0,1,0,0|2,0,0]=3 1519 B13R2.5514 NC(=O)c1nccnc1C2CC2 271570a_100011220607_100000094861 [0,0,0,1,0,0|3,0,0]=4 1520 B13R2.5514 [13CH3]C(=O)c1ccccc1C2CC2 1458a_100011688854_200025704644 [0,0,0,1,0,0|2,0,0]=3 1521 B13R2.5569 C=C(C)c1cccc2c1CCC2 271570a_100000694244_100010343934 [0,0,0,1,0,0|3,0,0]=4 1522 B13R2.5569 C=C(C)c1cccc2c1NCC2 271570a_100000694244_100016995435 [0,0,0,1,0,0|3,0,0]=4 1523 B13R2.5569 C=C(C)c1cccc2c1OCC2 271570a_100000694244_100009818991 [0,0,0,1,0,0|2,0,0]=3 1524 B13R2.5569 C=C(C)c1cccc2c1OCO2 271570a_100000694244_100009814252 [0,0,0,1,0,0|3,0,0]=4 1525 B13R2.5569 CC(=O)c1cccc2c1CCC2 1458a_100000051556_200000210301 [0,0,0,1,0,0|2,0,0]=3 1526 B13R2.5569 CC(=O)c1cccc2c1OCC2 1458a_100011216994_200000210301 [0,0,0,1,0,0|1,0,0]=2 1527 B13R2.5569 CC(=O)c1cccc2c1OCO2 1458a_100000048783_200000210301 [0,0,0,1,0,0|2,0,0]=3 1528 B13R2.5569 CC(=O)c1cccc2c1occ2 1458a_100000098497_200000210301 [0,0,0,1,0,0|1,0,2]=4 1529 B13R2.5569 CC(=O)c1cccc2c1ocn2 1458a_100012186845_200000210301 [0,0,0,1,0,0|2,0,1]=4 1530 B13R2.5569 [13CH3]C(=O)c1cccc2c1CCC2 1458a_100000051556_200025704644 [0,0,0,1,0,0|2,0,0]=3 1531 B13R2.5569 [13CH3]C(=O)c1cccc2c1OCC2 1458a_100011216994_200025704644 [0,0,0,1,0,0|1,0,0]=2 1532 B13R2.5569 [13CH3]C(=O)c1cccc2c1OCO2 1458a_100000048783_200025704644 [0,0,0,1,0,0|2,0,0]=3 1533 B13R2.5569 [13CH3]C(=O)c1cccc2c1occ2 1458a_100000098497_200025704644 [0,0,0,1,0,0|1,0,2]=4 1534 B13R2.5569 [13CH3]C(=O)c1cccc2c1ocn2 1458a_100012186845_200025704644 [0,0,0,1,0,0|2,0,1]=4 1535 B11R1.193 CC=Cc1cscc1C(=O)N 271570a_100016259895_100009817205 [0,0,0,0,1,0|2,0,1]=4 1536 B11R1.193 CCSc1ccsc1C(=O)C 62a_100000738688_100000210202 [0,0,0,0,1,0|2,1,0]=4 1537 B11R1.193 CCSc1cn[nH]c1C(=O)N 62a_100000210202_200009820792 [0,0,0,0,1,0|2,1,0]=4 1538 B11R1.193 CCSc1cn[nH]c1C(=O)N 62a_200009820792_100000210202 [0,0,0,0,1,0|2,1,0]=4 1539 B11R1.193 CCSc1cscc1C(=O)N 62a_100000210202_100009817205 [0,0,0,0,1,0|1,1,0]=3 1540 B11R1.193 CCSc1cscc1C(=O)N 62a_100009817205_100000210202 [0,0,0,0,1,0|1,1,0]=3 1541 B11R1.193 NC(=O)c1cscc1SCF 62a_100009817205_100015361967 [0,0,0,0,1,0|2,1,0]=4 1542 B11R1.193 NC(=O)c1cscc1SCF 62a_100015361967_100009817205 [0,0,0,0,1,0|2,1,0]=4 1543 B13R1.380 C=C=Cc1ccccc1CC(=O)N 271570a_100015277604_200009814924 [0,0,0,0,0,1|1,0,2]=4 1544 B13R1.380 C=C=Cc1ccccc1NC(=O)N 271570a_100015277604_100000742221 [0,0,0,0,0,1|1,0,2]=4 1545 B13R1.380 CC(=O)Cc1ccccc1SCF 62a_100011350739_100015361967 [0,0,0,0,0,1|2,1,0]=4 1546 B13R1.380 CC(=O)Cc1ccccc1SCF 62a_100015361967_100011350739 [0,0,0,0,0,1|2,1,0]=4 1547 B13R1.380 CC(=O)Nc1ccccc1CCO 22a_100011215289_100000070787 [0,0,0,0,0,1|3,0,0]=4 1548 B13R1.380 CC(=O)Nc1ccccc1CCO 527a_100011215289_100103153847 [0,0,0,0,0,1|3,0,0]=4 1549 B13R1.380 CC(=O)Nc1ccccc1CO[13CH3] 34a_100000192217_200025704644 [0,0,0,0,0,1|3,0,0]=4 1550 B13R1.380 CC(=O)Nc1ccccc1CO[13CH3] 7a_100000192217_200025704644 [0,0,0,0,0,1|3,0,0]=4 1551 B13R1.380 CC(=O)Nc1ccccc1NCF 34a_100011193560_100015361967 [0,0,0,0,0,1|3,0,0]=4 1552 B13R1.380 CC(=O)Nc1ccccc1OCF 34a_100000185124_100015361967 [0,0,0,0,0,1|2,0,0]=3 1553 B13R1.380 CC(=O)Nc1ccccc1OCF 7a_100000185124_100015361967 [0,0,0,0,0,1|2,0,0]=3 1554 B13R1.380 CC(=O)Nc1ccccc1SCF 62a_100015361967_100000153524 [0,0,0,0,0,1|2,1,0]=4 1555 B13R1.380 CC(=O)Nc1ncccc1OCF 34a_200000022013_100015361967 [0,0,0,0,0,1|3,0,0]=4 1556 B13R1.380 CC(=O)Nc1ncccc1OCF 7a_200000022013_100015361967 [0,0,0,0,0,1|3,0,0]=4 1557 B13R1.380 CC(=O)Oc1ccccc1SCF 62a_100000051690_100015361967 [0,0,0,0,0,1|2,1,0]=4 1558 B13R1.380 CC(=O)Oc1ccccc1SCF 62a_100015361967_100000051690 [0,0,0,0,0,1|2,1,0]=4 1559 B13R1.380 CC=Cc1ccccc1CC(=O)C 271570a_100016259895_100011350739 [0,0,0,0,0,1|2,0,1]=4 1560 B13R1.380 CC=Cc1ccccc1CC(=O)N 271570a_100016259895_200009814924 [0,0,0,0,0,1|1,0,1]=3 1561 B13R1.380 CC=Cc1ccccc1NC(=O)C 271570a_100016259895_100000153524 [0,0,0,0,0,1|2,0,1]=4 1562 B13R1.380 CC=Cc1ccccc1NC(=O)N 271570a_100016259895_100000742221 [0,0,0,0,0,1|1,0,1]=3 1563 B13R1.380 CC=Cc1ccccc1OC(=O)C 271570a_100016259895_100000051690 [0,0,0,0,0,1|2,0,1]=4 1564 B13R1.380 CCCc1ccccc1NC(=O)C 11a_100000737634_100015343762 [0,0,0,0,0,1|2,0,0]=3 1565 B13R1.380 CCCc1ccccc1NC(=O)C 1626a_100000737634_100015343762 [0,0,0,0,0,1|2,0,0]=3 1566 B13R1.380 CCCc1ccccc1NC(=O)C 22a_100000737634_100000070787 [0,0,0,0,0,1|2,0,0]=3 1567 B13R1.380 CCCc1ccccc1NC(=O)C 527a_100000737634_100103153847 [0,0,0,0,0,1|2,0,0]=3 1568 B13R1.380 CCNc1ccccc1C=C(C)C 271570a_100102525489_114873767003 [0,0,0,0,0,1|3,0,0]=4 1569 B13R1.380 CCNc1ccccc1NC(=O)C 34a_100011193560_100000210202 [0,0,0,0,0,1|2,0,0]=3 1570 B13R1.380 CCOc1ccccc1C=C(C)C 271570a_100102525489_100000230754 [0,0,0,0,0,1|2,0,0]=3 1571 B13R1.380 CCOc1ccccc1CC(=O)C 1458a_100011247627_200000210301 [0,0,0,0,0,1|1,0,0]=2 1572 B13R1.380 CCOc1ccccc1CC(=O)[13CH3] 1458a_100011247627_200025704644 [0,0,0,0,0,1|1,0,0]=2 1573 B13R1.380 CCOc1ccccc1CN(C)C 2230a_100000742257_200000210301 [0,0,0,0,0,1|3,0,0]=4 1574 B13R1.380 CCOc1ccccc1CN(C)C 269982a_100000742257_200000210301 [0,0,0,0,0,1|3,0,0]=4 1575 B13R1.380 CCOc1ccccc1CN(C)C 270004a_100102631434_100000169843 [0,0,0,0,0,1|3,0,0]=4 1576 B13R1.380 CCOc1ccccc1CN(C)[13CH3] 2230a_100000742257_200025704644 [0,0,0,0,0,1|3,0,0]=4 1577 B13R1.380 CCOc1ccccc1CN(C)[13CH3] 269982a_100000742257_200025704644 [0,0,0,0,0,1|3,0,0]=4 1578 B13R1.380 CCOc1ccccc1NC(=O)C 11a_100000211218_100015343762 [0,0,0,0,0,1|1,0,0]=2 1579 B13R1.380 CCOc1ccccc1NC(=O)C 1626a_100000211218_100015343762 [0,0,0,0,0,1|1,0,0]=2 1580 B13R1.380 CCOc1ccccc1NC(=O)C 22a_100000211218_100000070787 [0,0,0,0,0,1|1,0,0]=2 1581 B13R1.380 CCOc1ccccc1NC(=O)C 34a_100000185124_100000210202 [0,0,0,0,0,1|1,0,0]=2 1582 B13R1.380 CCOc1ccccc1NC(=O)C 7a_100000185124_100000210202 [0,0,0,0,0,1|1,0,0]=2 1583 B13R1.380 CCOc1ccccc1NC(=S)N 7a_200000011649_100000210202 [0,0,0,0,0,1|0,1,0]=2 1584 B13R1.380 CCOc1ccccc1NC(C)C 34a_100000211218_100000210206 [0,0,0,0,0,1|2,0,1]=4 1585 B13R1.380 CCOc1ccccc1OC(C)C 34a_100000211404_100000210206 [0,0,0,0,0,1|2,0,1]=4 1586 B13R1.380 CCOc1ccccc1OC(C)C 34a_100011218612_100000210202 [0,0,0,0,0,1|2,0,1]=4 1587 B13R1.380 CCOc1ccccc1OC(C)C 7a_100000211404_100000210206 [0,0,0,0,0,1|2,0,1]=4 1588 B13R1.380 CCOc1ccccc1OC(C)C 7a_100011218612_100000210202 [0,0,0,0,0,1|2,0,1]=4 1589 B13R1.380 CCOc1ccccc1OC(F)F 34a_100000752575_100000210202 [0,0,0,0,0,1|2,0,1]=4 1590 B13R1.380 CCOc1ccccc1OC(F)F 7a_100000752575_100000210202 [0,0,0,0,0,1|2,0,1]=4 1591 B13R1.380 CCOc1ccccc1SC(C)C 62a_100000210206_100000230754 [0,0,0,0,0,1|2,0,1]=4 1592 B13R1.380 CCOc1ccccc1SC(C)C 62a_100000230754_100000210206 [0,0,0,0,0,1|2,0,1]=4 1593 B13R1.380 CCOc1cccnc1C=C(C)C 271570a_100102525489_100011597540 [0,0,0,0,0,1|3,0,0]=4 1594 B13R1.380 CCOc1cccnc1NC(=O)C 34a_200000022013_100000210202 [0,0,0,0,0,1|2,0,0]=3 1595 B13R1.380 CCOc1cccnc1NC(=O)C 7a_200000022013_100000210202 [0,0,0,0,0,1|2,0,0]=3 1596 B13R1.380 CCOc1ncccc1C=C(C)C 271570a_100102525489_100011465154 [0,0,0,0,0,1|3,0,0]=4 1597 B13R1.380 CCSc1ccccc1C=C(C)C 271570a_100102525489_100000230856 [0,0,0,0,0,1|2,1,0]=4 1598 B13R1.380 CCSc1ccccc1CC(=O)C 62a_100000210202_100011350739 [0,0,0,0,0,1|1,1,0]=3 1599 B13R1.380 CCSc1ccccc1CC(=O)C 62a_100011350739_100000210202 [0,0,0,0,0,1|1,1,0]=3 1600 B13R1.380 CCSc1ccccc1CC(=O)N 62a_100000210202_200009814924 [0,0,0,0,0,1|0,1,0]=2 1601 B13R1.380 CCSc1ccccc1CC(=O)N 62a_200009814924_100000210202 [0,0,0,0,0,1|0,1,0]=2 1602 B13R1.380 CCSc1ccccc1NC(=O)C 11a_100011223125_100015343762 [0,0,0,0,0,1|1,1,0]=3 1603 B13R1.380 CCSc1ccccc1NC(=O)C 1626a_100011223125_100015343762 [0,0,0,0,0,1|1,1,0]=3 1604 B13R1.380 CCSc1ccccc1NC(=O)C 22a_100011223125_100000070787 [0,0,0,0,0,1|1,1,0]=3 1605 B13R1.380 CCSc1ccccc1NC(=O)C 62a_100000210202_100000153524 [0,0,0,0,0,1|1,1,0]=3 1606 B13R1.380 CCSc1ccccc1NC(=O)N 62a_100000210202_100000742221 [0,0,0,0,0,1|0,1,0]=2 1607 B13R1.380 CCSc1ccccc1OC(=O)C 62a_100000051690_100000210202 [0,0,0,0,0,1|1,1,0]=3 1608 B13R1.380 CCSc1ccccc1OC(=O)C 62a_100000210202_100000051690 [0,0,0,0,0,1|1,1,0]=3 1609 B13R1.380 CCSc1cnccc1NC(=O)C 62a_100000210202_100016132053 [0,0,0,0,0,1|2,1,0]=4 1610 B13R1.380 CCSc1ncccc1OC(=O)C 62a_100000210202_200009815371 [0,0,0,0,0,1|2,1,0]=4 1611 B13R1.380 CCSc1ncccc1OC(=O)C 62a_200009815371_100000210202 [0,0,0,0,0,1|2,1,0]=4 1612 B13R1.380 CNCc1ccccc1CC(=O)O 269956a_100000688124_200000210301 [0,0,0,0,0,1|3,0,0]=4 1613 B13R1.380 CNCc1ccccc1OC(=O)C 270004a_106832991635_100009864558 [0,0,0,0,0,1|3,0,0]=4 1614 B13R1.380 COCc1ccccc1NC(=O)C 34a_100000192217_200000210301 [0,0,0,0,0,1|3,0,0]=4 1615 B13R1.380 COCc1ccccc1NC(=O)C 7a_100000192217_200000210301 [0,0,0,0,0,1|3,0,0]=4 1616 B13R1.380 NC(=O)Cc1ccccc1SCF 62a_100015361967_200009814924 [0,0,0,0,0,1|1,1,0]=3 1617 B13R1.380 NC(=O)Cc1ccccc1SCF 62a_200009814924_100015361967 [0,0,0,0,0,1|1,1,0]=3 1618 B13R1.380 NC(=O)Nc1ccccc1SCF 62a_100015361967_100000742221 [0,0,0,0,0,1|1,1,0]=3 1619 B13R1.380 NC(=S)Nc1ccccc1OCF 7a_200000011649_100015361967 [0,0,0,0,0,1|1,1,0]=3 1620 B13R1.380 [13CH3]NCc1ccccc1CC(=O)O 269956a_100000688124_200025704644 [0,0,0,0,0,1|3,0,0]=4 1621 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [2,0,0,0,0,0|1,0,1]=4 1622 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [2,0,0,0,0,0|2,0,0]=4 1623 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [2,0,0,0,0,0|1,0,1]=4 1624 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [2,0,0,0,0,0|2,0,0]=4 1625 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [2,0,0,0,0,0|2,0,0]=4 1626 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [2,0,0,0,0,0|2,0,0]=4 1627 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [2,0,0,0,0,0|1,0,1]=4 1628 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [2,0,0,0,0,0|1,0,1]=4 1629 B10R1.4 CCOc1cccc[n+]1[O-] 7a_100000211761_100000210202 [2,0,0,0,0,0|1,0,1]=4 1630 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [2,0,0,0,0,0|1,0,0]=3 1631 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [2,0,0,0,0,0|1,0,0]=3 1632 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [2,0,0,0,0,0|0,0,1]=3 1633 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [2,0,0,0,0,0|0,0,1]=3 1634 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [2,0,0,0,0,0|1,0,0]=3 1635 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [2,0,0,0,0,0|1,0,0]=3 1636 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [2,0,0,0,0,0|1,0,0]=3 1637 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [2,0,0,0,0,0|1,0,0]=3 1638 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [2,0,0,0,0,0|1,0,0]=3 1639 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [2,0,0,0,0,0|1,0,0]=3 1640 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [2,0,0,0,0,0|0,0,0]=2 1641 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [2,0,0,0,0,0|0,0,0]=2 1642 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [2,0,0,0,0,0|0,0,1]=3 1643 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [2,0,0,0,0,0|2,0,0]=4 1644 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [2,0,0,0,0,0|2,0,0]=4 1645 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [2,0,0,0,0,0|1,0,1]=4 1646 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [2,0,0,0,0,0|1,0,1]=4 1647 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [2,0,0,0,0,0|2,0,0]=4 1648 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [2,0,0,0,0,0|2,0,0]=4 1649 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [2,0,0,0,0,0|2,0,0]=4 1650 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [2,0,0,0,0,0|2,0,0]=4 1651 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [2,0,0,0,0,0|2,0,0]=4 1652 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [2,0,0,0,0,0|2,0,0]=4 1653 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [2,0,0,0,0,0|1,0,0]=3 1654 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [2,0,0,0,0,0|1,0,0]=3 1655 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [2,0,0,0,0,0|1,0,1]=4 1656 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [2,0,0,0,0,0|1,0,0]=3 1657 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [2,0,0,0,0,0|1,0,0]=3 1658 B10R1.4 CCOc1ccncc1Br 34a_100011996408_100000210202 [2,0,0,0,0,0|2,0,0]=4 1659 B10R1.4 CCOc1ccncc1C 34a_100000694293_100000210202 [2,0,0,0,0,0|1,0,1]=4 1660 B10R1.4 CCOc1ccncc1Cl 34a_100011997054_100000210202 [2,0,0,0,0,0|2,0,0]=4 1661 B10R1.4 CCOc1ccncc1F 34a_200000081243_100000210202 [2,0,0,0,0,0|2,0,0]=4 1662 B10R1.4 CCOc1cnccc1C 34a_100011997053_100000210202 [2,0,0,0,0,0|1,0,1]=4 1663 B10R1.4 CCOc1cnccc1C 7a_100011997053_100000210202 [2,0,0,0,0,0|1,0,1]=4 1664 B10R1.4 CCOc1cnccc1Cl 34a_100011996695_100000210202 [2,0,0,0,0,0|2,0,0]=4 1665 B10R1.4 CCOc1cnccc1I 34a_100000050107_100000210202 [2,0,0,0,0,0|2,0,0]=4 1666 B10R1.4 CCOc1cnccc1N 34a_100000753702_100000210202 [2,0,0,0,0,0|1,0,0]=3 1667 B10R1.4 CCOc1cncnc1N 7a_100000112926_100000210202 [2,0,0,0,0,0|2,0,0]=4 1668 B10R1.4 CCOc1coccc1=O 34a_100000060831_100000210202 [2,0,0,0,0,0|1,0,0]=3 1669 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [2,0,0,0,0,0|2,0,0]=4 1670 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [2,0,0,0,0,0|2,0,0]=4 1671 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [2,0,0,0,0,0|1,0,0]=3 1672 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [2,0,0,0,0,0|1,0,1]=4 1673 B10R1.4 CCSc1c[nH]ccc1=O 62a_100000210202_100009998708 [2,0,0,0,0,0|1,1,0]=4 1674 B10R1.4 CCSc1c[nH]ccc1=O 62a_100009998708_100000210202 [2,0,0,0,0,0|1,1,0]=4 1675 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [2,0,0,0,0,0|1,1,0]=4 1676 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [2,0,0,0,0,0|1,1,0]=4 1677 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [2,0,0,0,0,0|0,1,1]=4 1678 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [2,0,0,0,0,0|0,1,1]=4 1679 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [2,0,0,0,0,0|1,1,0]=4 1680 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [2,0,0,0,0,0|1,1,0]=4 1681 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [2,0,0,0,0,0|1,1,0]=4 1682 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [2,0,0,0,0,0|1,1,0]=4 1683 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [2,0,0,0,0,0|0,1,0]=3 1684 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [2,0,0,0,0,0|0,1,0]=3 1685 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [2,0,0,0,0,0|0,1,1]=4 1686 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [2,0,0,0,0,0|0,1,1]=4 1687 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [2,0,0,0,0,0|0,1,1]=4 1688 B10R1.4 CCSc1cccnc1N 62a_100000045569_100000210202 [2,0,0,0,0,0|1,1,0]=4 1689 B10R1.4 CCSc1cccnc1N 62a_100000210202_100000045569 [2,0,0,0,0,0|1,1,0]=4 1690 B10R1.4 CCSc1ccncc1N 62a_100000210202_100000756074 [2,0,0,0,0,0|1,1,0]=4 1691 B10R1.4 CCSc1ccncc1N 62a_100000756074_100000210202 [2,0,0,0,0,0|1,1,0]=4 1692 B10R1.4 CCSc1cnccc1N 62a_100000047001_100000210202 [2,0,0,0,0,0|1,1,0]=4 1693 B10R1.4 CCSc1cnccc1N 62a_100000210202_100000047001 [2,0,0,0,0,0|1,1,0]=4 1694 B10R1.4 CCSc1ncccc1N 62a_100000210202_100000688686 [2,0,0,0,0,0|1,1,0]=4 1695 B10R1.4 CCSc1ncccc1N 62a_100000688686_100000210202 [2,0,0,0,0,0|1,1,0]=4 1696 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [2,0,0,0,0,0|2,0,0]=4 1697 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [2,0,0,0,0,0|1,0,1]=4 1698 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [2,0,0,0,0,0|1,0,1]=4 1699 B10R1.4 FCOc1ccccc1Br 34a_100000181306_100015361967 [2,0,0,0,0,0|2,0,0]=4 1700 B10R1.4 FCOc1ccccc1Br 7a_100000181306_100015361967 [2,0,0,0,0,0|2,0,0]=4 1701 B10R1.4 FCOc1ccccc1Cl 34a_100000210172_100015361967 [2,0,0,0,0,0|2,0,0]=4 1702 B10R1.4 FCOc1ccccc1Cl 7a_100000210172_100015361967 [2,0,0,0,0,0|2,0,0]=4 1703 B10R1.4 FCOc1ccccc1F 34a_100000210171_100015361967 [2,0,0,0,0,0|2,0,0]=4 1704 B10R1.4 FCOc1ccccc1F 7a_100000210171_100015361967 [2,0,0,0,0,0|2,0,0]=4 1705 B10R1.4 FCOc1ccccc1I 34a_100000739446_100015361967 [2,0,0,0,0,0|2,0,0]=4 1706 B10R1.4 FCOc1ccccc1I 7a_100000739446_100015361967 [2,0,0,0,0,0|2,0,0]=4 1707 B10R1.4 Nc1ccccc1OCF 34a_100000185747_100015361967 [2,0,0,0,0,0|1,0,0]=3 1708 B10R1.4 Nc1ccccc1OCF 7a_100000185747_100015361967 [2,0,0,0,0,0|1,0,0]=3 1709 B10R1.4 Nc1ccccc1SCF 62a_100000210017_100015361967 [2,0,0,0,0,0|1,1,0]=4 1710 B10R1.4 Nc1ccccc1SCF 62a_100015361967_100000210017 [2,0,0,0,0,0|1,1,0]=4 1711 B10R1.4 Nc1cccnc1OCF 34a_100000746358_100015361967 [2,0,0,0,0,0|2,0,0]=4 1712 B10R1.4 Nc1ccncc1OCF 34a_100000753702_100015361967 [2,0,0,0,0,0|2,0,0]=4 1713 B10R1.4 Nc1ncccc1OCF 34a_100000211975_100015361967 [2,0,0,0,0,0|2,0,0]=4 1714 B10R1.4 Nc1ncccc1OCF 7a_100000211975_100015361967 [2,0,0,0,0,0|2,0,0]=4 1715 B10R1.4 O=c1ccocc1OCF 34a_100000060831_100015361967 [2,0,0,0,0,0|2,0,0]=4 1716 B10R1.4 O=c1occcc1OCF 34a_100000077404_100015361967 [2,0,0,0,0,0|2,0,0]=4 1717 B10R1.4 O=c1occcc1OCF 7a_100000077404_100015361967 [2,0,0,0,0,0|2,0,0]=4 1718 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [2,0,0,0,0,0|2,0,0]=4 1719 B10R1.20 C#Cc1ccccc1OC 34a_200011470546_200000210301 [2,0,0,0,0,0|1,0,1]=4 1720 B10R1.20 C#Cc1ccccc1OC 7a_200011470546_200000210301 [2,0,0,0,0,0|1,0,1]=4 1721 B10R1.20 C#Cc1ccccc1O[13CH3] 34a_200011470546_200025704644 [2,0,0,0,0,0|1,0,1]=4 1722 B10R1.20 C#Cc1ccccc1O[13CH3] 7a_200011470546_200025704644 [2,0,0,0,0,0|1,0,1]=4 1723 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [2,0,0,0,0,0|0,0,2]=4 1724 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [2,0,0,0,0,0|1,0,0]=3 1725 B10R1.20 C=Cc1ccccc1CN 271570a_100011290941_100000689332 [2,0,0,0,0,0|2,0,0]=4 1726 B10R1.20 C=Cc1ccccc1CO 271570a_100011290941_100000187465 [2,0,0,0,0,0|2,0,0]=4 1727 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [2,0,0,0,0,0|2,0,0]=4 1728 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [2,0,0,0,0,0|2,0,0]=4 1729 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [2,0,0,0,0,0|2,0,0]=4 1730 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [2,0,0,0,0,0|1,0,0]=3 1731 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [2,0,0,0,0,0|1,1,0]=4 1732 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [2,0,0,0,0,0|1,1,0]=4 1733 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [2,0,0,0,0,0|1,1,0]=4 1734 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [2,0,0,0,0,0|1,1,0]=4 1735 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [2,0,0,0,0,0|1,1,0]=4 1736 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [2,0,0,0,0,0|2,0,0]=4 1737 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [2,0,0,0,0,0|2,0,0]=4 1738 B10R1.20 C=Cc1ccncc1CC 271570a_100011290941_100025704421 [2,0,0,0,0,0|2,0,0]=4 1739 B10R1.20 C=Cc1ccncc1OC 271570a_100011290941_100016988167 [2,0,0,0,0,0|2,0,0]=4 1740 B10R1.20 C=Cc1cnccc1CC 271570a_100011290941_100009819861 [2,0,0,0,0,0|2,0,0]=4 1741 B10R1.20 C=Cc1cnccc1OC 271570a_100011290941_100011997281 [2,0,0,0,0,0|2,0,0]=4 1742 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [2,0,0,0,0,0|2,0,0]=4 1743 B10R1.20 CCc1ccccc1NC 2230a_100000212081_200000210301 [2,0,0,0,0,0|2,0,0]=4 1744 B10R1.20 CCc1ccccc1NC 34a_100000212081_200000210301 [2,0,0,0,0,0|2,0,0]=4 1745 B10R1.20 CCc1ccccc1NC 7a_100000212081_200000210301 [2,0,0,0,0,0|2,0,0]=4 1746 B10R1.20 CCc1ccccc1N[13CH3] 2230a_100000212081_200025704644 [2,0,0,0,0,0|2,0,0]=4 1747 B10R1.20 CCc1ccccc1N[13CH3] 34a_100000212081_200025704644 [2,0,0,0,0,0|2,0,0]=4 1748 B10R1.20 CCc1ccccc1N[13CH3] 7a_100000212081_200025704644 [2,0,0,0,0,0|2,0,0]=4 1749 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [2,0,0,0,0,0|1,0,1]=4 1750 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [2,0,0,0,0,0|1,0,1]=4 1751 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [2,0,0,0,0,0|1,0,1]=4 1752 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [2,0,0,0,0,0|1,0,1]=4 1753 B10R1.20 CCc1ccccc1SC 62a_100011215823_200000210301 [2,0,0,0,0,0|2,0,0]=4 1754 B10R1.20 CCc1ccccc1SC 62a_200000210301_100011215823 [2,0,0,0,0,0|2,0,0]=4 1755 B10R1.20 CCc1ccccc1S[13CH3] 62a_100011215823_200025704644 [2,0,0,0,0,0|2,0,0]=4 1756 B10R1.20 CCc1ccccc1S[13CH3] 62a_200025704644_100011215823 [2,0,0,0,0,0|2,0,0]=4 1757 B10R1.20 CNc1ccccc1OC 34a_100000033821_200000210301 [2,0,0,0,0,0|2,0,0]=4 1758 B10R1.20 CNc1ccccc1OC 34a_100000210025_200000210301 [2,0,0,0,0,0|2,0,0]=4 1759 B10R1.20 CNc1ccccc1O[13CH3] 34a_100000033821_200025704644 [2,0,0,0,0,0|2,0,0]=4 1760 B10R1.20 COc1ccccc1C#N 34a_100000211048_200000210301 [2,0,0,0,0,0|0,0,2]=4 1761 B10R1.20 COc1ccccc1C#N 7a_100000211048_200000210301 [2,0,0,0,0,0|0,0,2]=4 1762 B10R1.20 COc1ccccc1CN 34a_100000185550_200000210301 [2,0,0,0,0,0|0,0,1]=3 1763 B10R1.20 COc1ccccc1CO 34a_100011216872_200000210301 [2,0,0,0,0,0|0,0,2]=4 1764 B10R1.20 COc1ccccc1N[13CH3] 34a_100000210025_200025704644 [2,0,0,0,0,0|2,0,0]=4 1765 B10R1.20 COc1ccccc1OC 34a_100000210385_200000210301 [2,0,0,0,0,0|2,0,0]=4 1766 B10R1.20 COc1ccccc1O[13CH3] 34a_100000210385_200025704644 [2,0,0,0,0,0|2,0,0]=4 1767 B10R1.20 COc1ccccc1SC 34a_100011216402_200000210301 [2,0,0,0,0,0|2,0,0]=4 1768 B10R1.20 COc1ccccc1SC 62a_100000210334_200000210301 [2,0,0,0,0,0|2,0,0]=4 1769 B10R1.20 COc1ccccc1SC 62a_200000210301_100000210334 [2,0,0,0,0,0|2,0,0]=4 1770 B10R1.20 COc1ccccc1S[13CH3] 62a_100000210334_200025704644 [2,0,0,0,0,0|2,0,0]=4 1771 B10R1.20 COc1ccccc1S[13CH3] 62a_200025704644_100000210334 [2,0,0,0,0,0|2,0,0]=4 1772 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [2,0,0,0,0,0|0,1,0]=3 1773 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [2,0,0,0,0,0|0,1,0]=3 1774 B10R1.20 CSc1ccccc1CN 62a_100000689332_200000210301 [2,0,0,0,0,0|0,1,1]=4 1775 B10R1.20 CSc1ccccc1CN 62a_200000210301_100000689332 [2,0,0,0,0,0|0,1,1]=4 1776 B10R1.20 CSc1ccccc1NN 62a_100000241748_200000210301 [2,0,0,0,0,0|1,1,0]=4 1777 B10R1.20 CSc1ccccc1NN 62a_200000210301_100000241748 [2,0,0,0,0,0|1,1,0]=4 1778 B10R1.20 CSc1ccccc1O[13CH3] 34a_100011216402_200025704644 [2,0,0,0,0,0|2,0,0]=4 1779 B10R1.20 CSc1cccnc1C=O 62a_100011934733_200000210301 [2,0,0,0,0,0|1,1,0]=4 1780 B10R1.20 CSc1cccnc1C=O 62a_200000210301_100011934733 [2,0,0,0,0,0|1,1,0]=4 1781 B10R1.20 CSc1ccncc1C=O 62a_100000050567_200000210301 [2,0,0,0,0,0|1,1,0]=4 1782 B10R1.20 CSc1ccncc1C=O 62a_200000210301_100000050567 [2,0,0,0,0,0|1,1,0]=4 1783 B10R1.20 CSc1cnccc1C=O 62a_100011934409_200000210301 [2,0,0,0,0,0|1,1,0]=4 1784 B10R1.20 CSc1cnccc1C=O 62a_200000210301_100011934409 [2,0,0,0,0,0|1,1,0]=4 1785 B10R1.20 CSc1ncccc1C=O 62a_100009816751_200000210301 [2,0,0,0,0,0|1,1,0]=4 1786 B10R1.20 CSc1ncccc1C=O 62a_200000210301_100009816751 [2,0,0,0,0,0|1,1,0]=4 1787 B10R1.20 [13CH3]Oc1ccccc1C#N 34a_100000211048_200025704644 [2,0,0,0,0,0|0,0,2]=4 1788 B10R1.20 [13CH3]Oc1ccccc1C#N 7a_100000211048_200025704644 [2,0,0,0,0,0|0,0,2]=4 1789 B10R1.20 [13CH3]Oc1ccccc1CN 34a_100000185550_200025704644 [2,0,0,0,0,0|0,0,1]=3 1790 B10R1.20 [13CH3]Oc1ccccc1CO 34a_100011216872_200025704644 [2,0,0,0,0,0|0,0,2]=4 1791 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [2,0,0,0,0,0|0,1,0]=3 1792 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [2,0,0,0,0,0|0,1,0]=3 1793 B10R1.20 [13CH3]Sc1ccccc1CN 62a_100000689332_200025704644 [2,0,0,0,0,0|0,1,1]=4 1794 B10R1.20 [13CH3]Sc1ccccc1CN 62a_200025704644_100000689332 [2,0,0,0,0,0|0,1,1]=4 1795 B10R1.20 [13CH3]Sc1ccccc1NN 62a_100000241748_200025704644 [2,0,0,0,0,0|1,1,0]=4 1796 B10R1.20 [13CH3]Sc1ccccc1NN 62a_200025704644_100000241748 [2,0,0,0,0,0|1,1,0]=4 1797 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_100011934733_200025704644 [2,0,0,0,0,0|1,1,0]=4 1798 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_200025704644_100011934733 [2,0,0,0,0,0|1,1,0]=4 1799 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_100000050567_200025704644 [2,0,0,0,0,0|1,1,0]=4 1800 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_200025704644_100000050567 [2,0,0,0,0,0|1,1,0]=4 1801 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_100011934409_200025704644 [2,0,0,0,0,0|1,1,0]=4 1802 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_200025704644_100011934409 [2,0,0,0,0,0|1,1,0]=4 1803 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_100009816751_200025704644 [2,0,0,0,0,0|1,1,0]=4 1804 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_200025704644_100009816751 [2,0,0,0,0,0|1,1,0]=4 1805 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [2,0,0,0,0,0|2,0,0]=4 1806 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [2,0,0,0,0,0|2,0,0]=4 1807 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [2,0,0,0,0,0|2,0,0]=4 1808 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [2,0,0,0,0,0|1,0,0]=3 1809 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [2,0,0,0,0,0|2,0,0]=4 1810 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [2,0,0,0,0,0|2,0,0]=4 1811 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [2,0,0,0,0,0|2,0,0]=4 1812 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [2,0,0,0,0,0|1,0,0]=3 1813 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [2,0,0,0,0,0|1,0,0]=3 1814 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [2,0,0,0,0,0|1,0,1]=4 1815 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [2,0,0,0,0,0|2,0,0]=4 1816 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [2,0,0,0,0,0|2,0,0]=4 1817 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [2,0,0,0,0,0|2,0,0]=4 1818 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [2,0,0,0,0,0|2,0,0]=4 1819 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [2,0,0,0,0,0|1,0,1]=4 1820 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [2,0,0,0,0,0|2,0,0]=4 1821 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [2,0,0,0,0,0|1,0,0]=3 1822 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [2,0,0,0,0,0|0,0,0]=2 1823 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [2,0,0,0,0,0|1,0,0]=3 1824 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [2,0,0,0,0,0|1,0,0]=3 1825 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [2,0,0,0,0,0|1,0,0]=3 1826 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [2,0,0,0,0,0|1,0,0]=3 1827 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [2,0,0,0,0,0|2,0,0]=4 1828 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [2,0,0,0,0,0|2,0,0]=4 1829 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [2,0,0,0,0,0|2,0,0]=4 1830 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [2,0,0,0,0,0|2,0,0]=4 1831 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [2,0,0,0,0,0|2,0,0]=4 1832 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [2,0,0,0,0,0|1,0,0]=3 1833 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [2,0,0,0,0,0|1,0,1]=4 1834 B12R0.4 CCC/C=C/C=CC(=O)CC(=O)N 1458a_200016258893_100000187820 [0,1,1,0,0,0|1,0,1]=4 1835 B12R1.75 C#Cc1ccccc1OC(C)C 34a_200011470546_100000210206 [1,1,0,0,0,0|1,0,1]=4 1836 B12R1.75 C#Cc1ccccc1OC(C)C 7a_200011470546_100000210206 [1,1,0,0,0,0|1,0,1]=4 1837 B12R1.75 C=Cc1ccccc1NC(C)C 271570a_100011290941_100000219599 [1,1,0,0,0,0|2,0,0]=4 1838 B12R1.75 C=Cc1ccccc1NC(C)C 34a_100012022501_100000210206 [1,1,0,0,0,0|2,0,0]=4 1839 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [1,1,0,0,0,0|1,0,1]=4 1840 B12R1.75 C=Cc1ccccc1OC(C)C 271570a_100011290941_100000173919 [1,1,0,0,0,0|1,0,0]=3 1841 B12R1.75 C=Cc1ccccc1OC(F)F 271570a_100011290941_100000742724 [1,1,0,0,0,0|2,0,0]=4 1842 B12R1.75 C=Cc1ccccc1SC(C)C 62a_100000210206_100011218376 [1,1,0,0,0,0|1,1,0]=4 1843 B12R1.75 C=Cc1ccccc1SC(C)C 62a_100011218376_100000210206 [1,1,0,0,0,0|1,1,0]=4 1844 B12R1.75 C=Cc1cccnc1OC(C)C 271570a_100011290941_200011465186 [1,1,0,0,0,0|2,0,0]=4 1845 B12R1.75 CC(=Cc1ccccc1C=O)C 271570a_100102525489_100000211189 [1,1,0,0,0,0|1,0,1]=4 1846 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [1,1,0,0,0,0|1,0,1]=4 1847 B12R1.75 CC(C)Oc1ccccc1C#N 34a_100000211048_100000210206 [1,1,0,0,0,0|0,0,2]=4 1848 B12R1.75 CC(C)Oc1ccccc1C#N 7a_100000211048_100000210206 [1,1,0,0,0,0|0,0,2]=4 1849 B12R1.75 CC(C)Oc1ccccc1CN 34a_100000185550_100000210206 [1,1,0,0,0,0|0,0,1]=3 1850 B12R1.75 CC(C)Oc1ccccc1CO 34a_100011216872_100000210206 [1,1,0,0,0,0|0,0,2]=4 1851 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 2230a_100000739276_200025704644 [1,1,0,0,0,0|2,0,0]=4 1852 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 34a_100000739276_200025704644 [1,1,0,0,0,0|2,0,0]=4 1853 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [1,1,0,0,0,0|2,0,0]=4 1854 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [1,1,0,0,0,0|2,0,0]=4 1855 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_100000173919_200025704644 [1,1,0,0,0,0|2,0,0]=4 1856 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_200025704644_100000173919 [1,1,0,0,0,0|2,0,0]=4 1857 B12R1.75 CC(C)Sc1ccccc1C=O 62a_100000210073_100000210206 [1,1,0,0,0,0|0,1,0]=3 1858 B12R1.75 CC(C)Sc1ccccc1C=O 62a_100000210206_100000210073 [1,1,0,0,0,0|0,1,0]=3 1859 B12R1.75 CC(C)Sc1ccccc1CN 62a_100000210206_100000689332 [1,1,0,0,0,0|0,1,1]=4 1860 B12R1.75 CC(C)Sc1ccccc1CN 62a_100000689332_100000210206 [1,1,0,0,0,0|0,1,1]=4 1861 B12R1.75 CC(C)Sc1ccccc1NN 62a_100000210206_100000241748 [1,1,0,0,0,0|1,1,0]=4 1862 B12R1.75 CC(C)Sc1ccccc1NN 62a_100000241748_100000210206 [1,1,0,0,0,0|1,1,0]=4 1863 B12R1.75 CC(C)Sc1cccnc1C=O 62a_100000210206_100011934733 [1,1,0,0,0,0|1,1,0]=4 1864 B12R1.75 CC(C)Sc1cccnc1C=O 62a_100011934733_100000210206 [1,1,0,0,0,0|1,1,0]=4 1865 B12R1.75 CC(C)Sc1ccncc1C=O 62a_100000050567_100000210206 [1,1,0,0,0,0|1,1,0]=4 1866 B12R1.75 CC(C)Sc1ccncc1C=O 62a_100000210206_100000050567 [1,1,0,0,0,0|1,1,0]=4 1867 B12R1.75 CC(C)Sc1cnccc1C=O 62a_100000210206_100011934409 [1,1,0,0,0,0|1,1,0]=4 1868 B12R1.75 CC(C)Sc1cnccc1C=O 62a_100011934409_100000210206 [1,1,0,0,0,0|1,1,0]=4 1869 B12R1.75 CC(C)Sc1ncccc1C=O 62a_100000210206_100009816751 [1,1,0,0,0,0|1,1,0]=4 1870 B12R1.75 CC(C)Sc1ncccc1C=O 62a_100009816751_100000210206 [1,1,0,0,0,0|1,1,0]=4 1871 B12R1.75 CCc1ccccc1OC(C)C 34a_100000210936_100000210206 [1,1,0,0,0,0|1,0,1]=4 1872 B12R1.75 CCc1ccccc1OC(C)C 7a_100000210936_100000210206 [1,1,0,0,0,0|1,0,1]=4 1873 B12R1.75 CN(C)Cc1ccccc1C=O 2230a_100102631434_200009853537 [1,1,0,0,0,0|2,0,0]=4 1874 B12R1.75 CN(C)Cc1ccccc1C=O 269982a_100102631434_200009853537 [1,1,0,0,0,0|2,0,0]=4 1875 B12R1.75 CNc1ccccc1OC(C)C 2230a_100000739276_200000210301 [1,1,0,0,0,0|2,0,0]=4 1876 B12R1.75 CNc1ccccc1OC(C)C 34a_100000033821_100000210206 [1,1,0,0,0,0|2,0,0]=4 1877 B12R1.75 CNc1ccccc1OC(C)C 34a_100000739276_200000210301 [1,1,0,0,0,0|2,0,0]=4 1878 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [1,1,0,0,0,0|2,0,0]=4 1879 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [1,1,0,0,0,0|2,0,0]=4 1880 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [1,1,0,0,0,0|2,0,0]=4 1881 B12R1.75 CSc1ccccc1OC(C)C 34a_100011216402_100000210206 [1,1,0,0,0,0|2,0,0]=4 1882 B12R1.75 CSc1ccccc1OC(C)C 62a_100000173919_200000210301 [1,1,0,0,0,0|2,0,0]=4 1883 B12R1.75 CSc1ccccc1OC(C)C 62a_200000210301_100000173919 [1,1,0,0,0,0|2,0,0]=4 1884 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [1,1,0,0,0,0|2,0,0]=4 1885 B12R1.77 CCC(=O)c1ccccc1I=O 1458a_100000032414_100000210202 [1,1,0,0,0,0|2,0,0]=4 1886 B12R1.112 C=Cc1cc(ccc1OCC)C 271570a_100011290941_200000230997 [1,1,0,0,0,0|1,0,0]=3 1887 B12R1.112 C=Cc1cc(ccc1OCC)F 271570a_100011290941_100000171695 [1,1,0,0,0,0|1,0,0]=3 1888 B12R1.112 C=Cc1cc(ccc1SCC)F 62a_100000210202_100012356183 [1,1,0,0,0,0|1,1,0]=4 1889 B12R1.112 C=Cc1cc(ccc1SCC)F 62a_100012356183_100000210202 [1,1,0,0,0,0|1,1,0]=4 1890 B12R1.112 C=Cc1cc(cnc1OCC)Br 271570a_100011290941_200010177599 [1,1,0,0,0,0|2,0,0]=4 1891 B12R1.112 CC=Cc1ccc(cc1C=O)Br 271570a_100016259895_100010185651 [1,1,0,0,0,0|1,0,1]=4 1892 B12R1.112 CC=Cc1ccc(cc1C=O)C 271570a_100016259895_100011551863 [1,1,0,0,0,0|1,0,1]=4 1893 B12R1.112 CC=Cc1ccc(cc1C=O)Cl 271570a_100016259895_100010254386 [1,1,0,0,0,0|1,0,1]=4 1894 B12R1.112 CC=Cc1ccc(cc1C=O)F 271570a_100016259895_100011218309 [1,1,0,0,0,0|1,0,1]=4 1895 B12R1.112 CC=Cc1ccc(cc1C=O)O 271570a_100016259895_100000690577 [1,1,0,0,0,0|1,0,1]=4 1896 B12R1.112 CCOc1ccc(cc1C#N)Br 34a_100000687585_100000210202 [1,1,0,0,0,0|0,0,2]=4 1897 B12R1.112 CCOc1ccc(cc1C#N)Br 7a_100000687585_100000210202 [1,1,0,0,0,0|0,0,2]=4 1898 B12R1.112 CCOc1ccc(cc1C#N)C 34a_200012180384_100000210202 [1,1,0,0,0,0|0,0,2]=4 1899 B12R1.112 CCOc1ccc(cc1C#N)C 7a_200012180384_100000210202 [1,1,0,0,0,0|0,0,2]=4 1900 B12R1.112 CCOc1ccc(cc1C#N)Cl 34a_100011219380_100000210202 [1,1,0,0,0,0|0,0,2]=4 1901 B12R1.112 CCOc1ccc(cc1C#N)Cl 7a_100011219380_100000210202 [1,1,0,0,0,0|0,0,2]=4 1902 B12R1.112 CCOc1ccc(cc1C#N)F 34a_100011900173_100000210202 [1,1,0,0,0,0|0,0,2]=4 1903 B12R1.112 CCOc1ccc(cc1C#N)F 7a_100011900173_100000210202 [1,1,0,0,0,0|0,0,2]=4 1904 B12R1.112 CCOc1ccc(cc1C#N)I 34a_200000049958_100000210202 [1,1,0,0,0,0|0,0,2]=4 1905 B12R1.112 CCOc1ccc(cc1C#N)I 7a_200000049958_100000210202 [1,1,0,0,0,0|0,0,2]=4 1906 B12R1.112 CCOc1ccc(cc1C#N)N 34a_100011249283_100000210202 [1,1,0,0,0,0|0,0,2]=4 1907 B12R1.112 CCOc1ccc(cc1C#N)N 7a_100011249283_100000210202 [1,1,0,0,0,0|0,0,2]=4 1908 B12R1.112 CCOc1ccc(cc1C#N)O 271570a_203496583355_100000188824 [1,1,0,0,0,0|0,0,2]=4 1909 B12R1.112 CCOc1ccc(cc1C=O)O 271570a_203496583355_100000170027 [1,1,0,0,0,0|0,0,0]=2 1910 B12R1.112 CCOc1ccc(cc1CBr)F 34a_100010161318_100000210202 [1,1,0,0,0,0|1,0,1]=4 1911 B12R1.112 CCOc1ccc(cc1CBr)F 7a_100010161318_100000210202 [1,1,0,0,0,0|1,0,1]=4 1912 B12R1.112 CCOc1ccc(cc1CC)Br 34a_100012338938_100000210202 [1,1,0,0,0,0|1,0,1]=4 1913 B12R1.112 CCOc1ccc(cc1CC)Br 7a_100012338938_100000210202 [1,1,0,0,0,0|1,0,1]=4 1914 B12R1.112 CCOc1ccc(cc1CC)C 34a_100009844793_100000210202 [1,1,0,0,0,0|1,0,1]=4 1915 B12R1.112 CCOc1ccc(cc1CC)C 7a_100009844793_100000210202 [1,1,0,0,0,0|1,0,1]=4 1916 B12R1.112 CCOc1ccc(cc1CC)F 34a_200000035566_100000210202 [1,1,0,0,0,0|1,0,1]=4 1917 B12R1.112 CCOc1ccc(cc1CC)F 7a_200000035566_100000210202 [1,1,0,0,0,0|1,0,1]=4 1918 B12R1.112 CCOc1ccc(cc1CC)O 271570a_203496583355_200010070707 [1,1,0,0,0,0|1,0,1]=4 1919 B12R1.112 CCOc1ccc(cc1CN)Br 34a_100000730032_100000210202 [1,1,0,0,0,0|0,0,1]=3 1920 B12R1.112 CCOc1ccc(cc1CN)Cl 34a_100000238540_100000210202 [1,1,0,0,0,0|0,0,1]=3 1921 B12R1.112 CCOc1ccc(cc1CO)Br 34a_100000184703_100000210202 [1,1,0,0,0,0|0,0,2]=4 1922 B12R1.112 CCOc1ccc(cc1CO)Br 7a_100000184703_100000210202 [1,1,0,0,0,0|0,0,2]=4 1923 B12R1.112 CCOc1ccc(cc1CO)C 34a_200011846009_100000210202 [1,1,0,0,0,0|0,0,2]=4 1924 B12R1.112 CCOc1ccc(cc1CO)C 7a_200011846009_100000210202 [1,1,0,0,0,0|0,0,2]=4 1925 B12R1.112 CCOc1ccc(cc1CO)Cl 34a_100011218961_100000210202 [1,1,0,0,0,0|0,0,2]=4 1926 B12R1.112 CCOc1ccc(cc1CO)Cl 7a_100011218961_100000210202 [1,1,0,0,0,0|0,0,2]=4 1927 B12R1.112 CCOc1ccc(cc1CO)F 34a_100011291448_100000210202 [1,1,0,0,0,0|0,0,2]=4 1928 B12R1.112 CCOc1ccc(cc1CO)F 7a_100011291448_100000210202 [1,1,0,0,0,0|0,0,2]=4 1929 B12R1.112 CCOc1ccc(cc1CO)I 34a_100000049520_100000210202 [1,1,0,0,0,0|0,0,2]=4 1930 B12R1.112 CCOc1ccc(cc1CO)I 7a_100000049520_100000210202 [1,1,0,0,0,0|0,0,2]=4 1931 B12R1.112 CCOc1ccc(cc1NC)Br 2230a_100000751366_200000210301 [1,1,0,0,0,0|2,0,0]=4 1932 B12R1.112 CCOc1ccc(cc1NC)Br 34a_100000751366_200000210301 [1,1,0,0,0,0|2,0,0]=4 1933 B12R1.112 CCOc1ccc(cc1NC)C 2230a_100011202655_200000210301 [1,1,0,0,0,0|2,0,0]=4 1934 B12R1.112 CCOc1ccc(cc1NC)C 34a_100011202655_200000210301 [1,1,0,0,0,0|2,0,0]=4 1935 B12R1.112 CCOc1ccc(cc1NC)Cl 2230a_100000742605_200000210301 [1,1,0,0,0,0|2,0,0]=4 1936 B12R1.112 CCOc1ccc(cc1NC)Cl 34a_100000742605_200000210301 [1,1,0,0,0,0|2,0,0]=4 1937 B12R1.112 CCOc1ccc(cc1N[13CH3])Br 2230a_100000751366_200025704644 [1,1,0,0,0,0|2,0,0]=4 1938 B12R1.112 CCOc1ccc(cc1N[13CH3])Br 34a_100000751366_200025704644 [1,1,0,0,0,0|2,0,0]=4 1939 B12R1.112 CCOc1ccc(cc1N[13CH3])C 2230a_100011202655_200025704644 [1,1,0,0,0,0|2,0,0]=4 1940 B12R1.112 CCOc1ccc(cc1N[13CH3])C 34a_100011202655_200025704644 [1,1,0,0,0,0|2,0,0]=4 1941 B12R1.112 CCOc1ccc(cc1N[13CH3])Cl 2230a_100000742605_200025704644 [1,1,0,0,0,0|2,0,0]=4 1942 B12R1.112 CCOc1ccc(cc1N[13CH3])Cl 34a_100000742605_200025704644 [1,1,0,0,0,0|2,0,0]=4 1943 B12R1.112 CCOc1ccc(cc1OC)Br 34a_100000694246_100000210202 [1,1,0,0,0,0|2,0,0]=4 1944 B12R1.112 CCOc1ccc(cc1OC)Br 7a_100000694246_100000210202 [1,1,0,0,0,0|2,0,0]=4 1945 B12R1.112 CCOc1ccc(cc1OC)C 34a_100000186466_100000210202 [1,1,0,0,0,0|2,0,0]=4 1946 B12R1.112 CCOc1ccc(cc1OC)Cl 34a_100000033002_100000210202 [1,1,0,0,0,0|2,0,0]=4 1947 B12R1.112 CCOc1ccc(cc1OC)F 34a_100000036057_100000210202 [1,1,0,0,0,0|2,0,0]=4 1948 B12R1.112 CCOc1ccc(cc1OC)F 7a_100000036057_100000210202 [1,1,0,0,0,0|2,0,0]=4 1949 B12R1.112 CCOc1ccc(cc1OC)I 34a_100000049635_100000210202 [1,1,0,0,0,0|2,0,0]=4 1950 B12R1.112 CCOc1ccc(cc1OC)N 34a_100000726020_100000210202 [1,1,0,0,0,0|2,0,0]=4 1951 B12R1.112 CCOc1ccc(cc1OC)O 271570a_203496583355_200012344064 [1,1,0,0,0,0|2,0,0]=4 1952 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000210301_200000230997 [1,1,0,0,0,0|2,0,0]=4 1953 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000230997_200000210301 [1,1,0,0,0,0|2,0,0]=4 1954 B12R1.112 CCOc1ccc(cc1SC)F 62a_100000171695_200000210301 [1,1,0,0,0,0|2,0,0]=4 1955 B12R1.112 CCOc1ccc(cc1SC)F 62a_200000210301_100000171695 [1,1,0,0,0,0|2,0,0]=4 1956 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200000230997_200025704644 [1,1,0,0,0,0|2,0,0]=4 1957 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200025704644_200000230997 [1,1,0,0,0,0|2,0,0]=4 1958 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_100000171695_200025704644 [1,1,0,0,0,0|2,0,0]=4 1959 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_200025704644_100000171695 [1,1,0,0,0,0|2,0,0]=4 1960 B12R1.112 CCSc1ccc(cc1C=O)Br 62a_100000210202_100010185651 [1,1,0,0,0,0|0,1,0]=3 1961 B12R1.112 CCSc1ccc(cc1C=O)Br 62a_100010185651_100000210202 [1,1,0,0,0,0|0,1,0]=3 1962 B12R1.112 CCSc1ccc(cc1C=O)C 62a_100000210202_100011551863 [1,1,0,0,0,0|0,1,0]=3 1963 B12R1.112 CCSc1ccc(cc1C=O)C 62a_100011551863_100000210202 [1,1,0,0,0,0|0,1,0]=3 1964 B12R1.112 CCSc1ccc(cc1C=O)Cl 62a_100000210202_100010254386 [1,1,0,0,0,0|0,1,0]=3 1965 B12R1.112 CCSc1ccc(cc1C=O)Cl 62a_100010254386_100000210202 [1,1,0,0,0,0|0,1,0]=3 1966 B12R1.112 CCSc1ccc(cc1C=O)F 62a_100000210202_100011218309 [1,1,0,0,0,0|0,1,0]=3 1967 B12R1.112 CCSc1ccc(cc1C=O)F 62a_100011218309_100000210202 [1,1,0,0,0,0|0,1,0]=3 1968 B12R1.112 CCSc1ccc(cc1C=O)O 62a_100000210202_100000690577 [1,1,0,0,0,0|0,1,0]=3 1969 B12R1.112 CCSc1ccc(cc1C=O)O 62a_100000690577_100000210202 [1,1,0,0,0,0|0,1,0]=3 1970 B12R1.112 CCSc1ccc(cc1CN)F 62a_100000210202_100000742738 [1,1,0,0,0,0|0,1,1]=4 1971 B12R1.112 CCSc1ccc(cc1CN)F 62a_100000742738_100000210202 [1,1,0,0,0,0|0,1,1]=4 1972 B12R1.112 CCSc1ccc(cc1NN)F 62a_100000210202_100012362518 [1,1,0,0,0,0|1,1,0]=4 1973 B12R1.112 CCSc1ccc(cc1NN)F 62a_100012362518_100000210202 [1,1,0,0,0,0|1,1,0]=4 1974 B12R1.112 CCSc1ccc(nc1C=O)C 62a_100000210202_100010173661 [1,1,0,0,0,0|1,1,0]=4 1975 B12R1.112 CCSc1ccc(nc1C=O)C 62a_100010173661_100000210202 [1,1,0,0,0,0|1,1,0]=4 1976 B12R1.112 CCSc1cnc(cc1C=O)O 62a_100000210202_100010064890 [1,1,0,0,0,0|1,1,0]=4 1977 B12R1.112 CCSc1cnc(cc1C=O)O 62a_100010064890_100000210202 [1,1,0,0,0,0|1,1,0]=4 1978 B12R1.112 CCSc1ncc(cc1C=O)C 62a_100000210202_100000050350 [1,1,0,0,0,0|1,1,0]=4 1979 B12R1.112 CCSc1ncc(cc1C=O)F 62a_100000079965_100000210202 [1,1,0,0,0,0|1,1,0]=4 1980 B12R1.112 CCSc1ncc(cc1C=O)F 62a_100000210202_100000079965 [1,1,0,0,0,0|1,1,0]=4 1981 B12R1.112 CNCc1ccc(cc1C=O)F 2230a_106832991635_100010132769 [1,1,0,0,0,0|2,0,0]=4 1982 B12R1.112 CNCc1ccc(cc1C=O)F 34a_100102657272_100010132769 [1,1,0,0,0,0|2,0,0]=4 1983 B12R1.112 CNCc1ccc(cc1C=O)F 7a_106832991635_100010132769 [1,1,0,0,0,0|2,0,0]=4 1984 B12R1.112 COCc1ccc(cc1C=O)F 34a_100138415774_100010132769 [1,1,0,0,0,0|2,0,0]=4 1985 B12R1.112 CSCc1ccc(cc1C=O)F 62a_100010132769_200000210301 [1,1,0,0,0,0|2,0,0]=4 1986 B12R1.112 CSCc1ccc(cc1C=O)F 62a_200000210301_100010132769 [1,1,0,0,0,0|2,0,0]=4 1987 B12R1.112 Cc1ccc(c(c1)C=O)SCF 62a_100011551863_100015361967 [1,1,0,0,0,0|1,1,0]=4 1988 B12R1.112 Cc1ccc(c(c1)C=O)SCF 62a_100015361967_100011551863 [1,1,0,0,0,0|1,1,0]=4 1989 B12R1.112 NCc1cc(ccc1OCF)Br 34a_100000730032_100015361967 [1,1,0,0,0,0|1,0,1]=4 1990 B12R1.112 NCc1cc(ccc1OCF)Cl 34a_100000238540_100015361967 [1,1,0,0,0,0|1,0,1]=4 1991 B12R1.112 O=Cc1cc(ccc1SCF)Br 62a_100010185651_100015361967 [1,1,0,0,0,0|1,1,0]=4 1992 B12R1.112 O=Cc1cc(ccc1SCF)Br 62a_100015361967_100010185651 [1,1,0,0,0,0|1,1,0]=4 1993 B12R1.112 O=Cc1cc(ccc1SCF)Cl 62a_100010254386_100015361967 [1,1,0,0,0,0|1,1,0]=4 1994 B12R1.112 O=Cc1cc(ccc1SCF)Cl 62a_100015361967_100010254386 [1,1,0,0,0,0|1,1,0]=4 1995 B12R1.112 O=Cc1cc(ccc1SCF)F 62a_100011218309_100015361967 [1,1,0,0,0,0|1,1,0]=4 1996 B12R1.112 O=Cc1cc(ccc1SCF)F 62a_100015361967_100011218309 [1,1,0,0,0,0|1,1,0]=4 1997 B12R1.112 O=Cc1cc(ccc1SCF)O 62a_100000690577_100015361967 [1,1,0,0,0,0|1,1,0]=4 1998 B12R1.112 O=Cc1cc(ccc1SCF)O 62a_100015361967_100000690577 [1,1,0,0,0,0|1,1,0]=4 1999 B12R1.112 [13CH3]SCc1ccc(cc1C=O)F 62a_100010132769_200025704644 [1,1,0,0,0,0|2,0,0]=4 2000 B12R1.112 [13CH3]SCc1ccc(cc1C=O)F 62a_200025704644_100010132769 [1,1,0,0,0,0|2,0,0]=4 2001 B12R1.121 C#CCOc1ccccc1CN 34a_100000185550_100000184674 [1,1,0,0,0,0|0,0,2]=4 2002 B12R1.121 C#CCSc1ccccc1C=O 62a_100000038162_100000210073 [1,1,0,0,0,0|0,1,1]=4 2003 B12R1.121 C#Cc1ccccc1COCC 34a_100000054652_100000210202 [1,1,0,0,0,0|1,0,1]=4 2004 B12R1.121 C#Cc1ccccc1COCC 7a_100000054652_100000210202 [1,1,0,0,0,0|1,0,1]=4 2005 B12R1.121 C#Cc1ccccc1OCCC 34a_200011470546_100000210303 [1,1,0,0,0,0|1,0,1]=4 2006 B12R1.121 C#Cc1ccccc1OCCC 7a_200011470546_100000210303 [1,1,0,0,0,0|1,0,1]=4 2007 B12R1.121 C#Cc1ccccc1OCCF 34a_200011470546_100011217306 [1,1,0,0,0,0|1,0,1]=4 2008 B12R1.121 C#Cc1ccccc1OCCF 7a_200011470546_100011217306 [1,1,0,0,0,0|1,0,1]=4 2009 B12R1.121 C#Cc1ccccc1OCCO 34a_200011470546_100000211926 [1,1,0,0,0,0|1,0,1]=4 2010 B12R1.121 C#Cc1ccccc1OCCO 7a_200011470546_100000211926 [1,1,0,0,0,0|1,0,1]=4 2011 B12R1.121 C#Cc1ccccc1OCSC 34a_200011470546_100011218213 [1,1,0,0,0,0|1,0,1]=4 2012 B12R1.121 C=CCOc1ccccc1CN 34a_100000185550_100015514636 [1,1,0,0,0,0|0,0,2]=4 2013 B12R1.121 C=CCSc1ccccc1C=O 62a_100000210073_100000210623 [1,1,0,0,0,0|0,1,1]=4 2014 B12R1.121 C=CCSc1ccccc1C=O 62a_100000210623_100000210073 [1,1,0,0,0,0|0,1,1]=4 2015 B12R1.121 C=Cc1ccccc1CCCO 271570a_100011290941_100000699526 [1,1,0,0,0,0|2,0,0]=4 2016 B12R1.121 C=Cc1ccccc1COCC 271570a_100011290941_200011493690 [1,1,0,0,0,0|1,0,0]=3 2017 B12R1.121 C=Cc1ccccc1COCC 34a_200010883148_100000210202 [1,1,0,0,0,0|1,0,0]=3 2018 B12R1.121 C=Cc1ccccc1COCC 7a_200010883148_100000210202 [1,1,0,0,0,0|1,0,0]=3 2019 B12R1.121 C=Cc1ccccc1COCF 34a_200010883148_100015361967 [1,1,0,0,0,0|2,0,0]=4 2020 B12R1.121 C=Cc1ccccc1COCF 7a_200010883148_100015361967 [1,1,0,0,0,0|2,0,0]=4 2021 B12R1.121 C=Cc1ccccc1CSCC 271570a_100011290941_200000173030 [1,1,0,0,0,0|1,1,0]=4 2022 B12R1.121 C=Cc1ccccc1NCCC 34a_100012022501_100000210303 [1,1,0,0,0,0|2,0,0]=4 2023 B12R1.121 C=Cc1ccccc1NCCF 34a_100012022501_100011217306 [1,1,0,0,0,0|2,0,0]=4 2024 B12R1.121 C=Cc1ccccc1NCCO 34a_100012022501_100000211926 [1,1,0,0,0,0|2,0,0]=4 2025 B12R1.121 C=Cc1ccccc1NCSC 34a_100012022501_100011218213 [1,1,0,0,0,0|2,0,0]=4 2026 B12R1.121 C=Cc1ccccc1OCC#N 271570a_100011290941_200000173881 [1,1,0,0,0,0|1,0,1]=4 2027 B12R1.121 C=Cc1ccccc1OCCC 271570a_100011290941_100000174042 [1,1,0,0,0,0|1,0,0]=3 2028 B12R1.121 C=Cc1ccccc1OCCN 271570a_100011290941_100000744007 [1,1,0,0,0,0|1,0,0]=3 2029 B12R1.121 C=Cc1ccccc1OCCO 271570a_100011290941_100000230753 [1,1,0,0,0,0|1,0,0]=3 2030 B12R1.121 C=Cc1ccccc1OCOC 271570a_100011290941_200000230759 [1,1,0,0,0,0|1,0,0]=3 2031 B12R1.121 C=Cc1ccccc1SCCC 62a_100000210303_100011218376 [1,1,0,0,0,0|1,1,0]=4 2032 B12R1.121 C=Cc1ccccc1SCCC 62a_100011218376_100000210303 [1,1,0,0,0,0|1,1,0]=4 2033 B12R1.121 C=Cc1ccccc1SCCF 62a_100011217306_100011218376 [1,1,0,0,0,0|1,1,0]=4 2034 B12R1.121 C=Cc1ccccc1SCCF 62a_100011218376_100011217306 [1,1,0,0,0,0|1,1,0]=4 2035 B12R1.121 C=Cc1ccccc1SCCO 271570a_100011290941_200000230852 [1,1,0,0,0,0|1,1,0]=4 2036 B12R1.121 C=Cc1ccccc1SCCO 62a_100000211926_100011218376 [1,1,0,0,0,0|1,1,0]=4 2037 B12R1.121 C=Cc1ccccc1SCCO 62a_100011218376_100000211926 [1,1,0,0,0,0|1,1,0]=4 2038 B12R1.121 C=Cc1ccccc1SCOC 62a_100000766300_100011218376 [1,1,0,0,0,0|1,1,0]=4 2039 B12R1.121 C=Cc1ccccc1SCOC 62a_100011218376_100000766300 [1,1,0,0,0,0|1,1,0]=4 2040 B12R1.121 C=Cc1ccccc1SCSC 62a_100011218213_100011218376 [1,1,0,0,0,0|1,1,0]=4 2041 B12R1.121 C=Cc1ccccc1SCSC 62a_100011218376_100011218213 [1,1,0,0,0,0|1,1,0]=4 2042 B12R1.121 C=Cc1cccnc1OCCC 271570a_100011290941_200011465209 [1,1,0,0,0,0|2,0,0]=4 2043 B12R1.121 C=Cc1ncccc1OCCF 271570a_100011290941_100012814765 [1,1,0,0,0,0|2,0,0]=4 2044 B12R1.121 C=Cc1ncccc1OCOC 271570a_100011290941_100011935308 [1,1,0,0,0,0|2,0,0]=4 2045 B12R1.121 CCCCc1ccccc1C=O 271570a_100020621405_100000211189 [1,1,0,0,0,0|1,0,0]=3 2046 B12R1.121 CCCCc1ccccc1CN 271570a_100020621405_100000689332 [1,1,0,0,0,0|1,0,1]=4 2047 B12R1.121 CCCCc1ccccc1NN 271570a_100020621405_100000241748 [1,1,0,0,0,0|2,0,0]=4 2048 B12R1.121 CCCCc1cccnc1C=O 271570a_100020621405_100011934733 [1,1,0,0,0,0|2,0,0]=4 2049 B12R1.121 CCCCc1ccncc1C=O 271570a_100020621405_100000050567 [1,1,0,0,0,0|2,0,0]=4 2050 B12R1.121 CCCCc1cnccc1C=O 271570a_100020621405_100011934409 [1,1,0,0,0,0|2,0,0]=4 2051 B12R1.121 CCCCc1ncccc1C=O 271570a_100020621405_100009816751 [1,1,0,0,0,0|2,0,0]=4 2052 B12R1.121 CCCOc1ccccc1C#N 34a_100000211048_100000210303 [1,1,0,0,0,0|0,0,2]=4 2053 B12R1.121 CCCOc1ccccc1C#N 7a_100000211048_100000210303 [1,1,0,0,0,0|0,0,2]=4 2054 B12R1.121 CCCOc1ccccc1CC 34a_100000210936_100000210303 [1,1,0,0,0,0|1,0,1]=4 2055 B12R1.121 CCCOc1ccccc1CC 7a_100000210936_100000210303 [1,1,0,0,0,0|1,0,1]=4 2056 B12R1.121 CCCOc1ccccc1CN 34a_100000185550_100000210303 [1,1,0,0,0,0|0,0,1]=3 2057 B12R1.121 CCCOc1ccccc1CO 34a_100011216872_100000210303 [1,1,0,0,0,0|0,0,2]=4 2058 B12R1.121 CCCOc1ccccc1NC 27a_100102657272_100000174042 [1,1,0,0,0,0|2,0,0]=4 2059 B12R1.121 CCCOc1ccccc1NC 34a_100000033821_100000210303 [1,1,0,0,0,0|2,0,0]=4 2060 B12R1.121 CCCOc1ccccc1NC 34a_100000683936_200000210301 [1,1,0,0,0,0|2,0,0]=4 2061 B12R1.121 CCCOc1ccccc1N[13CH3] 34a_100000683936_200025704644 [1,1,0,0,0,0|2,0,0]=4 2062 B12R1.121 CCCOc1ccccc1OC 34a_100000180214_200000210301 [1,1,0,0,0,0|2,0,0]=4 2063 B12R1.121 CCCOc1ccccc1OC 34a_100000210385_100000210303 [1,1,0,0,0,0|2,0,0]=4 2064 B12R1.121 CCCOc1ccccc1OC 7a_100000180214_200000210301 [1,1,0,0,0,0|2,0,0]=4 2065 B12R1.121 CCCOc1ccccc1O[13CH3] 34a_100000180214_200025704644 [1,1,0,0,0,0|2,0,0]=4 2066 B12R1.121 CCCOc1ccccc1O[13CH3] 7a_100000180214_200025704644 [1,1,0,0,0,0|2,0,0]=4 2067 B12R1.121 CCCOc1ccccc1SC 34a_100011216402_100000210303 [1,1,0,0,0,0|2,0,0]=4 2068 B12R1.121 CCCOc1ccccc1SC 62a_100000174042_200000210301 [1,1,0,0,0,0|2,0,0]=4 2069 B12R1.121 CCCOc1ccccc1SC 62a_200000210301_100000174042 [1,1,0,0,0,0|2,0,0]=4 2070 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_100000174042_200025704644 [1,1,0,0,0,0|2,0,0]=4 2071 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_200025704644_100000174042 [1,1,0,0,0,0|2,0,0]=4 2072 B12R1.121 CCCSc1ccccc1C=O 62a_100000210073_100000210303 [1,1,0,0,0,0|0,1,0]=3 2073 B12R1.121 CCCSc1ccccc1C=O 62a_100000210303_100000210073 [1,1,0,0,0,0|0,1,0]=3 2074 B12R1.121 CCCSc1ccccc1CN 62a_100000210303_100000689332 [1,1,0,0,0,0|0,1,1]=4 2075 B12R1.121 CCCSc1ccccc1CN 62a_100000689332_100000210303 [1,1,0,0,0,0|0,1,1]=4 2076 B12R1.121 CCCSc1ccccc1NN 62a_100000210303_100000241748 [1,1,0,0,0,0|1,1,0]=4 2077 B12R1.121 CCCSc1ccccc1NN 62a_100000241748_100000210303 [1,1,0,0,0,0|1,1,0]=4 2078 B12R1.121 CCCSc1cccnc1C=O 62a_100000210303_100011934733 [1,1,0,0,0,0|1,1,0]=4 2079 B12R1.121 CCCSc1cccnc1C=O 62a_100011934733_100000210303 [1,1,0,0,0,0|1,1,0]=4 2080 B12R1.121 CCCSc1ccncc1C=O 62a_100000050567_100000210303 [1,1,0,0,0,0|1,1,0]=4 2081 B12R1.121 CCCSc1ccncc1C=O 62a_100000210303_100000050567 [1,1,0,0,0,0|1,1,0]=4 2082 B12R1.121 CCCSc1cnccc1C=O 62a_100000210303_100011934409 [1,1,0,0,0,0|1,1,0]=4 2083 B12R1.121 CCCSc1cnccc1C=O 62a_100011934409_100000210303 [1,1,0,0,0,0|1,1,0]=4 2084 B12R1.121 CCCSc1ncccc1C=O 62a_100000210303_100009816751 [1,1,0,0,0,0|1,1,0]=4 2085 B12R1.121 CCCSc1ncccc1C=O 62a_100009816751_100000210303 [1,1,0,0,0,0|1,1,0]=4 2086 B12R1.121 CCNCc1ccccc1C=O 2230a_100015525214_200009853537 [1,1,0,0,0,0|1,0,0]=3 2087 B12R1.121 CCOCc1ccccc1C#N 34a_100121572206_100000181865 [1,1,0,0,0,0|0,0,2]=4 2088 B12R1.121 CCOCc1ccccc1C#N 34a_200011269968_100000210202 [1,1,0,0,0,0|0,0,2]=4 2089 B12R1.121 CCOCc1ccccc1C#N 7a_200011269968_100000210202 [1,1,0,0,0,0|0,0,2]=4 2090 B12R1.121 CCOCc1ccccc1C=O 34a_100121572206_200009853537 [1,1,0,0,0,0|0,0,0]=2 2091 B12R1.121 CCOCc1ccccc1CBr 34a_100009816955_100000210202 [1,1,0,0,0,0|1,0,1]=4 2092 B12R1.121 CCOCc1ccccc1CBr 7a_100009816955_100000210202 [1,1,0,0,0,0|1,0,1]=4 2093 B12R1.121 CCOCc1ccccc1CC 34a_100011663872_100000210202 [1,1,0,0,0,0|1,0,1]=4 2094 B12R1.121 CCOCc1ccccc1CC 7a_100011663872_100000210202 [1,1,0,0,0,0|1,0,1]=4 2095 B12R1.121 CCOCc1ccccc1CN 34a_100000743596_100000210202 [1,1,0,0,0,0|0,0,1]=3 2096 B12R1.121 CCOCc1ccccc1CO 34a_100121572206_100009816955 [1,1,0,0,0,0|0,0,2]=4 2097 B12R1.121 CCOCc1ccccc1OC 34a_100000211301_100000210202 [1,1,0,0,0,0|2,0,0]=4 2098 B12R1.121 CCOCc1ccccc1OC 34a_100121572206_100000210004 [1,1,0,0,0,0|2,0,0]=4 2099 B12R1.121 CCOCc1ccccc1SC 34a_100000699167_100000210202 [1,1,0,0,0,0|2,0,0]=4 2100 B12R1.121 CCOCc1ccccc1SC 34a_100121572206_100000699184 [1,1,0,0,0,0|2,0,0]=4 2101 B12R1.121 CCOCc1ccccc1SC 62a_200000210301_200011493690 [1,1,0,0,0,0|2,0,0]=4 2102 B12R1.121 CCOCc1ccccc1SC 62a_200011493690_200000210301 [1,1,0,0,0,0|2,0,0]=4 2103 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200011493690_200025704644 [1,1,0,0,0,0|2,0,0]=4 2104 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200025704644_200011493690 [1,1,0,0,0,0|2,0,0]=4 2105 B12R1.121 CCSCc1ccccc1C=O 62a_100000210202_200009853537 [1,1,0,0,0,0|0,1,0]=3 2106 B12R1.121 CCSCc1ccccc1C=O 62a_200009853537_100000210202 [1,1,0,0,0,0|0,1,0]=3 2107 B12R1.121 CCc1ccccc1OCCF 34a_100000210936_100011217306 [1,1,0,0,0,0|1,0,1]=4 2108 B12R1.121 CCc1ccccc1OCCF 7a_100000210936_100011217306 [1,1,0,0,0,0|1,0,1]=4 2109 B12R1.121 CCc1ccccc1OCCO 34a_100000210936_100000211926 [1,1,0,0,0,0|1,0,1]=4 2110 B12R1.121 CCc1ccccc1OCCO 7a_100000210936_100000211926 [1,1,0,0,0,0|1,0,1]=4 2111 B12R1.121 CCc1ccccc1OCSC 34a_100000210936_100011218213 [1,1,0,0,0,0|1,0,1]=4 2112 B12R1.121 CNCCc1ccccc1C=O 2230a_106832991635_100010186698 [1,1,0,0,0,0|1,0,0]=3 2113 B12R1.121 CNCCc1ccccc1C=O 34a_100102657272_100010186698 [1,1,0,0,0,0|1,0,0]=3 2114 B12R1.121 CNCCc1ccccc1C=O 7a_106832991635_100010186698 [1,1,0,0,0,0|1,0,0]=3 2115 B12R1.121 CNc1ccccc1OCCF 34a_100000033821_100011217306 [1,1,0,0,0,0|2,0,0]=4 2116 B12R1.121 CNc1ccccc1OCCF 34a_100012000959_200000210301 [1,1,0,0,0,0|2,0,0]=4 2117 B12R1.121 CNc1ccccc1OCCO 34a_100000033821_100000211926 [1,1,0,0,0,0|2,0,0]=4 2118 B12R1.121 CNc1ccccc1OCCO 34a_100132302172_200000210301 [1,1,0,0,0,0|2,0,0]=4 2119 B12R1.121 CNc1ccccc1OCSC 34a_100000033821_100011218213 [1,1,0,0,0,0|2,0,0]=4 2120 B12R1.121 COCCc1ccccc1C=O 34a_100138415774_100010186698 [1,1,0,0,0,0|1,0,0]=3 2121 B12R1.121 COCOc1ccccc1SC 62a_200000210301_200000230759 [1,1,0,0,0,0|2,0,0]=4 2122 B12R1.121 COCOc1ccccc1SC 62a_200000230759_200000210301 [1,1,0,0,0,0|2,0,0]=4 2123 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200000230759_200025704644 [1,1,0,0,0,0|2,0,0]=4 2124 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200025704644_200000230759 [1,1,0,0,0,0|2,0,0]=4 2125 B12R1.121 COCSc1ccccc1C=O 62a_100000210073_100000766300 [1,1,0,0,0,0|0,1,0]=3 2126 B12R1.121 COCSc1ccccc1C=O 62a_100000766300_100000210073 [1,1,0,0,0,0|0,1,0]=3 2127 B12R1.121 COCSc1ccccc1CN 62a_100000689332_100000766300 [1,1,0,0,0,0|0,1,1]=4 2128 B12R1.121 COCSc1ccccc1CN 62a_100000766300_100000689332 [1,1,0,0,0,0|0,1,1]=4 2129 B12R1.121 COCSc1ccccc1NN 62a_100000241748_100000766300 [1,1,0,0,0,0|1,1,0]=4 2130 B12R1.121 COCSc1ccccc1NN 62a_100000766300_100000241748 [1,1,0,0,0,0|1,1,0]=4 2131 B12R1.121 COCSc1cccnc1C=O 62a_100000766300_100011934733 [1,1,0,0,0,0|1,1,0]=4 2132 B12R1.121 COCSc1cccnc1C=O 62a_100011934733_100000766300 [1,1,0,0,0,0|1,1,0]=4 2133 B12R1.121 COCSc1ccncc1C=O 62a_100000050567_100000766300 [1,1,0,0,0,0|1,1,0]=4 2134 B12R1.121 COCSc1ccncc1C=O 62a_100000766300_100000050567 [1,1,0,0,0,0|1,1,0]=4 2135 B12R1.121 COCSc1cnccc1C=O 62a_100000766300_100011934409 [1,1,0,0,0,0|1,1,0]=4 2136 B12R1.121 COCSc1cnccc1C=O 62a_100011934409_100000766300 [1,1,0,0,0,0|1,1,0]=4 2137 B12R1.121 COCSc1ncccc1C=O 62a_100000766300_100009816751 [1,1,0,0,0,0|1,1,0]=4 2138 B12R1.121 COCSc1ncccc1C=O 62a_100009816751_100000766300 [1,1,0,0,0,0|1,1,0]=4 2139 B12R1.121 COc1ccccc1OCCF 34a_100000210385_100011217306 [1,1,0,0,0,0|2,0,0]=4 2140 B12R1.121 COc1ccccc1OCCO 34a_100000181789_200000210301 [1,1,0,0,0,0|2,0,0]=4 2141 B12R1.121 COc1ccccc1OCCO 34a_100000210385_100000211926 [1,1,0,0,0,0|2,0,0]=4 2142 B12R1.121 COc1ccccc1OCCO 7a_100000181789_200000210301 [1,1,0,0,0,0|2,0,0]=4 2143 B12R1.121 COc1ccccc1OCSC 34a_100000210385_100011218213 [1,1,0,0,0,0|2,0,0]=4 2144 B12R1.121 CSCCc1ccccc1C=O 62a_100010186698_200000210301 [1,1,0,0,0,0|1,0,0]=3 2145 B12R1.121 CSCCc1ccccc1C=O 62a_200000210301_100010186698 [1,1,0,0,0,0|1,0,0]=3 2146 B12R1.121 CSCOc1ccccc1C#N 34a_100000211048_100011218213 [1,1,0,0,0,0|0,0,2]=4 2147 B12R1.121 CSCOc1ccccc1CN 34a_100000185550_100011218213 [1,1,0,0,0,0|0,0,1]=3 2148 B12R1.121 CSCOc1ccccc1CO 34a_100011216872_100011218213 [1,1,0,0,0,0|0,0,2]=4 2149 B12R1.121 CSCOc1ccccc1SC 34a_100011216402_100011218213 [1,1,0,0,0,0|2,0,0]=4 2150 B12R1.121 CSCSc1ccccc1C=O 62a_100000210073_100011218213 [1,1,0,0,0,0|0,1,0]=3 2151 B12R1.121 CSCSc1ccccc1C=O 62a_100011218213_100000210073 [1,1,0,0,0,0|0,1,0]=3 2152 B12R1.121 CSCSc1ccccc1CN 62a_100000689332_100011218213 [1,1,0,0,0,0|0,1,1]=4 2153 B12R1.121 CSCSc1ccccc1CN 62a_100011218213_100000689332 [1,1,0,0,0,0|0,1,1]=4 2154 B12R1.121 CSCSc1ccccc1NN 62a_100000241748_100011218213 [1,1,0,0,0,0|1,1,0]=4 2155 B12R1.121 CSCSc1ccccc1NN 62a_100011218213_100000241748 [1,1,0,0,0,0|1,1,0]=4 2156 B12R1.121 CSCSc1cccnc1C=O 62a_100011218213_100011934733 [1,1,0,0,0,0|1,1,0]=4 2157 B12R1.121 CSCSc1cccnc1C=O 62a_100011934733_100011218213 [1,1,0,0,0,0|1,1,0]=4 2158 B12R1.121 CSCSc1ccncc1C=O 62a_100000050567_100011218213 [1,1,0,0,0,0|1,1,0]=4 2159 B12R1.121 CSCSc1ccncc1C=O 62a_100011218213_100000050567 [1,1,0,0,0,0|1,1,0]=4 2160 B12R1.121 CSCSc1cnccc1C=O 62a_100011218213_100011934409 [1,1,0,0,0,0|1,1,0]=4 2161 B12R1.121 CSCSc1cnccc1C=O 62a_100011934409_100011218213 [1,1,0,0,0,0|1,1,0]=4 2162 B12R1.121 CSCSc1ncccc1C=O 62a_100009816751_100011218213 [1,1,0,0,0,0|1,1,0]=4 2163 B12R1.121 CSCSc1ncccc1C=O 62a_100011218213_100009816751 [1,1,0,0,0,0|1,1,0]=4 2164 B12R1.121 CSc1ccccc1OCCF 34a_100011216402_100011217306 [1,1,0,0,0,0|2,0,0]=4 2165 B12R1.121 CSc1ccccc1OCCN 62a_100000744007_200000210301 [1,1,0,0,0,0|2,0,0]=4 2166 B12R1.121 CSc1ccccc1OCCN 62a_200000210301_100000744007 [1,1,0,0,0,0|2,0,0]=4 2167 B12R1.121 CSc1ccccc1OCCO 34a_100011216402_100000211926 [1,1,0,0,0,0|2,0,0]=4 2168 B12R1.121 CSc1ccccc1OCCO 62a_100000230753_200000210301 [1,1,0,0,0,0|2,0,0]=4 2169 B12R1.121 CSc1ccccc1OCCO 62a_200000210301_100000230753 [1,1,0,0,0,0|2,0,0]=4 2170 B12R1.121 N#CCSc1ccccc1C=O 62a_100000210073_100011215382 [1,1,0,0,0,0|0,1,1]=4 2171 B12R1.121 N#CCSc1ccccc1C=O 62a_100011215382_100000210073 [1,1,0,0,0,0|0,1,1]=4 2172 B12R1.121 N#Cc1ccccc1OCCF 34a_100000211048_100011217306 [1,1,0,0,0,0|0,0,2]=4 2173 B12R1.121 N#Cc1ccccc1OCCF 7a_100000211048_100011217306 [1,1,0,0,0,0|0,0,2]=4 2174 B12R1.121 N#Cc1ccccc1OCCO 34a_100000211048_100000211926 [1,1,0,0,0,0|0,0,2]=4 2175 B12R1.121 N#Cc1ccccc1OCCO 7a_100000211048_100000211926 [1,1,0,0,0,0|0,0,2]=4 2176 B12R1.121 NCc1ccccc1COCF 34a_100000743596_100015361967 [1,1,0,0,0,0|1,0,1]=4 2177 B12R1.121 NCc1ccccc1OCC=O 34a_100000185550_200009817547 [1,1,0,0,0,0|0,0,2]=4 2178 B12R1.121 NCc1ccccc1OCCF 34a_100000185550_100011217306 [1,1,0,0,0,0|0,0,1]=3 2179 B12R1.121 NCc1ccccc1OCCO 34a_100000185550_100000211926 [1,1,0,0,0,0|0,0,1]=3 2180 B12R1.121 NCc1ccccc1SCCF 62a_100000689332_100011217306 [1,1,0,0,0,0|0,1,1]=4 2181 B12R1.121 NCc1ccccc1SCCF 62a_100011217306_100000689332 [1,1,0,0,0,0|0,1,1]=4 2182 B12R1.121 NCc1ccccc1SCCO 62a_100000211926_100000689332 [1,1,0,0,0,0|0,1,1]=4 2183 B12R1.121 NCc1ccccc1SCCO 62a_100000689332_100000211926 [1,1,0,0,0,0|0,1,1]=4 2184 B12R1.121 NNc1ccccc1SCCF 62a_100000241748_100011217306 [1,1,0,0,0,0|1,1,0]=4 2185 B12R1.121 NNc1ccccc1SCCF 62a_100011217306_100000241748 [1,1,0,0,0,0|1,1,0]=4 2186 B12R1.121 NNc1ccccc1SCCO 62a_100000211926_100000241748 [1,1,0,0,0,0|1,1,0]=4 2187 B12R1.121 NNc1ccccc1SCCO 62a_100000241748_100000211926 [1,1,0,0,0,0|1,1,0]=4 2188 B12R1.121 O=CCSc1ccccc1C=O 62a_100000210073_200015260668 [1,1,0,0,0,0|0,1,1]=4 2189 B12R1.121 O=CCSc1ccccc1C=O 62a_200015260668_100000210073 [1,1,0,0,0,0|0,1,1]=4 2190 B12R1.121 O=Cc1ccccc1CSCF 62a_100015361967_200009853537 [1,1,0,0,0,0|1,1,0]=4 2191 B12R1.121 O=Cc1ccccc1CSCF 62a_200009853537_100015361967 [1,1,0,0,0,0|1,1,0]=4 2192 B12R1.121 O=Cc1ccccc1SCCF 62a_100000210073_100011217306 [1,1,0,0,0,0|0,1,0]=3 2193 B12R1.121 O=Cc1ccccc1SCCF 62a_100011217306_100000210073 [1,1,0,0,0,0|0,1,0]=3 2194 B12R1.121 O=Cc1ccccc1SCCO 62a_100000210073_100000211926 [1,1,0,0,0,0|0,1,0]=3 2195 B12R1.121 O=Cc1ccccc1SCCO 62a_100000211926_100000210073 [1,1,0,0,0,0|0,1,0]=3 2196 B12R1.121 O=Cc1cccnc1SCCF 62a_100009816751_100011217306 [1,1,0,0,0,0|1,1,0]=4 2197 B12R1.121 O=Cc1cccnc1SCCF 62a_100011217306_100009816751 [1,1,0,0,0,0|1,1,0]=4 2198 B12R1.121 O=Cc1cccnc1SCCO 62a_100000211926_100009816751 [1,1,0,0,0,0|1,1,0]=4 2199 B12R1.121 O=Cc1cccnc1SCCO 62a_100009816751_100000211926 [1,1,0,0,0,0|1,1,0]=4 2200 B12R1.121 O=Cc1ccncc1SCCF 62a_100011217306_100011934409 [1,1,0,0,0,0|1,1,0]=4 2201 B12R1.121 O=Cc1ccncc1SCCF 62a_100011934409_100011217306 [1,1,0,0,0,0|1,1,0]=4 2202 B12R1.121 O=Cc1ccncc1SCCO 62a_100000211926_100011934409 [1,1,0,0,0,0|1,1,0]=4 2203 B12R1.121 O=Cc1ccncc1SCCO 62a_100011934409_100000211926 [1,1,0,0,0,0|1,1,0]=4 2204 B12R1.121 O=Cc1cnccc1SCCF 62a_100000050567_100011217306 [1,1,0,0,0,0|1,1,0]=4 2205 B12R1.121 O=Cc1cnccc1SCCF 62a_100011217306_100000050567 [1,1,0,0,0,0|1,1,0]=4 2206 B12R1.121 O=Cc1cnccc1SCCO 62a_100000050567_100000211926 [1,1,0,0,0,0|1,1,0]=4 2207 B12R1.121 O=Cc1cnccc1SCCO 62a_100000211926_100000050567 [1,1,0,0,0,0|1,1,0]=4 2208 B12R1.121 O=Cc1ncccc1SCCF 62a_100011217306_100011934733 [1,1,0,0,0,0|1,1,0]=4 2209 B12R1.121 O=Cc1ncccc1SCCF 62a_100011934733_100011217306 [1,1,0,0,0,0|1,1,0]=4 2210 B12R1.121 O=Cc1ncccc1SCCO 62a_100000211926_100011934733 [1,1,0,0,0,0|1,1,0]=4 2211 B12R1.121 O=Cc1ncccc1SCCO 62a_100011934733_100000211926 [1,1,0,0,0,0|1,1,0]=4 2212 B12R1.121 OCCOc1ccccc1CO 34a_100011216872_100000211926 [1,1,0,0,0,0|0,0,2]=4 2213 B12R1.121 OCc1ccccc1OCCF 34a_100011216872_100011217306 [1,1,0,0,0,0|0,0,2]=4 2214 B12R1.121 [13CH3]Nc1ccccc1OCCF 34a_100012000959_200025704644 [1,1,0,0,0,0|2,0,0]=4 2215 B12R1.121 [13CH3]Nc1ccccc1OCCO 34a_100132302172_200025704644 [1,1,0,0,0,0|2,0,0]=4 2216 B12R1.121 [13CH3]Oc1ccccc1OCCO 34a_100000181789_200025704644 [1,1,0,0,0,0|2,0,0]=4 2217 B12R1.121 [13CH3]Oc1ccccc1OCCO 7a_100000181789_200025704644 [1,1,0,0,0,0|2,0,0]=4 2218 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_100010186698_200025704644 [1,1,0,0,0,0|1,0,0]=3 2219 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_200025704644_100010186698 [1,1,0,0,0,0|1,0,0]=3 2220 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_100000744007_200025704644 [1,1,0,0,0,0|2,0,0]=4 2221 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_200025704644_100000744007 [1,1,0,0,0,0|2,0,0]=4 2222 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_100000230753_200025704644 [1,1,0,0,0,0|2,0,0]=4 2223 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_200025704644_100000230753 [1,1,0,0,0,0|2,0,0]=4 2224 B12R1.169 C/C=C/c1ccccc1OCC 34a_200000189419_100000210202 [1,1,0,0,0,0|1,0,0]=3 2225 B12R1.169 C/C=C/c1ccccc1OCC 7a_200000189419_100000210202 [1,1,0,0,0,0|1,0,0]=3 2226 B12R1.169 C/C=C/c1ccccc1OCF 34a_200000189419_100015361967 [1,1,0,0,0,0|2,0,0]=4 2227 B12R1.169 C/C=C/c1ccccc1OCF 7a_200000189419_100015361967 [1,1,0,0,0,0|2,0,0]=4 2228 B12R1.169 C=C=Cc1ccccc1NCC 271570a_100015277604_114873767003 [1,1,0,0,0,0|2,0,0]=4 2229 B12R1.169 C=C=Cc1ccccc1OCC 271570a_100015277604_100000230754 [1,1,0,0,0,0|1,0,0]=3 2230 B12R1.169 C=C=Cc1ccccc1SCC 271570a_100015277604_100000230856 [1,1,0,0,0,0|1,1,0]=4 2231 B12R1.169 C=C=Cc1cccnc1OCC 271570a_100015277604_100011465154 [1,1,0,0,0,0|2,0,0]=4 2232 B12R1.169 C=C=Cc1ncccc1OCC 271570a_100015277604_100011597540 [1,1,0,0,0,0|2,0,0]=4 2233 B12R1.169 C=CCc1ccccc1NCC 2230a_200138433279_100000210202 [1,1,0,0,0,0|2,0,0]=4 2234 B12R1.169 C=CCc1ccccc1NCC 34a_200138433279_100000210202 [1,1,0,0,0,0|2,0,0]=4 2235 B12R1.169 C=CCc1ccccc1OCC 34a_100000211836_100000210202 [1,1,0,0,0,0|1,0,0]=3 2236 B12R1.169 C=CCc1ccccc1OCC 7a_100000211836_100000210202 [1,1,0,0,0,0|1,0,0]=3 2237 B12R1.169 C=CCc1ccccc1OCF 34a_100000211836_100015361967 [1,1,0,0,0,0|2,0,0]=4 2238 B12R1.169 C=CCc1ccccc1OCF 7a_100000211836_100015361967 [1,1,0,0,0,0|2,0,0]=4 2239 B12R1.169 C=CCc1ccccc1SCC 62a_100000210202_100009828059 [1,1,0,0,0,0|1,1,0]=4 2240 B12R1.169 C=CCc1ccccc1SCC 62a_100009828059_100000210202 [1,1,0,0,0,0|1,1,0]=4 2241 B12R1.169 CC=Cc1ccccc1NCC 271570a_100016259895_114873767003 [1,1,0,0,0,0|2,0,0]=4 2242 B12R1.169 CC=Cc1ccccc1OCC 271570a_100016259895_100000230754 [1,1,0,0,0,0|1,0,0]=3 2243 B12R1.169 CC=Cc1ccccc1SCC 271570a_100016259895_100000230856 [1,1,0,0,0,0|1,1,0]=4 2244 B12R1.169 CC=Cc1cccnc1OCC 271570a_100016259895_100011465154 [1,1,0,0,0,0|2,0,0]=4 2245 B12R1.169 CC=Cc1ncccc1OCC 271570a_100016259895_100011597540 [1,1,0,0,0,0|2,0,0]=4 2246 B12R1.169 CCCc1ccccc1CNC 26a_100102657272_100011217252 [1,1,0,0,0,0|1,0,1]=4 2247 B12R1.169 CCCc1ccccc1OCC 34a_100011217252_100000210202 [1,1,0,0,0,0|1,0,1]=4 2248 B12R1.169 CCCc1ccccc1OCC 7a_100011217252_100000210202 [1,1,0,0,0,0|1,0,1]=4 2249 B12R1.169 CCNc1ccccc1OCC 34a_100000211218_100000210202 [1,1,0,0,0,0|1,0,1]=4 2250 B12R1.169 CCNc1ccccc1OCC 34a_103624766699_100000210202 [1,1,0,0,0,0|1,0,1]=4 2251 B12R1.169 CCNc1ccccc1OCC 7a_103624766699_100000210202 [1,1,0,0,0,0|1,0,1]=4 2252 B12R1.169 CCOc1ccccc1CC#N 34a_100000043107_100000210202 [1,1,0,0,0,0|0,0,2]=4 2253 B12R1.169 CCOc1ccccc1CC#N 7a_100000043107_100000210202 [1,1,0,0,0,0|0,0,2]=4 2254 B12R1.169 CCOc1ccccc1CCBr 34a_100000722297_100000210202 [1,1,0,0,0,0|1,0,1]=4 2255 B12R1.169 CCOc1ccccc1CCBr 7a_100000722297_100000210202 [1,1,0,0,0,0|1,0,1]=4 2256 B12R1.169 CCOc1ccccc1CCN 34a_100011207237_100000210202 [1,1,0,0,0,0|0,0,1]=3 2257 B12R1.169 CCOc1ccccc1CCO 34a_100000719421_100000210202 [1,1,0,0,0,0|0,0,2]=4 2258 B12R1.169 CCOc1ccccc1CCO 7a_100000719421_100000210202 [1,1,0,0,0,0|0,0,2]=4 2259 B12R1.169 CCOc1ccccc1CNC 207a_100102657272_100000169843 [1,1,0,0,0,0|0,0,1]=3 2260 B12R1.169 CCOc1ccccc1CNC 270004a_106832991635_100000169843 [1,1,0,0,0,0|0,0,1]=3 2261 B12R1.169 CCOc1ccccc1CNC 34a_100015189988_100000210202 [1,1,0,0,0,0|0,0,1]=3 2262 B12R1.169 CCOc1ccccc1COC 34a_100000708577_200000210301 [1,1,0,0,0,0|0,0,2]=4 2263 B12R1.169 CCOc1ccccc1COC 34a_100011488565_100000210202 [1,1,0,0,0,0|0,0,2]=4 2264 B12R1.169 CCOc1ccccc1COC 7a_100000708577_200000210301 [1,1,0,0,0,0|0,0,2]=4 2265 B12R1.169 CCOc1ccccc1COC 7a_100011488565_100000210202 [1,1,0,0,0,0|0,0,2]=4 2266 B12R1.169 CCOc1ccccc1CO[13CH3] 34a_100000708577_200025704644 [1,1,0,0,0,0|0,0,2]=4 2267 B12R1.169 CCOc1ccccc1CO[13CH3] 7a_100000708577_200025704644 [1,1,0,0,0,0|0,0,2]=4 2268 B12R1.169 CCOc1ccccc1NCF 34a_100000211218_100015361967 [1,1,0,0,0,0|1,0,1]=4 2269 B12R1.169 CCOc1ccccc1OCC 34a_100000211404_100000210202 [1,1,0,0,0,0|1,0,1]=4 2270 B12R1.169 CCOc1ccccc1OCC 7a_100000211404_100000210202 [1,1,0,0,0,0|1,0,1]=4 2271 B12R1.169 CCOc1ccccc1OCF 34a_100000211404_100015361967 [1,1,0,0,0,0|1,0,1]=4 2272 B12R1.169 CCOc1ccccc1OCF 7a_100000211404_100015361967 [1,1,0,0,0,0|1,0,1]=4 2273 B12R1.169 CCOc1ccccc1SCC 62a_100000210202_100000230754 [1,1,0,0,0,0|1,0,1]=4 2274 B12R1.169 CCOc1ccccc1SCC 62a_100000230754_100000210202 [1,1,0,0,0,0|1,0,1]=4 2275 B12R1.169 CCOc1ccccc1SCF 62a_100000230754_100015361967 [1,1,0,0,0,0|1,0,1]=4 2276 B12R1.169 CCOc1ccccc1SCF 62a_100015361967_100000230754 [1,1,0,0,0,0|1,0,1]=4 2277 B12R1.169 CCOc1cccnc1CNC 207a_100102657272_100009876934 [1,1,0,0,0,0|1,0,1]=4 2278 B12R1.169 CCOc1cccnc1CNC 270004a_106832991635_100009876934 [1,1,0,0,0,0|1,0,1]=4 2279 B12R1.169 CCOc1ccncc1CNC 270004a_106832991635_200011935332 [1,1,0,0,0,0|1,0,1]=4 2280 B12R1.169 CCOc1ncccc1CNC 207a_100102657272_100011290805 [1,1,0,0,0,0|1,0,1]=4 2281 B12R1.169 CCOc1ncccc1CNC 270004a_106832991635_100011290805 [1,1,0,0,0,0|1,0,1]=4 2282 B12R1.169 CCSc1ccccc1CCN 62a_100000210202_100000747383 [1,1,0,0,0,0|0,1,1]=4 2283 B12R1.169 CCSc1ccccc1CCN 62a_100000747383_100000210202 [1,1,0,0,0,0|0,1,1]=4 2284 B12R1.169 CCSc1ccccc1CNC 62a_100000184654_100000210202 [1,1,0,0,0,0|0,1,1]=4 2285 B12R1.169 CCSc1ccccc1CNC 62a_100000210202_100000184654 [1,1,0,0,0,0|0,1,1]=4 2286 B12R1.169 CCSc1ccccc1CNN 62a_100000210202_200016993956 [1,1,0,0,0,0|0,1,1]=4 2287 B12R1.169 CCSc1ccccc1CNN 62a_200016993956_100000210202 [1,1,0,0,0,0|0,1,1]=4 2288 B12R1.169 CCSc1ccccc1NC=O 62a_100000210202_200020615051 [1,1,0,0,0,0|0,1,0]=3 2289 B12R1.169 CCSc1ccccc1NC=O 62a_200020615051_100000210202 [1,1,0,0,0,0|0,1,0]=3 2290 B12R1.169 CNCc1ccccc1OCF 34a_100015189988_100015361967 [1,1,0,0,0,0|1,0,1]=4 2291 B12R1.169 NCCc1ccccc1OCF 34a_100011207237_100015361967 [1,1,0,0,0,0|1,0,1]=4 2292 B12R1.169 O=CNc1ccccc1SCF 62a_100015361967_200020615051 [1,1,0,0,0,0|1,1,0]=4 2293 B12R1.169 O=CNc1ccccc1SCF 62a_200020615051_100015361967 [1,1,0,0,0,0|1,1,0]=4 2294 B12R1.268 C=Cc1ccc(cc1OCC)C 271570a_100011290941_200010713166 [1,1,0,0,0,0|1,0,0]=3 2295 B12R1.268 C=Cc1ccc(cc1OCC)F 271570a_100011290941_200012340411 [1,1,0,0,0,0|1,0,0]=3 2296 B12R1.268 C=Cc1ccc(cc1OCC)N 271570a_100011290941_200016990551 [1,1,0,0,0,0|1,0,0]=3 2297 B12R1.268 C=Cc1ccc(cc1SCC)F 62a_100000210202_100012354420 [1,1,0,0,0,0|1,1,0]=4 2298 B12R1.268 C=Cc1ccc(cc1SCC)F 62a_100012354420_100000210202 [1,1,0,0,0,0|1,1,0]=4 2299 B12R1.268 CC=Cc1cc(ccc1C=O)Br 271570a_100016259895_100010146562 [1,1,0,0,0,0|1,0,1]=4 2300 B12R1.268 CC=Cc1cc(ccc1C=O)C 271570a_100016259895_100000692596 [1,1,0,0,0,0|1,0,1]=4 2301 B12R1.268 CC=Cc1cc(ccc1C=O)F 271570a_100016259895_100000752949 [1,1,0,0,0,0|1,0,1]=4 2302 B12R1.268 CC=Cc1cc(ccc1C=O)O 271570a_100016259895_100011236494 [1,1,0,0,0,0|1,0,1]=4 2303 B12R1.268 CCNc1cc(ncc1C=O)F 27a_100015525214_100009862493 [1,1,0,0,0,0|2,0,0]=4 2304 B12R1.268 CCNc1nc(ccc1C=O)F 27a_100015525214_100009846357 [1,1,0,0,0,0|2,0,0]=4 2305 B12R1.268 CCOc1cc(ccc1C#N)Br 34a_100011934713_100000210202 [1,1,0,0,0,0|0,0,2]=4 2306 B12R1.268 CCOc1cc(ccc1C#N)Br 7a_100011934713_100000210202 [1,1,0,0,0,0|0,0,2]=4 2307 B12R1.268 CCOc1cc(ccc1C#N)C 34a_100011640519_100000210202 [1,1,0,0,0,0|0,0,2]=4 2308 B12R1.268 CCOc1cc(ccc1C#N)C 7a_100011640519_100000210202 [1,1,0,0,0,0|0,0,2]=4 2309 B12R1.268 CCOc1cc(ccc1C#N)Cl 34a_100000688488_100000210202 [1,1,0,0,0,0|0,0,2]=4 2310 B12R1.268 CCOc1cc(ccc1C#N)Cl 7a_100000688488_100000210202 [1,1,0,0,0,0|0,0,2]=4 2311 B12R1.268 CCOc1cc(ccc1C#N)F 34a_100012185923_100000210202 [1,1,0,0,0,0|0,0,2]=4 2312 B12R1.268 CCOc1cc(ccc1C#N)F 7a_100012185923_100000210202 [1,1,0,0,0,0|0,0,2]=4 2313 B12R1.268 CCOc1cc(ccc1C#N)N 34a_100000094571_100000210202 [1,1,0,0,0,0|0,0,2]=4 2314 B12R1.268 CCOc1cc(ccc1C#N)N 7a_100000094571_100000210202 [1,1,0,0,0,0|0,0,2]=4 2315 B12R1.268 CCOc1cc(ccc1C#N)O 271570a_203496583355_100013120067 [1,1,0,0,0,0|0,0,2]=4 2316 B12R1.268 CCOc1cc(ccc1CO)Br 34a_100000071718_100000210202 [1,1,0,0,0,0|0,0,2]=4 2317 B12R1.268 CCOc1cc(ccc1CO)Br 7a_100000071718_100000210202 [1,1,0,0,0,0|0,0,2]=4 2318 B12R1.268 CCOc1cc(ccc1NC)Br 2230a_100000688918_200000210301 [1,1,0,0,0,0|2,0,0]=4 2319 B12R1.268 CCOc1cc(ccc1NC)Br 34a_100000688918_200000210301 [1,1,0,0,0,0|2,0,0]=4 2320 B12R1.268 CCOc1cc(ccc1NC)C 2230a_100000742043_200000210301 [1,1,0,0,0,0|2,0,0]=4 2321 B12R1.268 CCOc1cc(ccc1NC)C 34a_100000742043_200000210301 [1,1,0,0,0,0|2,0,0]=4 2322 B12R1.268 CCOc1cc(ccc1NC)Cl 34a_100000687649_200000210301 [1,1,0,0,0,0|2,0,0]=4 2323 B12R1.268 CCOc1cc(ccc1NC)F 2230a_100000741351_200000210301 [1,1,0,0,0,0|2,0,0]=4 2324 B12R1.268 CCOc1cc(ccc1NC)F 34a_100000741351_200000210301 [1,1,0,0,0,0|2,0,0]=4 2325 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 2230a_100000688918_200025704644 [1,1,0,0,0,0|2,0,0]=4 2326 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 34a_100000688918_200025704644 [1,1,0,0,0,0|2,0,0]=4 2327 B12R1.268 CCOc1cc(ccc1N[13CH3])C 2230a_100000742043_200025704644 [1,1,0,0,0,0|2,0,0]=4 2328 B12R1.268 CCOc1cc(ccc1N[13CH3])C 34a_100000742043_200025704644 [1,1,0,0,0,0|2,0,0]=4 2329 B12R1.268 CCOc1cc(ccc1N[13CH3])Cl 34a_100000687649_200025704644 [1,1,0,0,0,0|2,0,0]=4 2330 B12R1.268 CCOc1cc(ccc1N[13CH3])F 2230a_100000741351_200025704644 [1,1,0,0,0,0|2,0,0]=4 2331 B12R1.268 CCOc1cc(ccc1N[13CH3])F 34a_100000741351_200025704644 [1,1,0,0,0,0|2,0,0]=4 2332 B12R1.268 CCOc1cc(ccc1OC)Br 34a_100009816560_100000210202 [1,1,0,0,0,0|2,0,0]=4 2333 B12R1.268 CCOc1cc(ccc1OC)Br 7a_100009816560_100000210202 [1,1,0,0,0,0|2,0,0]=4 2334 B12R1.268 CCOc1cc(ccc1OC)C 34a_100011216497_100000210202 [1,1,0,0,0,0|2,0,0]=4 2335 B12R1.268 CCOc1cc(ccc1OC)C 34a_200000034294_200000210301 [1,1,0,0,0,0|2,0,0]=4 2336 B12R1.268 CCOc1cc(ccc1OC)C 7a_100011216497_100000210202 [1,1,0,0,0,0|2,0,0]=4 2337 B12R1.268 CCOc1cc(ccc1OC)C 7a_200000034294_200000210301 [1,1,0,0,0,0|2,0,0]=4 2338 B12R1.268 CCOc1cc(ccc1OC)Cl 34a_100000101779_100000210202 [1,1,0,0,0,0|2,0,0]=4 2339 B12R1.268 CCOc1cc(ccc1OC)Cl 7a_100000101779_100000210202 [1,1,0,0,0,0|2,0,0]=4 2340 B12R1.268 CCOc1cc(ccc1OC)F 34a_100000034962_100000210202 [1,1,0,0,0,0|2,0,0]=4 2341 B12R1.268 CCOc1cc(ccc1OC)F 7a_100000034962_100000210202 [1,1,0,0,0,0|2,0,0]=4 2342 B12R1.268 CCOc1cc(ccc1OC)N 34a_100000211920_100000210202 [1,1,0,0,0,0|2,0,0]=4 2343 B12R1.268 CCOc1cc(ccc1OC)O 271570a_203496583355_200010219349 [1,1,0,0,0,0|2,0,0]=4 2344 B12R1.268 CCOc1cc(ccc1O[13CH3])C 34a_200000034294_200025704644 [1,1,0,0,0,0|2,0,0]=4 2345 B12R1.268 CCOc1cc(ccc1O[13CH3])C 7a_200000034294_200025704644 [1,1,0,0,0,0|2,0,0]=4 2346 B12R1.268 CCOc1cc(ccc1SC)C 62a_200000210301_200010713166 [1,1,0,0,0,0|2,0,0]=4 2347 B12R1.268 CCOc1cc(ccc1SC)C 62a_200010713166_200000210301 [1,1,0,0,0,0|2,0,0]=4 2348 B12R1.268 CCOc1cc(ccc1SC)F 62a_200000210301_200012340411 [1,1,0,0,0,0|2,0,0]=4 2349 B12R1.268 CCOc1cc(ccc1SC)F 62a_200012340411_200000210301 [1,1,0,0,0,0|2,0,0]=4 2350 B12R1.268 CCOc1cc(ccc1SC)N 62a_200000210301_200016990551 [1,1,0,0,0,0|2,0,0]=4 2351 B12R1.268 CCOc1cc(ccc1SC)N 62a_200016990551_200000210301 [1,1,0,0,0,0|2,0,0]=4 2352 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200010713166_200025704644 [1,1,0,0,0,0|2,0,0]=4 2353 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200025704644_200010713166 [1,1,0,0,0,0|2,0,0]=4 2354 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200012340411_200025704644 [1,1,0,0,0,0|2,0,0]=4 2355 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200025704644_200012340411 [1,1,0,0,0,0|2,0,0]=4 2356 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200016990551_200025704644 [1,1,0,0,0,0|2,0,0]=4 2357 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200025704644_200016990551 [1,1,0,0,0,0|2,0,0]=4 2358 B12R1.268 CCSc1cc(ccc1C=O)Br 62a_100000210202_100010146562 [1,1,0,0,0,0|0,1,0]=3 2359 B12R1.268 CCSc1cc(ccc1C=O)Br 62a_100010146562_100000210202 [1,1,0,0,0,0|0,1,0]=3 2360 B12R1.268 CCSc1cc(ccc1C=O)C 62a_100000210202_100011935181 [1,1,0,0,0,0|0,1,0]=3 2361 B12R1.268 CCSc1cc(ccc1C=O)C 62a_100011935181_100000210202 [1,1,0,0,0,0|0,1,0]=3 2362 B12R1.268 CCSc1cc(ccc1C=O)F 62a_100000210202_100000752949 [1,1,0,0,0,0|0,1,0]=3 2363 B12R1.268 CCSc1cc(ccc1C=O)F 62a_100000752949_100000210202 [1,1,0,0,0,0|0,1,0]=3 2364 B12R1.268 CCSc1cc(ccc1C=O)O 62a_100000210202_100011236494 [1,1,0,0,0,0|0,1,0]=3 2365 B12R1.268 CCSc1cc(ccc1C=O)O 62a_100011236494_100000210202 [1,1,0,0,0,0|0,1,0]=3 2366 B12R1.268 CCSc1cc(ccc1CN)F 62a_100000210202_100000708791 [1,1,0,0,0,0|0,1,1]=4 2367 B12R1.268 CCSc1cc(ccc1CN)F 62a_100000708791_100000210202 [1,1,0,0,0,0|0,1,1]=4 2368 B12R1.268 CCSc1cc(ccc1NN)C 62a_100000210202_100016996181 [1,1,0,0,0,0|1,1,0]=4 2369 B12R1.268 CCSc1cc(ccc1NN)C 62a_100016996181_100000210202 [1,1,0,0,0,0|1,1,0]=4 2370 B12R1.268 CCSc1cc(ncc1C=O)F 62a_100000210202_100009862493 [1,1,0,0,0,0|1,1,0]=4 2371 B12R1.268 CCSc1cc(ncc1C=O)F 62a_100009862493_100000210202 [1,1,0,0,0,0|1,1,0]=4 2372 B12R1.268 CCSc1nc(ccc1C=O)C 62a_100000085379_100000210202 [1,1,0,0,0,0|1,1,0]=4 2373 B12R1.268 CCSc1nc(ccc1C=O)C 62a_100000210202_100000085379 [1,1,0,0,0,0|1,1,0]=4 2374 B12R1.268 CCSc1nc(ccc1C=O)F 62a_100000210202_100009846357 [1,1,0,0,0,0|1,1,0]=4 2375 B12R1.268 CCSc1nc(ccc1C=O)F 62a_100009846357_100000210202 [1,1,0,0,0,0|1,1,0]=4 2376 B12R1.268 CNCc1cc(ccc1C=O)F 2230a_106832991635_100010132768 [1,1,0,0,0,0|2,0,0]=4 2377 B12R1.268 CNCc1cc(ccc1C=O)F 34a_100102657272_100010132768 [1,1,0,0,0,0|2,0,0]=4 2378 B12R1.268 CNCc1cc(ccc1C=O)F 7a_106832991635_100010132768 [1,1,0,0,0,0|2,0,0]=4 2379 B12R1.268 COCc1cc(ccc1C=O)F 34a_100138415774_100010132768 [1,1,0,0,0,0|2,0,0]=4 2380 B12R1.268 CSCc1cc(ccc1C=O)F 62a_100010132768_200000210301 [1,1,0,0,0,0|2,0,0]=4 2381 B12R1.268 CSCc1cc(ccc1C=O)F 62a_200000210301_100010132768 [1,1,0,0,0,0|2,0,0]=4 2382 B12R1.268 Cc1ccc(c(c1)SCF)C=O 62a_100011935181_100015361967 [1,1,0,0,0,0|1,1,0]=4 2383 B12R1.268 Cc1ccc(c(c1)SCF)C=O 62a_100015361967_100011935181 [1,1,0,0,0,0|1,1,0]=4 2384 B12R1.268 O=Cc1ccc(cc1SCF)Br 62a_100010146562_100015361967 [1,1,0,0,0,0|1,1,0]=4 2385 B12R1.268 O=Cc1ccc(cc1SCF)Br 62a_100015361967_100010146562 [1,1,0,0,0,0|1,1,0]=4 2386 B12R1.268 O=Cc1ccc(cc1SCF)F 62a_100000752949_100015361967 [1,1,0,0,0,0|1,1,0]=4 2387 B12R1.268 O=Cc1ccc(cc1SCF)F 62a_100015361967_100000752949 [1,1,0,0,0,0|1,1,0]=4 2388 B12R1.268 O=Cc1ccc(cc1SCF)O 62a_100011236494_100015361967 [1,1,0,0,0,0|1,1,0]=4 2389 B12R1.268 O=Cc1ccc(cc1SCF)O 62a_100015361967_100011236494 [1,1,0,0,0,0|1,1,0]=4 2390 B12R1.268 [13CH3]SCc1cc(ccc1C=O)F 62a_100010132768_200025704644 [1,1,0,0,0,0|2,0,0]=4 2391 B12R1.268 [13CH3]SCc1cc(ccc1C=O)F 62a_200025704644_100010132768 [1,1,0,0,0,0|2,0,0]=4 2392 B12R1.542 CC=Cc1cccc(c1C=O)C 271570a_100016259895_100000041122 [1,1,0,0,0,0|1,0,1]=4 2393 B12R1.542 CC=Cc1cccc(c1C=O)Cl 271570a_100016259895_100010147682 [1,1,0,0,0,0|1,0,1]=4 2394 B12R1.542 CC=Cc1cccc(c1C=O)F 271570a_100016259895_100000210083 [1,1,0,0,0,0|1,0,1]=4 2395 B12R1.542 CC=Cc1cccc(c1C=O)N 271570a_100016259895_100010232536 [1,1,0,0,0,0|1,0,1]=4 2396 B12R1.542 CC=Cc1cccc(c1C=O)O 271570a_100016259895_100009814793 [1,1,0,0,0,0|1,0,1]=4 2397 B12R1.542 CCNc1ccnc(c1C=O)F 27a_100015525214_100009877353 [1,1,0,0,0,0|2,0,0]=4 2398 B12R1.542 CCOc1cccc(c1C#N)Br 34a_100012180507_100000210202 [1,1,0,0,0,0|0,0,2]=4 2399 B12R1.542 CCOc1cccc(c1C#N)Br 7a_100012180507_100000210202 [1,1,0,0,0,0|0,0,2]=4 2400 B12R1.542 CCOc1cccc(c1C#N)C 34a_100000079363_100000210202 [1,1,0,0,0,0|0,0,2]=4 2401 B12R1.542 CCOc1cccc(c1C#N)C 7a_100000079363_100000210202 [1,1,0,0,0,0|0,0,2]=4 2402 B12R1.542 CCOc1cccc(c1C#N)Cl 34a_100000764475_100000210202 [1,1,0,0,0,0|0,0,2]=4 2403 B12R1.542 CCOc1cccc(c1C#N)Cl 7a_100000764475_100000210202 [1,1,0,0,0,0|0,0,2]=4 2404 B12R1.542 CCOc1cccc(c1C#N)F 34a_100000741147_100000210202 [1,1,0,0,0,0|0,0,2]=4 2405 B12R1.542 CCOc1cccc(c1C#N)F 7a_100000741147_100000210202 [1,1,0,0,0,0|0,0,2]=4 2406 B12R1.542 CCOc1cccc(c1CO)C 34a_200009874777_100000210202 [1,1,0,0,0,0|0,0,2]=4 2407 B12R1.542 CCOc1cccc(c1CO)C 7a_200009874777_100000210202 [1,1,0,0,0,0|0,0,2]=4 2408 B12R1.542 CCOc1cccc(c1NC)Br 34a_200103155331_200000210301 [1,1,0,0,0,0|2,0,0]=4 2409 B12R1.542 CCOc1cccc(c1NC)Cl 34a_100012284057_200000210301 [1,1,0,0,0,0|2,0,0]=4 2410 B12R1.542 CCOc1cccc(c1N[13CH3])Br 34a_200103155331_200025704644 [1,1,0,0,0,0|2,0,0]=4 2411 B12R1.542 CCOc1cccc(c1N[13CH3])Cl 34a_100012284057_200025704644 [1,1,0,0,0,0|2,0,0]=4 2412 B12R1.542 CCOc1cccc(c1OC)Br 34a_100010234590_100000210202 [1,1,0,0,0,0|2,0,0]=4 2413 B12R1.542 CCOc1cccc(c1OC)Cl 34a_200009886253_100000210202 [1,1,0,0,0,0|2,0,0]=4 2414 B12R1.542 CCOc1cccc(c1OC)Cl 7a_200009886253_100000210202 [1,1,0,0,0,0|2,0,0]=4 2415 B12R1.542 CCOc1cccc(c1SC)C 34a_200000099257_100000210202 [1,1,0,0,0,0|2,0,0]=4 2416 B12R1.542 CCOc1cccc(c1SC)C 7a_200000099257_100000210202 [1,1,0,0,0,0|2,0,0]=4 2417 B12R1.542 CCSc1cccc(c1C=O)C 62a_100000041122_100000210202 [1,1,0,0,0,0|0,1,0]=3 2418 B12R1.542 CCSc1cccc(c1C=O)C 62a_100000210202_100000041122 [1,1,0,0,0,0|0,1,0]=3 2419 B12R1.542 CCSc1cccc(c1C=O)Cl 62a_100000210202_100010147682 [1,1,0,0,0,0|0,1,0]=3 2420 B12R1.542 CCSc1cccc(c1C=O)Cl 62a_100010147682_100000210202 [1,1,0,0,0,0|0,1,0]=3 2421 B12R1.542 CCSc1cccc(c1C=O)F 62a_100000210083_100000210202 [1,1,0,0,0,0|0,1,0]=3 2422 B12R1.542 CCSc1cccc(c1C=O)F 62a_100000210202_100000210083 [1,1,0,0,0,0|0,1,0]=3 2423 B12R1.542 CCSc1cccc(c1C=O)N 62a_100010232536_100000210202 [1,1,0,0,0,0|0,1,0]=3 2424 B12R1.542 CCSc1cccc(c1C=O)O 62a_100000210202_100010193437 [1,1,0,0,0,0|0,1,0]=3 2425 B12R1.542 CCSc1cccc(c1CN)F 62a_100000210202_100012349121 [1,1,0,0,0,0|0,1,1]=4 2426 B12R1.542 CCSc1cccc(c1CN)F 62a_100012349121_100000210202 [1,1,0,0,0,0|0,1,1]=4 2427 B12R1.542 CCSc1cccc(c1NN)F 62a_100000210202_100016994982 [1,1,0,0,0,0|1,1,0]=4 2428 B12R1.542 CCSc1cccc(c1NN)F 62a_100016994982_100000210202 [1,1,0,0,0,0|1,1,0]=4 2429 B12R1.542 CCSc1ccnc(c1C=O)Cl 62a_100000047006_100000210202 [1,1,0,0,0,0|1,1,0]=4 2430 B12R1.542 CCSc1ccnc(c1C=O)Cl 62a_100000210202_100000047006 [1,1,0,0,0,0|1,1,0]=4 2431 B12R1.542 CCSc1ccnc(c1C=O)F 62a_100000210202_100009828249 [1,1,0,0,0,0|1,1,0]=4 2432 B12R1.542 CCSc1ccnc(c1C=O)F 62a_100009828249_100000210202 [1,1,0,0,0,0|1,1,0]=4 2433 B12R1.542 CCSc1ccnc(c1C=O)N 62a_100009843235_100000210202 [1,1,0,0,0,0|1,1,0]=4 2434 B12R1.542 CCSc1cncc(c1C=O)F 62a_100000210202_100010064882 [1,1,0,0,0,0|1,1,0]=4 2435 B12R1.542 CCSc1cncc(c1C=O)F 62a_100010064882_100000210202 [1,1,0,0,0,0|1,1,0]=4 2436 B12R1.542 CCSc1nccc(c1C=O)N 62a_100000050385_100000210202 [1,1,0,0,0,0|1,1,0]=4 2437 B12R1.542 CCSc1nccc(c1C=O)N 62a_100000210202_100000050385 [1,1,0,0,0,0|1,1,0]=4 2438 B12R1.542 CCSc1nccc(c1C=O)O 62a_200010729673_100000210202 [1,1,0,0,0,0|1,1,0]=4 2439 B12R1.542 Cc1cccc(c1C=O)SCF 62a_100000041122_100015361967 [1,1,0,0,0,0|1,1,0]=4 2440 B12R1.542 Cc1cccc(c1C=O)SCF 62a_100015361967_100000041122 [1,1,0,0,0,0|1,1,0]=4 2441 B12R1.542 Nc1cccc(c1C=O)SCF 62a_100010232536_100015361967 [1,1,0,0,0,0|1,1,0]=4 2442 B12R1.542 O=Cc1c(cccc1SCF)Cl 62a_100010147682_100015361967 [1,1,0,0,0,0|1,1,0]=4 2443 B12R1.542 O=Cc1c(cccc1SCF)Cl 62a_100015361967_100010147682 [1,1,0,0,0,0|1,1,0]=4 2444 B12R1.542 O=Cc1c(cccc1SCF)F 62a_100000210083_100015361967 [1,1,0,0,0,0|1,1,0]=4 2445 B12R1.542 O=Cc1c(cccc1SCF)F 62a_100015361967_100000210083 [1,1,0,0,0,0|1,1,0]=4 2446 B12R1.542 O=Cc1c(cccc1SCF)O 62a_100015361967_100010193437 [1,1,0,0,0,0|1,1,0]=4 2447 B12R1.1112 C=Cc1cccc(c1OCC)F 271570a_100011290941_100010232518 [1,1,0,0,0,0|1,0,0]=3 2448 B12R1.1112 CC=Cc1c(cccc1C=O)F 271570a_100016259895_100011998484 [1,1,0,0,0,0|1,0,1]=4 2449 B12R1.1112 CC=Cc1c(cccc1C=O)O 271570a_100016259895_100009816417 [1,1,0,0,0,0|1,0,1]=4 2450 B12R1.1112 CCOc1c(cccc1C#N)Br 34a_100009817103_100000210202 [1,1,0,0,0,0|0,0,2]=4 2451 B12R1.1112 CCOc1c(cccc1C#N)C 34a_100011659161_100000210202 [1,1,0,0,0,0|0,0,2]=4 2452 B12R1.1112 CCOc1c(cccc1C#N)C 7a_100011659161_100000210202 [1,1,0,0,0,0|0,0,2]=4 2453 B12R1.1112 CCOc1c(cccc1C#N)Cl 34a_100009866432_100000210202 [1,1,0,0,0,0|0,0,2]=4 2454 B12R1.1112 CCOc1c(cccc1C#N)Cl 7a_100009866432_100000210202 [1,1,0,0,0,0|0,0,2]=4 2455 B12R1.1112 CCOc1c(cccc1C#N)F 34a_100000117915_100000210202 [1,1,0,0,0,0|0,0,2]=4 2456 B12R1.1112 CCOc1c(cccc1C#N)F 7a_100000117915_100000210202 [1,1,0,0,0,0|0,0,2]=4 2457 B12R1.1112 CCOc1c(cccc1CC)Br 34a_200010001580_100000210202 [1,1,0,0,0,0|1,0,1]=4 2458 B12R1.1112 CCOc1c(cccc1CC)Br 7a_200010001580_100000210202 [1,1,0,0,0,0|1,0,1]=4 2459 B12R1.1112 CCOc1c(cccc1CC)C 34a_100000034007_100000210202 [1,1,0,0,0,0|1,0,1]=4 2460 B12R1.1112 CCOc1c(cccc1CC)C 7a_100000034007_100000210202 [1,1,0,0,0,0|1,0,1]=4 2461 B12R1.1112 CCOc1c(cccc1CN)C 34a_100020639391_100000210202 [1,1,0,0,0,0|0,0,1]=3 2462 B12R1.1112 CCOc1c(cccc1CO)F 34a_100011997349_100000210202 [1,1,0,0,0,0|0,0,2]=4 2463 B12R1.1112 CCOc1c(cccc1CO)F 7a_100011997349_100000210202 [1,1,0,0,0,0|0,0,2]=4 2464 B12R1.1112 CCOc1c(cccc1NC)Cl 2230a_100000744310_200000210301 [1,1,0,0,0,0|2,0,0]=4 2465 B12R1.1112 CCOc1c(cccc1NC)Cl 34a_100000744310_200000210301 [1,1,0,0,0,0|2,0,0]=4 2466 B12R1.1112 CCOc1c(cccc1N[13CH3])Cl 2230a_100000744310_200025704644 [1,1,0,0,0,0|2,0,0]=4 2467 B12R1.1112 CCOc1c(cccc1N[13CH3])Cl 34a_100000744310_200025704644 [1,1,0,0,0,0|2,0,0]=4 2468 B12R1.1112 CCOc1c(cccc1OC)Br 34a_100000686866_100000210202 [1,1,0,0,0,0|2,0,0]=4 2469 B12R1.1112 CCOc1c(cccc1OC)C 34a_100011219253_100000210202 [1,1,0,0,0,0|2,0,0]=4 2470 B12R1.1112 CCOc1c(cccc1OC)C 7a_100011219253_100000210202 [1,1,0,0,0,0|2,0,0]=4 2471 B12R1.1112 CCOc1c(cccc1OC)Cl 34a_100009851661_100000210202 [1,1,0,0,0,0|2,0,0]=4 2472 B12R1.1112 CCOc1c(cccc1OC)Cl 7a_100009851661_100000210202 [1,1,0,0,0,0|2,0,0]=4 2473 B12R1.1112 CCOc1c(cccc1OC)F 34a_100000036725_100000210202 [1,1,0,0,0,0|2,0,0]=4 2474 B12R1.1112 CCOc1c(cccc1OC)F 7a_100000036725_100000210202 [1,1,0,0,0,0|2,0,0]=4 2475 B12R1.1112 CCOc1c(cccc1OC)N 34a_100000123586_100000210202 [1,1,0,0,0,0|2,0,0]=4 2476 B12R1.1112 CCOc1c(cccc1SC)F 62a_100010232518_200000210301 [1,1,0,0,0,0|2,0,0]=4 2477 B12R1.1112 CCOc1c(cccc1SC)F 62a_200000210301_100010232518 [1,1,0,0,0,0|2,0,0]=4 2478 B12R1.1112 CCOc1c(cccc1S[13CH3])F 62a_100010232518_200025704644 [1,1,0,0,0,0|2,0,0]=4 2479 B12R1.1112 CCOc1c(cccc1S[13CH3])F 62a_200025704644_100010232518 [1,1,0,0,0,0|2,0,0]=4 2480 B12R1.1112 CCSc1c(cccc1C=O)C 62a_100000210202_100012186367 [1,1,0,0,0,0|0,1,0]=3 2481 B12R1.1112 CCSc1c(cccc1C=O)C 62a_100012186367_100000210202 [1,1,0,0,0,0|0,1,0]=3 2482 B12R1.1112 CCSc1c(cccc1C=O)F 62a_100000210202_100011934749 [1,1,0,0,0,0|0,1,0]=3 2483 B12R1.1112 CCSc1c(cccc1C=O)F 62a_100011934749_100000210202 [1,1,0,0,0,0|0,1,0]=3 2484 B12R1.1112 CCSc1c(cccc1C=O)O 62a_100000210202_100009816417 [1,1,0,0,0,0|0,1,0]=3 2485 B12R1.1112 CCSc1c(cccc1C=O)O 62a_100009816417_100000210202 [1,1,0,0,0,0|0,1,0]=3 2486 B12R1.1112 CCSc1c(cccc1CN)F 62a_100000210202_100020638964 [1,1,0,0,0,0|0,1,1]=4 2487 B12R1.1112 CCSc1c(cccc1CN)F 62a_100020638964_100000210202 [1,1,0,0,0,0|0,1,1]=4 2488 B12R1.1112 CCSc1c(ccnc1F)C=O 62a_100000210202_100009856171 [1,1,0,0,0,0|1,1,0]=4 2489 B12R1.1112 CCSc1c(ccnc1F)C=O 62a_100009856171_100000210202 [1,1,0,0,0,0|1,1,0]=4 2490 B12R1.1112 CNCc1c(cccc1C=O)F 2230a_106832991635_100010132767 [1,1,0,0,0,0|2,0,0]=4 2491 B12R1.1112 CNCc1c(cccc1C=O)F 34a_100102657272_100010132767 [1,1,0,0,0,0|2,0,0]=4 2492 B12R1.1112 CNCc1c(cccc1C=O)F 7a_106832991635_100010132767 [1,1,0,0,0,0|2,0,0]=4 2493 B12R1.1112 COCc1c(cccc1C=O)F 34a_100138415774_100010132767 [1,1,0,0,0,0|2,0,0]=4 2494 B12R1.1112 CSCc1c(cccc1C=O)F 62a_100010132767_200000210301 [1,1,0,0,0,0|2,0,0]=4 2495 B12R1.1112 CSCc1c(cccc1C=O)F 62a_200000210301_100010132767 [1,1,0,0,0,0|2,0,0]=4 2496 B12R1.1112 Cc1cccc(c1OCF)CN 34a_100020639391_100015361967 [1,1,0,0,0,0|1,0,1]=4 2497 B12R1.1112 Cc1cccc(c1SCF)C=O 62a_100012186367_100015361967 [1,1,0,0,0,0|1,1,0]=4 2498 B12R1.1112 Cc1cccc(c1SCF)C=O 62a_100015361967_100012186367 [1,1,0,0,0,0|1,1,0]=4 2499 B12R1.1112 O=Cc1cccc(c1SCF)F 62a_100011934749_100015361967 [1,1,0,0,0,0|1,1,0]=4 2500 B12R1.1112 O=Cc1cccc(c1SCF)F 62a_100015361967_100011934749 [1,1,0,0,0,0|1,1,0]=4 2501 B12R1.1112 O=Cc1cccc(c1SCF)O 62a_100009816417_100015361967 [1,1,0,0,0,0|1,1,0]=4 2502 B12R1.1112 O=Cc1cccc(c1SCF)O 62a_100015361967_100009816417 [1,1,0,0,0,0|1,1,0]=4 2503 B12R1.1112 [13CH3]SCc1c(cccc1C=O)F 62a_100010132767_200025704644 [1,1,0,0,0,0|2,0,0]=4 2504 B12R1.1112 [13CH3]SCc1c(cccc1C=O)F 62a_200025704644_100010132767 [1,1,0,0,0,0|2,0,0]=4 2505 B12R1.46 C=C(C)c1cc(ccc1OC)Br 271570a_100000694244_100012351588 [1,1,0,0,0,0|2,0,0]=4 2506 B12R1.46 C=C(C)c1cc(ccc1OC)C 271570a_100000694244_100000186399 [1,1,0,0,0,0|2,0,0]=4 2507 B12R1.46 C=C(C)c1cc(ccc1OC)Cl 271570a_100000694244_100011215930 [1,1,0,0,0,0|2,0,0]=4 2508 B12R1.46 C=C(C)c1cc(ccc1OC)F 271570a_100000694244_100000171694 [1,1,0,0,0,0|2,0,0]=4 2509 B12R1.46 C=C(C)c1cc(ccc1OC)N 271570a_100000694244_100000187427 [1,1,0,0,0,0|2,0,0]=4 2510 B12R1.46 C=C(C)c1cc(ccc1OC)O 271570a_100000694244_100010084122 [1,1,0,0,0,0|2,0,0]=4 2511 B12R1.46 C=Cc1ccc(cc1C(=O)N)Br 271570a_100011290941_200000162314 [1,1,0,0,0,0|0,0,2]=4 2512 B12R1.46 C=Cc1ccc(cc1C(=O)N)C 271570a_100011290941_200012349609 [1,1,0,0,0,0|0,0,2]=4 2513 B12R1.46 C=Cc1ccc(cc1C(=O)N)F 271570a_100011290941_100000206434 [1,1,0,0,0,0|0,0,2]=4 2514 B12R1.46 C=Cc1ccc(cc1C(=O)N)N 271570a_100011290941_100015186447 [1,1,0,0,0,0|0,0,2]=4 2515 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [1,1,0,0,0,0|1,0,0]=3 2516 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [1,1,0,0,0,0|1,0,0]=3 2517 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [1,1,0,0,0,0|1,0,0]=3 2518 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [1,1,0,0,0,0|1,0,0]=3 2519 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [1,1,0,0,0,0|1,0,0]=3 2520 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [1,1,0,0,0,0|1,0,0]=3 2521 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [1,1,0,0,0,0|1,0,0]=3 2522 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [1,1,0,0,0,0|1,0,0]=3 2523 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [1,1,0,0,0,0|1,0,0]=3 2524 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])Br 62a_100012349576_200025704644 [1,1,0,0,0,0|1,1,0]=4 2525 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_100012361225_200025704644 [1,1,0,0,0,0|1,1,0]=4 2526 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012361225 [1,1,0,0,0,0|1,1,0]=4 2527 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_100012353695_200025704644 [1,1,0,0,0,0|1,1,0]=4 2528 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100010200798 [1,1,0,0,0,0|1,1,0]=4 2529 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])N 62a_100012349454_200025704644 [1,1,0,0,0,0|1,1,0]=4 2530 B12R1.46 CCc1ccc(cc1C(=O)C)Br 1458a_100012343961_200000210301 [1,1,0,0,0,0|1,0,0]=3 2531 B12R1.46 CCc1ccc(cc1C(=O)[13CH3])Br 1458a_100012343961_200025704644 [1,1,0,0,0,0|1,0,0]=3 2532 B12R1.46 CNc1ccc(cc1C(=O)N)Br 27a_100102657272_200000162314 [1,1,0,0,0,0|1,0,0]=3 2533 B12R1.46 CNc1ccc(cc1C(=O)N)Br 34a_100000740421_200000210301 [1,1,0,0,0,0|1,0,0]=3 2534 B12R1.46 CNc1ccc(cc1C(=O)N)Br 7a_100000740421_200000210301 [1,1,0,0,0,0|1,0,0]=3 2535 B12R1.46 CNc1ccc(cc1C(=O)N)C 34a_100011692829_200000210301 [1,1,0,0,0,0|1,0,0]=3 2536 B12R1.46 CNc1ccc(cc1C(=O)N)Cl 34a_100000743835_200000210301 [1,1,0,0,0,0|1,0,0]=3 2537 B12R1.46 CNc1ccc(cc1C(=O)N)Cl 7a_100000743835_200000210301 [1,1,0,0,0,0|1,0,0]=3 2538 B12R1.46 CNc1ccc(cc1C(=O)N)F 34a_100000741173_200000210301 [1,1,0,0,0,0|1,0,0]=3 2539 B12R1.46 CNc1ccc(cc1C(=O)N)F 7a_100000741173_200000210301 [1,1,0,0,0,0|1,0,0]=3 2540 B12R1.46 CNc1ccc(cc1C(=O)N)O 271570a_203496583355_200010114593 [1,1,0,0,0,0|1,0,0]=3 2541 B12R1.46 CNc1ncc(cc1C(=O)N)F 27a_100102657272_100012183597 [1,1,0,0,0,0|2,0,0]=4 2542 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [1,1,0,0,0,0|1,0,0]=3 2543 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [1,1,0,0,0,0|1,0,0]=3 2544 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [1,1,0,0,0,0|1,0,0]=3 2545 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [1,1,0,0,0,0|1,0,0]=3 2546 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [1,1,0,0,0,0|1,0,0]=3 2547 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [1,1,0,0,0,0|1,0,0]=3 2548 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [1,1,0,0,0,0|1,0,0]=3 2549 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [1,1,0,0,0,0|1,0,0]=3 2550 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [1,1,0,0,0,0|1,0,0]=3 2551 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [1,1,0,0,0,0|1,0,0]=3 2552 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [1,1,0,0,0,0|1,0,0]=3 2553 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [1,1,0,0,0,0|1,0,0]=3 2554 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [1,1,0,0,0,0|1,0,0]=3 2555 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [1,1,0,0,0,0|1,0,0]=3 2556 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [1,1,0,0,0,0|1,0,0]=3 2557 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [1,1,0,0,0,0|1,0,0]=3 2558 B12R1.46 COc1ccc(cc1C(=O)N)Br 34a_100000192807_200000210301 [1,1,0,0,0,0|0,0,0]=2 2559 B12R1.46 COc1ccc(cc1C(=O)N)Br 7a_100000192807_200000210301 [1,1,0,0,0,0|0,0,0]=2 2560 B12R1.46 COc1ccc(cc1C(=O)N)C 34a_200000192840_200000210301 [1,1,0,0,0,0|0,0,0]=2 2561 B12R1.46 COc1ccc(cc1C(=O)N)C 7a_200000192840_200000210301 [1,1,0,0,0,0|0,0,0]=2 2562 B12R1.46 COc1ccc(cc1C(=O)N)Cl 34a_100000185026_200000210301 [1,1,0,0,0,0|0,0,0]=2 2563 B12R1.46 COc1ccc(cc1C(=O)N)Cl 7a_100000185026_200000210301 [1,1,0,0,0,0|0,0,0]=2 2564 B12R1.46 COc1ccc(cc1C(=O)N)F 34a_100012186459_200000210301 [1,1,0,0,0,0|0,0,0]=2 2565 B12R1.46 COc1ccc(cc1C(=O)N)F 7a_100012186459_200000210301 [1,1,0,0,0,0|0,0,0]=2 2566 B12R1.46 COc1ccc(cc1C(=O)N)I 34a_100000192813_200000210301 [1,1,0,0,0,0|0,0,0]=2 2567 B12R1.46 COc1ccc(cc1C(=O)N)I 7a_100000192813_200000210301 [1,1,0,0,0,0|0,0,0]=2 2568 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [1,1,0,0,0,0|1,0,0]=3 2569 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [1,1,0,0,0,0|1,0,0]=3 2570 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [1,1,0,0,0,0|1,0,0]=3 2571 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [1,1,0,0,0,0|1,0,0]=3 2572 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [1,1,0,0,0,0|1,0,0]=3 2573 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [1,1,0,0,0,0|1,0,0]=3 2574 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_200000210301 [1,1,0,0,0,0|1,0,1]=4 2575 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_200000210301 [1,1,0,0,0,0|1,0,1]=4 2576 B12R1.46 COc1ccc(cc1[C@H](C)N)F 34a_100160469477_200000210301 [1,1,0,0,0,0|1,0,1]=4 2577 B12R1.46 COc1ccc(cc1[C@H](C)N)F 7a_100160469477_200000210301 [1,1,0,0,0,0|1,0,1]=4 2578 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_200000210301 [1,1,0,0,0,0|2,0,0]=4 2579 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_200000210301 [1,1,0,0,0,0|2,0,0]=4 2580 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 34a_100000195567_200000210301 [1,1,0,0,0,0|2,0,0]=4 2581 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 7a_100000195567_200000210301 [1,1,0,0,0,0|2,0,0]=4 2582 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_200000210301 [1,1,0,0,0,0|2,0,0]=4 2583 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_200000210301 [1,1,0,0,0,0|2,0,0]=4 2584 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_200000210301 [1,1,0,0,0,0|2,0,0]=4 2585 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_200000210301 [1,1,0,0,0,0|2,0,0]=4 2586 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_200000210301 [1,1,0,0,0,0|2,0,0]=4 2587 B12R1.46 COc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_200000210301 [1,1,0,0,0,0|2,0,0]=4 2588 B12R1.46 COc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_200000210301 [1,1,0,0,0,0|2,0,0]=4 2589 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [1,1,0,0,0,0|2,0,0]=4 2590 B12R1.46 CSc1ccc(cc1C(=O)C)Br 62a_100012349576_200000210301 [1,1,0,0,0,0|1,1,0]=4 2591 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_100012361225_200000210301 [1,1,0,0,0,0|1,1,0]=4 2592 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_200000210301_100012361225 [1,1,0,0,0,0|1,1,0]=4 2593 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_100012353695_200000210301 [1,1,0,0,0,0|1,1,0]=4 2594 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_200000210301_100010200798 [1,1,0,0,0,0|1,1,0]=4 2595 B12R1.46 CSc1ccc(cc1C(=O)C)N 62a_100012349454_200000210301 [1,1,0,0,0,0|1,1,0]=4 2596 B12R1.46 CSc1ccc(cc1C(=O)N)Br 62a_200000162314_200000210301 [1,1,0,0,0,0|0,1,0]=3 2597 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200000210301_200012349609 [1,1,0,0,0,0|0,1,0]=3 2598 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200012349609_200000210301 [1,1,0,0,0,0|0,1,0]=3 2599 B12R1.46 CSc1ccc(cc1C(=O)N)F 62a_100000206434_200000210301 [1,1,0,0,0,0|0,1,0]=3 2600 B12R1.46 CSc1ccc(cc1C(=O)N)F 62a_200000210301_100000206434 [1,1,0,0,0,0|0,1,0]=3 2601 B12R1.46 CSc1ccc(cc1C(=O)N)N 62a_100015186447_200000210301 [1,1,0,0,0,0|0,1,0]=3 2602 B12R1.46 CSc1ccc(cc1C(=O)O)Br 62a_100011072988_200000210301 [1,1,0,0,0,0|1,1,0]=4 2603 B12R1.46 CSc1ncc(cc1C(=O)N)F 62a_100012183597_200000210301 [1,1,0,0,0,0|1,1,0]=4 2604 B12R1.46 CSc1ncc(cc1C(=O)N)F 62a_200000210301_100012183597 [1,1,0,0,0,0|1,1,0]=4 2605 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 34a_100011853016_200025704644 [1,1,0,0,0,0|1,0,1]=4 2606 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 7a_100011853016_200025704644 [1,1,0,0,0,0|1,0,1]=4 2607 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 34a_100160469477_200025704644 [1,1,0,0,0,0|1,0,1]=4 2608 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 7a_100160469477_200025704644 [1,1,0,0,0,0|1,0,1]=4 2609 B12R1.46 Cc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100011692829_200025704644 [1,1,0,0,0,0|1,0,0]=3 2610 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 34a_200000192840_200025704644 [1,1,0,0,0,0|0,0,0]=2 2611 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 7a_200000192840_200025704644 [1,1,0,0,0,0|0,0,0]=2 2612 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200012349609_200025704644 [1,1,0,0,0,0|0,1,0]=3 2613 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200025704644_200012349609 [1,1,0,0,0,0|0,1,0]=3 2614 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000195567_200025704644 [1,1,0,0,0,0|2,0,0]=4 2615 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000195567_200025704644 [1,1,0,0,0,0|2,0,0]=4 2616 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Br 34a_100000740421_200025704644 [1,1,0,0,0,0|1,0,0]=3 2617 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Br 7a_100000740421_200025704644 [1,1,0,0,0,0|1,0,0]=3 2618 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Cl 34a_100000743835_200025704644 [1,1,0,0,0,0|1,0,0]=3 2619 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Cl 7a_100000743835_200025704644 [1,1,0,0,0,0|1,0,0]=3 2620 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)F 34a_100000741173_200025704644 [1,1,0,0,0,0|1,0,0]=3 2621 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)F 7a_100000741173_200025704644 [1,1,0,0,0,0|1,0,0]=3 2622 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 34a_100000192807_200025704644 [1,1,0,0,0,0|0,0,0]=2 2623 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 7a_100000192807_200025704644 [1,1,0,0,0,0|0,0,0]=2 2624 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 34a_100000185026_200025704644 [1,1,0,0,0,0|0,0,0]=2 2625 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 7a_100000185026_200025704644 [1,1,0,0,0,0|0,0,0]=2 2626 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 34a_100012186459_200025704644 [1,1,0,0,0,0|0,0,0]=2 2627 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 7a_100012186459_200025704644 [1,1,0,0,0,0|0,0,0]=2 2628 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 34a_100000192813_200025704644 [1,1,0,0,0,0|0,0,0]=2 2629 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 7a_100000192813_200025704644 [1,1,0,0,0,0|0,0,0]=2 2630 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_200025704644 [1,1,0,0,0,0|2,0,0]=4 2631 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_200025704644 [1,1,0,0,0,0|2,0,0]=4 2632 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_200025704644 [1,1,0,0,0,0|2,0,0]=4 2633 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_200025704644 [1,1,0,0,0,0|2,0,0]=4 2634 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_200025704644 [1,1,0,0,0,0|2,0,0]=4 2635 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_200025704644 [1,1,0,0,0,0|2,0,0]=4 2636 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_200025704644 [1,1,0,0,0,0|2,0,0]=4 2637 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_200025704644 [1,1,0,0,0,0|2,0,0]=4 2638 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_200025704644 [1,1,0,0,0,0|2,0,0]=4 2639 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)Br 62a_200000162314_200025704644 [1,1,0,0,0,0|0,1,0]=3 2640 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)F 62a_100000206434_200025704644 [1,1,0,0,0,0|0,1,0]=3 2641 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)F 62a_200025704644_100000206434 [1,1,0,0,0,0|0,1,0]=3 2642 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)N 62a_100015186447_200025704644 [1,1,0,0,0,0|0,1,0]=3 2643 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)O)Br 62a_100011072988_200025704644 [1,1,0,0,0,0|1,1,0]=4 2644 B12R1.46 [13CH3]Sc1ncc(cc1C(=O)N)F 62a_100012183597_200025704644 [1,1,0,0,0,0|1,1,0]=4 2645 B12R1.46 [13CH3]Sc1ncc(cc1C(=O)N)F 62a_200025704644_100012183597 [1,1,0,0,0,0|1,1,0]=4 2646 B12R1.57 C=C(C)c1ccc(cc1CC)Br 271570a_100000694244_100011216195 [1,1,0,0,0,0|2,0,0]=4 2647 B12R1.57 C=C(C)c1ccc(cc1CC)N 271570a_100000694244_100010109747 [1,1,0,0,0,0|2,0,0]=4 2648 B12R1.57 C=C(C)c1ccc(cc1OC)Br 271570a_100000694244_100010245111 [1,1,0,0,0,0|2,0,0]=4 2649 B12R1.57 C=C(C)c1ccc(cc1OC)C 271570a_100000694244_100010200004 [1,1,0,0,0,0|2,0,0]=4 2650 B12R1.57 C=C(C)c1ccc(cc1OC)Cl 271570a_100000694244_100000050115 [1,1,0,0,0,0|2,0,0]=4 2651 B12R1.57 C=C(C)c1ccc(cc1OC)F 271570a_100000694244_100000757151 [1,1,0,0,0,0|2,0,0]=4 2652 B12R1.57 C=C(C)c1ccc(cc1OC)N 271570a_100000694244_100000765947 [1,1,0,0,0,0|2,0,0]=4 2653 B12R1.57 C=C(C)c1ccc(cc1OC)O 271570a_100000694244_100011827694 [1,1,0,0,0,0|2,0,0]=4 2654 B12R1.57 C=Cc1cc(ccc1C(=O)N)Br 271570a_100011290941_100009815748 [1,1,0,0,0,0|0,0,2]=4 2655 B12R1.57 C=Cc1cc(ccc1C(=O)N)F 271570a_100011290941_100000206404 [1,1,0,0,0,0|0,0,2]=4 2656 B12R1.57 CC(=O)c1ccc(cc1CO)Br 1458a_100010253900_200000210301 [1,1,0,0,0,0|2,0,0]=4 2657 B12R1.57 CC(=O)c1ccc(cc1CO)F 1458a_100013035055_200000210301 [1,1,0,0,0,0|2,0,0]=4 2658 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [1,1,0,0,0,0|1,0,0]=3 2659 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [1,1,0,0,0,0|1,0,0]=3 2660 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [1,1,0,0,0,0|1,0,0]=3 2661 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [1,1,0,0,0,0|1,0,0]=3 2662 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [1,1,0,0,0,0|1,0,0]=3 2663 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [1,1,0,0,0,0|1,0,0]=3 2664 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_100012353930_200025704644 [1,1,0,0,0,0|1,1,0]=4 2665 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012353930 [1,1,0,0,0,0|1,1,0]=4 2666 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])F 62a_100000686192_200025704644 [1,1,0,0,0,0|1,1,0]=4 2667 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])O 62a_100012340537_200025704644 [1,1,0,0,0,0|1,1,0]=4 2668 B12R1.57 CCc1cc(ccc1C(=O)C)Br 1458a_200012349896_200000210301 [1,1,0,0,0,0|1,0,0]=3 2669 B12R1.57 CCc1cc(ccc1C(=O)[13CH3])Br 1458a_200012349896_200025704644 [1,1,0,0,0,0|1,0,0]=3 2670 B12R1.57 CNc1cc(ccc1C(=O)C)F 27a_100102657272_100000686192 [1,1,0,0,0,0|2,0,0]=4 2671 B12R1.57 CNc1cc(ccc1C(=O)N)Br 27a_100102657272_100009815748 [1,1,0,0,0,0|1,0,0]=3 2672 B12R1.57 CNc1cc(ccc1C(=O)N)Br 7a_100012349972_200000210301 [1,1,0,0,0,0|1,0,0]=3 2673 B12R1.57 CNc1cc(ccc1C(=O)N)C 34a_100011219537_200000210301 [1,1,0,0,0,0|1,0,0]=3 2674 B12R1.57 CNc1cc(ccc1C(=O)N)C 7a_100011219537_200000210301 [1,1,0,0,0,0|1,0,0]=3 2675 B12R1.57 CNc1cc(ccc1C(=O)N)Cl 34a_100000738103_200000210301 [1,1,0,0,0,0|1,0,0]=3 2676 B12R1.57 CNc1cc(ccc1C(=O)N)Cl 7a_100000738103_200000210301 [1,1,0,0,0,0|1,0,0]=3 2677 B12R1.57 CNc1cc(ccc1C(=O)N)F 27a_100102657272_100000206404 [1,1,0,0,0,0|1,0,0]=3 2678 B12R1.57 CNc1cc(ccc1C(=O)N)F 34a_100011298637_200000210301 [1,1,0,0,0,0|1,0,0]=3 2679 B12R1.57 CNc1nc(ccc1C(=O)N)C 27a_100102657272_100000041523 [1,1,0,0,0,0|2,0,0]=4 2680 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [1,1,0,0,0,0|1,0,0]=3 2681 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [1,1,0,0,0,0|1,0,0]=3 2682 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [1,1,0,0,0,0|1,0,0]=3 2683 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [1,1,0,0,0,0|1,0,0]=3 2684 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [1,1,0,0,0,0|1,0,0]=3 2685 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [1,1,0,0,0,0|1,0,0]=3 2686 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [1,1,0,0,0,0|1,0,0]=3 2687 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [1,1,0,0,0,0|1,0,0]=3 2688 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [1,1,0,0,0,0|1,0,0]=3 2689 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [1,1,0,0,0,0|1,0,0]=3 2690 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [1,1,0,0,0,0|1,0,0]=3 2691 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [1,1,0,0,0,0|1,0,0]=3 2692 B12R1.57 COc1cc(ccc1C(=O)N)Br 34a_100011550861_200000210301 [1,1,0,0,0,0|0,0,0]=2 2693 B12R1.57 COc1cc(ccc1C(=O)N)Br 7a_100011550861_200000210301 [1,1,0,0,0,0|0,0,0]=2 2694 B12R1.57 COc1cc(ccc1C(=O)N)C 34a_100000192831_200000210301 [1,1,0,0,0,0|0,0,0]=2 2695 B12R1.57 COc1cc(ccc1C(=O)N)C 7a_100000192831_200000210301 [1,1,0,0,0,0|0,0,0]=2 2696 B12R1.57 COc1cc(ccc1C(=O)N)Cl 34a_100000192836_200000210301 [1,1,0,0,0,0|0,0,0]=2 2697 B12R1.57 COc1cc(ccc1C(=O)N)Cl 7a_100000192836_200000210301 [1,1,0,0,0,0|0,0,0]=2 2698 B12R1.57 COc1cc(ccc1C(=O)N)N 34a_100000223280_200000210301 [1,1,0,0,0,0|0,0,0]=2 2699 B12R1.57 COc1cc(ccc1C(=O)N)N 7a_100000223280_200000210301 [1,1,0,0,0,0|0,0,0]=2 2700 B12R1.57 COc1cc(ccc1C(=O)N)O 271570a_203496583355_100000748320 [1,1,0,0,0,0|0,0,0]=2 2701 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [1,1,0,0,0,0|1,0,0]=3 2702 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [1,1,0,0,0,0|1,0,0]=3 2703 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [1,1,0,0,0,0|1,0,0]=3 2704 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [1,1,0,0,0,0|1,0,0]=3 2705 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [1,1,0,0,0,0|1,0,0]=3 2706 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_200000210301 [1,1,0,0,0,0|2,0,0]=4 2707 B12R1.57 COc1cc(ccc1[N+](=O)[O-])C 34a_100000195450_200000210301 [1,1,0,0,0,0|2,0,0]=4 2708 B12R1.57 COc1cc(ccc1[N+](=O)[O-])C 7a_100000195450_200000210301 [1,1,0,0,0,0|2,0,0]=4 2709 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_200000210301 [1,1,0,0,0,0|2,0,0]=4 2710 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_200000210301 [1,1,0,0,0,0|2,0,0]=4 2711 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_200000210301 [1,1,0,0,0,0|2,0,0]=4 2712 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_200000210301 [1,1,0,0,0,0|2,0,0]=4 2713 B12R1.57 COc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_200000210301 [1,1,0,0,0,0|2,0,0]=4 2714 B12R1.57 COc1cc(cnc1C(=O)C)O 271570a_203496583355_100010137934 [1,1,0,0,0,0|2,0,0]=4 2715 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_100012353930_200000210301 [1,1,0,0,0,0|1,1,0]=4 2716 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_200000210301_100012353930 [1,1,0,0,0,0|1,1,0]=4 2717 B12R1.57 CSc1cc(ccc1C(=O)C)F 62a_100000686192_200000210301 [1,1,0,0,0,0|1,1,0]=4 2718 B12R1.57 CSc1cc(ccc1C(=O)C)O 62a_100012340537_200000210301 [1,1,0,0,0,0|1,1,0]=4 2719 B12R1.57 CSc1cc(ccc1C(=O)N)Br 62a_100009815748_200000210301 [1,1,0,0,0,0|0,1,0]=3 2720 B12R1.57 CSc1cc(ccc1C(=O)N)F 62a_100000206404_200000210301 [1,1,0,0,0,0|0,1,0]=3 2721 B12R1.57 CSc1cc(ccc1C(=O)N)F 62a_200000210301_100000206404 [1,1,0,0,0,0|0,1,0]=3 2722 B12R1.57 CSc1nc(ccc1C(=O)N)C 62a_100000041523_200000210301 [1,1,0,0,0,0|1,1,0]=4 2723 B12R1.57 CSc1nc(ccc1C(=O)N)C 62a_200000210301_100000041523 [1,1,0,0,0,0|1,1,0]=4 2724 B12R1.57 Cc1ccc(c(c1)N[13CH3])C(=O)N 34a_100011219537_200025704644 [1,1,0,0,0,0|1,0,0]=3 2725 B12R1.57 Cc1ccc(c(c1)N[13CH3])C(=O)N 7a_100011219537_200025704644 [1,1,0,0,0,0|1,0,0]=3 2726 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 34a_100000192831_200025704644 [1,1,0,0,0,0|0,0,0]=2 2727 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 7a_100000192831_200025704644 [1,1,0,0,0,0|0,0,0]=2 2728 B12R1.57 Cc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 34a_100000195450_200025704644 [1,1,0,0,0,0|2,0,0]=4 2729 B12R1.57 Cc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 7a_100000195450_200025704644 [1,1,0,0,0,0|2,0,0]=4 2730 B12R1.57 Cc1ccc(c(n1)S[13CH3])C(=O)N 62a_100000041523_200025704644 [1,1,0,0,0,0|1,1,0]=4 2731 B12R1.57 Cc1ccc(c(n1)S[13CH3])C(=O)N 62a_200025704644_100000041523 [1,1,0,0,0,0|1,1,0]=4 2732 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)Br 1458a_100010253900_200025704644 [1,1,0,0,0,0|2,0,0]=4 2733 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)F 1458a_100013035055_200025704644 [1,1,0,0,0,0|2,0,0]=4 2734 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Br 7a_100012349972_200025704644 [1,1,0,0,0,0|1,0,0]=3 2735 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Cl 34a_100000738103_200025704644 [1,1,0,0,0,0|1,0,0]=3 2736 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Cl 7a_100000738103_200025704644 [1,1,0,0,0,0|1,0,0]=3 2737 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)F 34a_100011298637_200025704644 [1,1,0,0,0,0|1,0,0]=3 2738 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 34a_100011550861_200025704644 [1,1,0,0,0,0|0,0,0]=2 2739 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 7a_100011550861_200025704644 [1,1,0,0,0,0|0,0,0]=2 2740 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 34a_100000192836_200025704644 [1,1,0,0,0,0|0,0,0]=2 2741 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 7a_100000192836_200025704644 [1,1,0,0,0,0|0,0,0]=2 2742 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 34a_100000223280_200025704644 [1,1,0,0,0,0|0,0,0]=2 2743 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 7a_100000223280_200025704644 [1,1,0,0,0,0|0,0,0]=2 2744 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_200025704644 [1,1,0,0,0,0|2,0,0]=4 2745 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_200025704644 [1,1,0,0,0,0|2,0,0]=4 2746 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_200025704644 [1,1,0,0,0,0|2,0,0]=4 2747 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_200025704644 [1,1,0,0,0,0|2,0,0]=4 2748 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_200025704644 [1,1,0,0,0,0|2,0,0]=4 2749 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_200025704644 [1,1,0,0,0,0|2,0,0]=4 2750 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)Br 62a_100009815748_200025704644 [1,1,0,0,0,0|0,1,0]=3 2751 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)F 62a_100000206404_200025704644 [1,1,0,0,0,0|0,1,0]=3 2752 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)F 62a_200025704644_100000206404 [1,1,0,0,0,0|0,1,0]=3 2753 B12R1.76 CNc1ccccc1S(=O)(=O)N 34a_100011204920_200000210301 [1,1,0,0,0,0|2,0,0]=4 2754 B12R1.76 COc1ccccc1S(=O)(=O)C 34a_100000054562_200000210301 [1,1,0,0,0,0|2,0,0]=4 2755 B12R1.76 COc1ccccc1S(=O)(=O)C 7a_100000054562_200000210301 [1,1,0,0,0,0|2,0,0]=4 2756 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 34a_100000054562_200025704644 [1,1,0,0,0,0|2,0,0]=4 2757 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 7a_100000054562_200025704644 [1,1,0,0,0,0|2,0,0]=4 2758 B12R1.76 CSc1ccccc1S(=O)(=O)N 62a_100000164562_200000210301 [1,1,0,0,0,0|1,1,0]=4 2759 B12R1.76 [13CH3]Nc1ccccc1S(=O)(=O)N 34a_100011204920_200025704644 [1,1,0,0,0,0|2,0,0]=4 2760 B12R1.76 [13CH3]Sc1ccccc1S(=O)(=O)N 62a_100000164562_200025704644 [1,1,0,0,0,0|1,1,0]=4 2761 B12R1.87 C=C(C)c1cccc(c1OC)Br 271570a_100000694244_100010146560 [1,1,0,0,0,0|2,0,0]=4 2762 B12R1.87 C=C(C)c1cccc(c1OC)C 271570a_100000694244_100010141385 [1,1,0,0,0,0|2,0,0]=4 2763 B12R1.87 C=C(C)c1cccc(c1OC)Cl 271570a_100000694244_100010147678 [1,1,0,0,0,0|2,0,0]=4 2764 B12R1.87 C=C(C)c1cccc(c1OC)F 271570a_100000694244_100009816759 [1,1,0,0,0,0|2,0,0]=4 2765 B12R1.87 C=C(C)c1cccc(c1OC)N 271570a_100000694244_100011935253 [1,1,0,0,0,0|2,0,0]=4 2766 B12R1.87 C=C(C)c1cccc(c1OC)O 271570a_100000694244_100010234590 [1,1,0,0,0,0|2,0,0]=4 2767 B12R1.87 C=Cc1c(cccc1C(=O)N)C 271570a_100011290941_200011409216 [1,1,0,0,0,0|0,0,2]=4 2768 B12R1.87 C=Cc1c(cccc1C(=O)N)F 271570a_100011290941_200012351544 [1,1,0,0,0,0|0,0,2]=4 2769 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 34a_100009847209_200025704644 [1,1,0,0,0,0|1,0,0]=3 2770 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 7a_100009847209_200025704644 [1,1,0,0,0,0|1,0,0]=3 2771 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 34a_100000043392_200025704644 [1,1,0,0,0,0|1,0,0]=3 2772 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 7a_100000043392_200025704644 [1,1,0,0,0,0|1,0,0]=3 2773 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 34a_100011246037_200025704644 [1,1,0,0,0,0|1,0,0]=3 2774 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 7a_100011246037_200025704644 [1,1,0,0,0,0|1,0,0]=3 2775 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_100012362612_200025704644 [1,1,0,0,0,0|1,1,0]=4 2776 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012362612 [1,1,0,0,0,0|1,1,0]=4 2777 B12R1.87 CCc1c(cccc1C(=O)C)Br 1458a_100010125490_200000210301 [1,1,0,0,0,0|1,0,0]=3 2778 B12R1.87 CCc1c(cccc1C(=O)[13CH3])Br 1458a_100010125490_200025704644 [1,1,0,0,0,0|1,0,0]=3 2779 B12R1.87 CNc1c(cccc1C(=O)N)C 34a_100000223273_200000210301 [1,1,0,0,0,0|1,0,0]=3 2780 B12R1.87 CNc1c(cccc1C(=O)N)Cl 34a_200011997947_200000210301 [1,1,0,0,0,0|1,0,0]=3 2781 B12R1.87 CNc1c(cccc1C(=O)N)F 34a_100011722151_200000210301 [1,1,0,0,0,0|1,0,0]=3 2782 B12R1.87 COc1c(cccc1C(=O)C)Br 1458a_100000689802_200000210301 [1,1,0,0,0,0|1,0,0]=3 2783 B12R1.87 COc1c(cccc1C(=O)C)C 1458a_100000187929_200000210301 [1,1,0,0,0,0|1,0,0]=3 2784 B12R1.87 COc1c(cccc1C(=O)C)C 34a_100009847209_200000210301 [1,1,0,0,0,0|1,0,0]=3 2785 B12R1.87 COc1c(cccc1C(=O)C)C 7a_100009847209_200000210301 [1,1,0,0,0,0|1,0,0]=3 2786 B12R1.87 COc1c(cccc1C(=O)C)Cl 1458a_100011934004_200000210301 [1,1,0,0,0,0|1,0,0]=3 2787 B12R1.87 COc1c(cccc1C(=O)C)Cl 34a_100000043392_200000210301 [1,1,0,0,0,0|1,0,0]=3 2788 B12R1.87 COc1c(cccc1C(=O)C)Cl 7a_100000043392_200000210301 [1,1,0,0,0,0|1,0,0]=3 2789 B12R1.87 COc1c(cccc1C(=O)C)F 1458a_100011218433_200000210301 [1,1,0,0,0,0|1,0,0]=3 2790 B12R1.87 COc1c(cccc1C(=O)C)F 34a_100011246037_200000210301 [1,1,0,0,0,0|1,0,0]=3 2791 B12R1.87 COc1c(cccc1C(=O)C)F 7a_100011246037_200000210301 [1,1,0,0,0,0|1,0,0]=3 2792 B12R1.87 COc1c(cccc1C(=O)C)O 1458a_100000080799_200000210301 [1,1,0,0,0,0|1,0,0]=3 2793 B12R1.87 COc1c(cccc1C(=O)C)O 271570a_203496583355_100010725610 [1,1,0,0,0,0|1,0,0]=3 2794 B12R1.87 COc1c(cccc1C(=O)N)Cl 34a_100009868166_200000210301 [1,1,0,0,0,0|0,0,0]=2 2795 B12R1.87 COc1c(cccc1C(=O)N)Cl 7a_100009868166_200000210301 [1,1,0,0,0,0|0,0,0]=2 2796 B12R1.87 COc1c(cccc1C(=O)N)F 34a_100009886295_200000210301 [1,1,0,0,0,0|0,0,0]=2 2797 B12R1.87 COc1c(cccc1C(=O)N)F 7a_100009886295_200000210301 [1,1,0,0,0,0|0,0,0]=2 2798 B12R1.87 COc1c(cccc1C(=O)N)O 271570a_203496583355_100010146779 [1,1,0,0,0,0|0,0,0]=2 2799 B12R1.87 COc1c(cccc1C(=O)[13CH3])Br 1458a_100000689802_200025704644 [1,1,0,0,0,0|1,0,0]=3 2800 B12R1.87 COc1c(cccc1C(=O)[13CH3])C 1458a_100000187929_200025704644 [1,1,0,0,0,0|1,0,0]=3 2801 B12R1.87 COc1c(cccc1C(=O)[13CH3])Cl 1458a_100011934004_200025704644 [1,1,0,0,0,0|1,0,0]=3 2802 B12R1.87 COc1c(cccc1C(=O)[13CH3])F 1458a_100011218433_200025704644 [1,1,0,0,0,0|1,0,0]=3 2803 B12R1.87 COc1c(cccc1C(=O)[13CH3])O 1458a_100000080799_200025704644 [1,1,0,0,0,0|1,0,0]=3 2804 B12R1.87 COc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_200000210301 [1,1,0,0,0,0|2,0,0]=4 2805 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 34a_100000763257_200000210301 [1,1,0,0,0,0|2,0,0]=4 2806 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 7a_100000763257_200000210301 [1,1,0,0,0,0|2,0,0]=4 2807 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_200000210301 [1,1,0,0,0,0|2,0,0]=4 2808 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_200000210301 [1,1,0,0,0,0|2,0,0]=4 2809 B12R1.87 COc1c(cccc1[N+](=O)[O-])F 34a_100000690172_200000210301 [1,1,0,0,0,0|2,0,0]=4 2810 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_100012362612_200000210301 [1,1,0,0,0,0|1,1,0]=4 2811 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_200000210301_100012362612 [1,1,0,0,0,0|1,1,0]=4 2812 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200000210301_200011409216 [1,1,0,0,0,0|0,1,0]=3 2813 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200011409216_200000210301 [1,1,0,0,0,0|0,1,0]=3 2814 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200000210301_200012351544 [1,1,0,0,0,0|0,1,0]=3 2815 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200012351544_200000210301 [1,1,0,0,0,0|0,1,0]=3 2816 B12R1.87 Cc1cccc(c1N[13CH3])C(=O)N 34a_100000223273_200025704644 [1,1,0,0,0,0|1,0,0]=3 2817 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 34a_100000763257_200025704644 [1,1,0,0,0,0|2,0,0]=4 2818 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 7a_100000763257_200025704644 [1,1,0,0,0,0|2,0,0]=4 2819 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200011409216_200025704644 [1,1,0,0,0,0|0,1,0]=3 2820 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200025704644_200011409216 [1,1,0,0,0,0|0,1,0]=3 2821 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)Cl 34a_200011997947_200025704644 [1,1,0,0,0,0|1,0,0]=3 2822 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)F 34a_100011722151_200025704644 [1,1,0,0,0,0|1,0,0]=3 2823 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 34a_100009868166_200025704644 [1,1,0,0,0,0|0,0,0]=2 2824 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 7a_100009868166_200025704644 [1,1,0,0,0,0|0,0,0]=2 2825 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 34a_100009886295_200025704644 [1,1,0,0,0,0|0,0,0]=2 2826 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 7a_100009886295_200025704644 [1,1,0,0,0,0|0,0,0]=2 2827 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_200025704644 [1,1,0,0,0,0|2,0,0]=4 2828 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_200025704644 [1,1,0,0,0,0|2,0,0]=4 2829 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_200025704644 [1,1,0,0,0,0|2,0,0]=4 2830 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])F 34a_100000690172_200025704644 [1,1,0,0,0,0|2,0,0]=4 2831 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200012351544_200025704644 [1,1,0,0,0,0|0,1,0]=3 2832 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200025704644_200012351544 [1,1,0,0,0,0|0,1,0]=3 2833 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [1,1,0,0,0,0|1,0,1]=4 2834 B12R1.261 C=C(C)c1ccccc1C(=O)N 271570a_100000694244_100000162227 [1,1,0,0,0,0|0,0,1]=3 2835 B12R1.261 C=C(C)c1ccccc1C(C)C 271570a_100000694244_100011218076 [1,1,0,0,0,0|2,0,0]=4 2836 B12R1.261 C=C(C)c1ccccc1C(C)N 271570a_100000694244_100000181357 [1,1,0,0,0,0|2,0,0]=4 2837 B12R1.261 C=C(C)c1ccccc1C(C)O 271570a_100000694244_100000702211 [1,1,0,0,0,0|2,0,0]=4 2838 B12R1.261 C=C(C)c1cccnc1C(=O)N 271570a_100000694244_200012359670 [1,1,0,0,0,0|1,0,1]=4 2839 B12R1.261 C=C(C)c1ccncc1C(=O)N 271570a_100000694244_100000697804 [1,1,0,0,0,0|1,0,1]=4 2840 B12R1.261 C=C(C)c1cnccc1C(=O)N 271570a_100000694244_100010205435 [1,1,0,0,0,0|1,0,1]=4 2841 B12R1.261 C=C(C)c1ncccc1C(=O)N 271570a_100000694244_100000162199 [1,1,0,0,0,0|1,0,1]=4 2842 B12R1.261 CC(=O)c1ccccc1C(C)C 1458a_100011941426_200000210301 [1,1,0,0,0,0|1,0,0]=3 2843 B12R1.261 CC(=O)c1ccccc1C(F)F 1458a_100009872251_200000210301 [1,1,0,0,0,0|2,0,0]=4 2844 B12R1.261 CC(=O)c1ccccc1N(C)C 1458a_100011218752_200000210301 [1,1,0,0,0,0|2,0,0]=4 2845 B12R1.261 CC(=O)c1ccccc1S(=O)C 1458a_100000204632_200000210301 [1,1,0,0,0,0|1,1,0]=4 2846 B12R1.261 CC(C)c1ccccc1C(=O)[13CH3] 1458a_100011941426_200025704644 [1,1,0,0,0,0|1,0,0]=3 2847 B12R1.261 CN(C)c1ccccc1C(=O)N 269982a_100000184419_200000210301 [1,1,0,0,0,0|1,0,0]=3 2848 B12R1.261 CN(C)c1ccccc1C(=O)[13CH3] 1458a_100011218752_200025704644 [1,1,0,0,0,0|2,0,0]=4 2849 B12R1.261 CN(C)c1cccnc1C(=O)N 27a_100102631434_200012359670 [1,1,0,0,0,0|2,0,0]=4 2850 B12R1.261 CN(C)c1ccncc1C(=O)N 27a_100102631434_100000697804 [1,1,0,0,0,0|2,0,0]=4 2851 B12R1.261 CN(C)c1ncccc1C(=O)N 27a_100102631434_100000162199 [1,1,0,0,0,0|2,0,0]=4 2852 B12R1.261 CN([13CH3])c1ccccc1C(=O)N 269982a_100000184419_200025704644 [1,1,0,0,0,0|1,0,0]=3 2853 B12R1.261 CS(=O)c1ccccc1C(=O)[13CH3] 1458a_100000204632_200025704644 [1,1,0,0,0,0|1,1,0]=4 2854 B12R1.261 [13CH3]C(=O)c1ccccc1C(F)F 1458a_100009872251_200025704644 [1,1,0,0,0,0|2,0,0]=4 2855 B12R1.437 C=C(C)c1c(cccc1CC)C 271570a_100000694244_100000036235 [1,1,0,0,0,0|2,0,0]=4 2856 B12R1.437 C=C(C)c1c(cccc1OC)Br 271570a_100000694244_100010131421 [1,1,0,0,0,0|2,0,0]=4 2857 B12R1.437 C=C(C)c1c(cccc1OC)F 271570a_100000694244_100000041735 [1,1,0,0,0,0|2,0,0]=4 2858 B12R1.437 C=C(C)c1c(cccc1OC)N 271570a_100000694244_100000703447 [1,1,0,0,0,0|2,0,0]=4 2859 B12R1.437 C=C(C)c1c(cccc1OC)O 271570a_100000694244_100010202623 [1,1,0,0,0,0|2,0,0]=4 2860 B12R1.437 C=Cc1cccc(c1C(=O)N)Cl 271570a_100011290941_100010147686 [1,1,0,0,0,0|0,0,2]=4 2861 B12R1.437 C=Cc1cccc(c1C(=O)N)F 271570a_100011290941_100011219063 [1,1,0,0,0,0|0,0,2]=4 2862 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 34a_100010174959_200025704644 [1,1,0,0,0,0|1,0,0]=3 2863 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 7a_100010174959_200025704644 [1,1,0,0,0,0|1,0,0]=3 2864 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 34a_100009860897_200025704644 [1,1,0,0,0,0|1,0,0]=3 2865 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 7a_100009860897_200025704644 [1,1,0,0,0,0|1,0,0]=3 2866 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 34a_100000730630_200025704644 [1,1,0,0,0,0|1,0,0]=3 2867 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 7a_100000730630_200025704644 [1,1,0,0,0,0|1,0,0]=3 2868 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 34a_100011216272_200025704644 [1,1,0,0,0,0|1,0,0]=3 2869 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 7a_100011216272_200025704644 [1,1,0,0,0,0|1,0,0]=3 2870 B12R1.437 CC(=O)c1c(cccc1S[13CH3])F 62a_100012351873_200025704644 [1,1,0,0,0,0|1,1,0]=4 2871 B12R1.437 CNc1cccc(c1C(=O)N)C 34a_100102558177_200000210301 [1,1,0,0,0,0|1,0,0]=3 2872 B12R1.437 CNc1cccc(c1C(=O)N)C 7a_100102558177_200000210301 [1,1,0,0,0,0|1,0,0]=3 2873 B12R1.437 CNc1cccc(c1C(=O)N)Cl 34a_100000764435_200000210301 [1,1,0,0,0,0|1,0,0]=3 2874 B12R1.437 CNc1cccc(c1C(=O)N)Cl 7a_100000764435_200000210301 [1,1,0,0,0,0|1,0,0]=3 2875 B12R1.437 CNc1cccc(c1C(=O)N)F 27a_100102657272_100011219063 [1,1,0,0,0,0|1,0,0]=3 2876 B12R1.437 CNc1cccc(c1C(=O)N)F 34a_100000036109_200000210301 [1,1,0,0,0,0|1,0,0]=3 2877 B12R1.437 CNc1cccc(c1C(=O)N)F 7a_100000036109_200000210301 [1,1,0,0,0,0|1,0,0]=3 2878 B12R1.437 COc1cccc(c1C(=O)C)Br 1458a_100011593405_200000210301 [1,1,0,0,0,0|1,0,0]=3 2879 B12R1.437 COc1cccc(c1C(=O)C)Br 34a_100010174959_200000210301 [1,1,0,0,0,0|1,0,0]=3 2880 B12R1.437 COc1cccc(c1C(=O)C)Br 7a_100010174959_200000210301 [1,1,0,0,0,0|1,0,0]=3 2881 B12R1.437 COc1cccc(c1C(=O)C)C 1458a_100000066212_200000210301 [1,1,0,0,0,0|1,0,0]=3 2882 B12R1.437 COc1cccc(c1C(=O)C)C 34a_100009860897_200000210301 [1,1,0,0,0,0|1,0,0]=3 2883 B12R1.437 COc1cccc(c1C(=O)C)C 7a_100009860897_200000210301 [1,1,0,0,0,0|1,0,0]=3 2884 B12R1.437 COc1cccc(c1C(=O)C)Cl 1458a_100000743539_200000210301 [1,1,0,0,0,0|1,0,0]=3 2885 B12R1.437 COc1cccc(c1C(=O)C)Cl 34a_100000730630_200000210301 [1,1,0,0,0,0|1,0,0]=3 2886 B12R1.437 COc1cccc(c1C(=O)C)Cl 7a_100000730630_200000210301 [1,1,0,0,0,0|1,0,0]=3 2887 B12R1.437 COc1cccc(c1C(=O)C)F 1458a_100000759380_200000210301 [1,1,0,0,0,0|1,0,0]=3 2888 B12R1.437 COc1cccc(c1C(=O)C)F 34a_100011216272_200000210301 [1,1,0,0,0,0|1,0,0]=3 2889 B12R1.437 COc1cccc(c1C(=O)C)F 7a_100011216272_200000210301 [1,1,0,0,0,0|1,0,0]=3 2890 B12R1.437 COc1cccc(c1C(=O)C)I 1458a_100010179659_200000210301 [1,1,0,0,0,0|1,0,0]=3 2891 B12R1.437 COc1cccc(c1C(=O)C)O 1458a_100000043310_200000210301 [1,1,0,0,0,0|1,0,0]=3 2892 B12R1.437 COc1cccc(c1C(=O)C)O 271570a_203496583355_100010725609 [1,1,0,0,0,0|1,0,0]=3 2893 B12R1.437 COc1cccc(c1C(=O)N)F 34a_100000701607_200000210301 [1,1,0,0,0,0|0,0,0]=2 2894 B12R1.437 COc1cccc(c1C(=O)N)F 7a_100000701607_200000210301 [1,1,0,0,0,0|0,0,0]=2 2895 B12R1.437 COc1cccc(c1C(=O)N)O 271570a_203496583355_200010146778 [1,1,0,0,0,0|0,0,0]=2 2896 B12R1.437 COc1cccc(c1C(=O)[13CH3])Br 1458a_100011593405_200025704644 [1,1,0,0,0,0|1,0,0]=3 2897 B12R1.437 COc1cccc(c1C(=O)[13CH3])C 1458a_100000066212_200025704644 [1,1,0,0,0,0|1,0,0]=3 2898 B12R1.437 COc1cccc(c1C(=O)[13CH3])Cl 1458a_100000743539_200025704644 [1,1,0,0,0,0|1,0,0]=3 2899 B12R1.437 COc1cccc(c1C(=O)[13CH3])F 1458a_100000759380_200025704644 [1,1,0,0,0,0|1,0,0]=3 2900 B12R1.437 COc1cccc(c1C(=O)[13CH3])I 1458a_100010179659_200025704644 [1,1,0,0,0,0|1,0,0]=3 2901 B12R1.437 COc1cccc(c1C(=O)[13CH3])O 1458a_100000043310_200025704644 [1,1,0,0,0,0|1,0,0]=3 2902 B12R1.437 COc1cccc(c1[N+](=O)[O-])Br 34a_100011934925_200000210301 [1,1,0,0,0,0|2,0,0]=4 2903 B12R1.437 COc1cccc(c1[N+](=O)[O-])Br 7a_100011934925_200000210301 [1,1,0,0,0,0|2,0,0]=4 2904 B12R1.437 COc1cccc(c1[N+](=O)[O-])C 34a_100000740142_200000210301 [1,1,0,0,0,0|2,0,0]=4 2905 B12R1.437 COc1cccc(c1[N+](=O)[O-])C 7a_100000740142_200000210301 [1,1,0,0,0,0|2,0,0]=4 2906 B12R1.437 COc1cccc(c1[N+](=O)[O-])Cl 34a_100011999376_200000210301 [1,1,0,0,0,0|2,0,0]=4 2907 B12R1.437 COc1cccc(c1[N+](=O)[O-])Cl 7a_100011999376_200000210301 [1,1,0,0,0,0|2,0,0]=4 2908 B12R1.437 COc1cccc(c1[N+](=O)[O-])F 34a_100011217962_200000210301 [1,1,0,0,0,0|2,0,0]=4 2909 B12R1.437 COc1cccc(c1[N+](=O)[O-])F 7a_100011217962_200000210301 [1,1,0,0,0,0|2,0,0]=4 2910 B12R1.437 COc1cccc(c1[N+](=O)[O-])I 7a_100010150324_200000210301 [1,1,0,0,0,0|2,0,0]=4 2911 B12R1.437 CSc1cccc(c1C(=O)C)F 62a_100012351873_200000210301 [1,1,0,0,0,0|1,1,0]=4 2912 B12R1.437 CSc1cccc(c1C(=O)N)Cl 62a_100010147686_200000210301 [1,1,0,0,0,0|0,1,0]=3 2913 B12R1.437 CSc1cccc(c1C(=O)N)F 62a_100011219063_200000210301 [1,1,0,0,0,0|0,1,0]=3 2914 B12R1.437 CSc1cncc(c1C(=O)N)F 62a_100010271514_200000210301 [1,1,0,0,0,0|1,1,0]=4 2915 B12R1.437 CSc1cncc(c1C(=O)N)F 62a_200000210301_100010271514 [1,1,0,0,0,0|1,1,0]=4 2916 B12R1.437 Cc1cccc(c1C(=O)N)N[13CH3] 34a_100102558177_200025704644 [1,1,0,0,0,0|1,0,0]=3 2917 B12R1.437 Cc1cccc(c1C(=O)N)N[13CH3] 7a_100102558177_200025704644 [1,1,0,0,0,0|1,0,0]=3 2918 B12R1.437 Cc1cccc(c1[N+](=O)[O-])O[13CH3] 34a_100000740142_200025704644 [1,1,0,0,0,0|2,0,0]=4 2919 B12R1.437 Cc1cccc(c1[N+](=O)[O-])O[13CH3] 7a_100000740142_200025704644 [1,1,0,0,0,0|2,0,0]=4 2920 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)Cl 34a_100000764435_200025704644 [1,1,0,0,0,0|1,0,0]=3 2921 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)Cl 7a_100000764435_200025704644 [1,1,0,0,0,0|1,0,0]=3 2922 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)F 34a_100000036109_200025704644 [1,1,0,0,0,0|1,0,0]=3 2923 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)F 7a_100000036109_200025704644 [1,1,0,0,0,0|1,0,0]=3 2924 B12R1.437 [13CH3]Oc1cccc(c1C(=O)N)F 34a_100000701607_200025704644 [1,1,0,0,0,0|0,0,0]=2 2925 B12R1.437 [13CH3]Oc1cccc(c1C(=O)N)F 7a_100000701607_200025704644 [1,1,0,0,0,0|0,0,0]=2 2926 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Br 34a_100011934925_200025704644 [1,1,0,0,0,0|2,0,0]=4 2927 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Br 7a_100011934925_200025704644 [1,1,0,0,0,0|2,0,0]=4 2928 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Cl 34a_100011999376_200025704644 [1,1,0,0,0,0|2,0,0]=4 2929 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Cl 7a_100011999376_200025704644 [1,1,0,0,0,0|2,0,0]=4 2930 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])F 34a_100011217962_200025704644 [1,1,0,0,0,0|2,0,0]=4 2931 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])F 7a_100011217962_200025704644 [1,1,0,0,0,0|2,0,0]=4 2932 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])I 7a_100010150324_200025704644 [1,1,0,0,0,0|2,0,0]=4 2933 B12R1.437 [13CH3]Sc1cccc(c1C(=O)N)Cl 62a_100010147686_200025704644 [1,1,0,0,0,0|0,1,0]=3 2934 B12R1.437 [13CH3]Sc1cccc(c1C(=O)N)F 62a_100011219063_200025704644 [1,1,0,0,0,0|0,1,0]=3 2935 B12R1.437 [13CH3]Sc1cncc(c1C(=O)N)F 62a_100010271514_200025704644 [1,1,0,0,0,0|1,1,0]=4 2936 B12R1.437 [13CH3]Sc1cncc(c1C(=O)N)F 62a_200025704644_100010271514 [1,1,0,0,0,0|1,1,0]=4 2937 B12R1.291 CCOc1cc[nH]c1C(=O)OC 34a_100000131702_100000210202 [0,1,0,0,1,0|2,0,0]=4 2938 B12R1.291 CCOc1ccsc1C(=O)OC 7a_100000043449_100000210202 [0,1,0,0,1,0|2,0,0]=4 2939 B12R1.386 CCCCc1cscc1C(=O)N 271570a_100020621405_100009817205 [0,1,0,0,1,0|2,0,0]=4 2940 B12R1.386 CCCSc1cscc1C(=O)N 62a_100000210303_100009817205 [0,1,0,0,1,0|1,1,0]=4 2941 B12R1.386 CCCSc1cscc1C(=O)N 62a_100009817205_100000210303 [0,1,0,0,1,0|1,1,0]=4 2942 B12R1.386 COCSc1cscc1C(=O)N 62a_100000766300_100009817205 [0,1,0,0,1,0|1,1,0]=4 2943 B12R1.386 COCSc1cscc1C(=O)N 62a_100009817205_100000766300 [0,1,0,0,1,0|1,1,0]=4 2944 B12R1.386 CSCSc1cscc1C(=O)N 62a_100009817205_100011218213 [0,1,0,0,1,0|1,1,0]=4 2945 B12R1.386 CSCSc1cscc1C(=O)N 62a_100011218213_100009817205 [0,1,0,0,1,0|1,1,0]=4 2946 B12R1.386 NC(=O)c1cscc1SCCF 62a_100009817205_100011217306 [0,1,0,0,1,0|1,1,0]=4 2947 B12R1.386 NC(=O)c1cscc1SCCF 62a_100011217306_100009817205 [0,1,0,0,1,0|1,1,0]=4 2948 B12R1.386 NC(=O)c1cscc1SCCO 62a_100000211926_100009817205 [0,1,0,0,1,0|1,1,0]=4 2949 B12R1.386 NC(=O)c1cscc1SCCO 62a_100009817205_100000211926 [0,1,0,0,1,0|1,1,0]=4 2950 B12R1.392 CC(C)Sc1cscc1C(=O)N 62a_100000210206_100009817205 [0,1,0,0,1,0|1,1,0]=4 2951 B12R1.392 CC(C)Sc1cscc1C(=O)N 62a_100009817205_100000210206 [0,1,0,0,1,0|1,1,0]=4 2952 B14R1.262 CCOc1ccccc1NS(=O)(=O)C 40a_100000211218_100000738038 [0,1,0,0,0,1|2,0,0]=4 2953 B14R1.438 CC(=O)Nc1ccc(cc1OCF)C 34a_100000161862_100015361967 [0,1,0,0,0,1|2,0,0]=4 2954 B14R1.438 CC(=O)Nc1ccc(cc1OCF)C 7a_100000161862_100015361967 [0,1,0,0,0,1|2,0,0]=4 2955 B14R1.438 CCNc1cc(ccc1NC(=O)C)Br 34a_100000749274_100000210202 [0,1,0,0,0,1|2,0,0]=4 2956 B14R1.438 CCNc1cc(ccc1NC(=O)C)Br 7a_100000749274_100000210202 [0,1,0,0,0,1|2,0,0]=4 2957 B14R1.438 CCNc1cc(ccc1NC(=O)C)C 2230a_100000750913_100000210202 [0,1,0,0,0,1|2,0,0]=4 2958 B14R1.438 CCNc1cc(ccc1NC(=O)C)C 34a_100000750913_100000210202 [0,1,0,0,0,1|2,0,0]=4 2959 B14R1.438 CCNc1cc(ccc1NC(=O)C)C 7a_100000750913_100000210202 [0,1,0,0,0,1|2,0,0]=4 2960 B14R1.438 CCNc1cc(ccc1NC(=O)C)Cl 34a_100000747302_100000210202 [0,1,0,0,0,1|2,0,0]=4 2961 B14R1.438 CCNc1cc(ccc1NC(=O)C)Cl 7a_100000747302_100000210202 [0,1,0,0,0,1|2,0,0]=4 2962 B14R1.438 CCOc1cc(ccc1C=C(C)C)C 271570a_100102525489_200010713166 [0,1,0,0,0,1|2,0,0]=4 2963 B14R1.438 CCOc1cc(ccc1C=C(C)C)F 271570a_100102525489_200012340411 [0,1,0,0,0,1|2,0,0]=4 2964 B14R1.438 CCOc1cc(ccc1C=C(C)C)N 271570a_100102525489_200016990551 [0,1,0,0,0,1|2,0,0]=4 2965 B14R1.438 CCOc1cc(ccc1NC(=O)C)Br 11a_100000688918_100015343762 [0,1,0,0,0,1|1,0,0]=3 2966 B14R1.438 CCOc1cc(ccc1NC(=O)C)Br 1626a_100000688918_100015343762 [0,1,0,0,0,1|1,0,0]=3 2967 B14R1.438 CCOc1cc(ccc1NC(=O)C)Br 22a_100000688918_100000070787 [0,1,0,0,0,1|1,0,0]=3 2968 B14R1.438 CCOc1cc(ccc1NC(=O)C)C 11a_100000742043_100015343762 [0,1,0,0,0,1|1,0,0]=3 2969 B14R1.438 CCOc1cc(ccc1NC(=O)C)C 1626a_100000742043_100015343762 [0,1,0,0,0,1|1,0,0]=3 2970 B14R1.438 CCOc1cc(ccc1NC(=O)C)C 22a_100000742043_100000070787 [0,1,0,0,0,1|1,0,0]=3 2971 B14R1.438 CCOc1cc(ccc1NC(=O)C)C 34a_100000161862_100000210202 [0,1,0,0,0,1|1,0,0]=3 2972 B14R1.438 CCOc1cc(ccc1NC(=O)C)C 527a_100000742043_100103153847 [0,1,0,0,0,1|1,0,0]=3 2973 B14R1.438 CCOc1cc(ccc1NC(=O)C)C 7a_100000161862_100000210202 [0,1,0,0,0,1|1,0,0]=3 2974 B14R1.438 CCOc1cc(ccc1NC(=O)C)Cl 11a_100000687649_100015343762 [0,1,0,0,0,1|1,0,0]=3 2975 B14R1.438 CCOc1cc(ccc1NC(=O)C)Cl 1626a_100000687649_100015343762 [0,1,0,0,0,1|1,0,0]=3 2976 B14R1.438 CCOc1cc(ccc1NC(=O)C)Cl 22a_100000687649_100000070787 [0,1,0,0,0,1|1,0,0]=3 2977 B14R1.438 CCOc1cc(ccc1NC(=O)C)F 11a_100000741351_100015343762 [0,1,0,0,0,1|1,0,0]=3 2978 B14R1.438 CCOc1cc(ccc1NC(=O)C)F 1626a_100000741351_100015343762 [0,1,0,0,0,1|1,0,0]=3 2979 B14R1.438 CCOc1cc(ccc1NC(=O)C)F 22a_100000741351_100000070787 [0,1,0,0,0,1|1,0,0]=3 2980 B14R1.438 CCSc1cc(ccc1NC(=O)C)Br 62a_100009813020_100000210202 [0,1,0,0,0,1|1,1,0]=4 2981 B14R1.438 CCSc1cc(ccc1NC(=O)C)C 62a_100000210202_100000152032 [0,1,0,0,0,1|1,1,0]=4 2982 B14R1.438 CCSc1cc(ccc1NC(=O)C)F 62a_100000210202_100011215554 [0,1,0,0,0,1|1,1,0]=4 2983 B14R1.481 CCOc1ccccc1C(=C(C)C)C 271570a_200000049429_100000230754 [0,1,0,0,0,1|2,0,0]=4 2984 B14R1.483 C=CC(=O)Nc1ccccc1CCC 1626a_100000737634_100000185746 [0,1,0,0,0,1|2,0,0]=4 2985 B14R1.483 C=CC(=O)Nc1ccccc1CCC 22a_100000737634_100000185746 [0,1,0,0,0,1|2,0,0]=4 2986 B14R1.483 C=CC(=O)Nc1ccccc1OCC 1626a_100000211218_100000185746 [0,1,0,0,0,1|1,0,0]=3 2987 B14R1.483 C=CC(=O)Nc1ccccc1OCC 22a_100000211218_100000185746 [0,1,0,0,0,1|1,0,0]=3 2988 B14R1.483 C=CC(=O)Nc1ccccc1SCC 1626a_100011223125_100000185746 [0,1,0,0,0,1|1,1,0]=4 2989 B14R1.483 C=CC(=O)Nc1ccccc1SCC 22a_100011223125_100000185746 [0,1,0,0,0,1|1,1,0]=4 2990 B14R1.483 CC=Cc1ccccc1CC(=O)NC 271570a_100016259895_200009816160 [0,1,0,0,0,1|1,0,1]=4 2991 B14R1.483 CC=Cc1ccccc1CC(=O)NN 271570a_100016259895_200010210069 [0,1,0,0,0,1|1,0,1]=4 2992 B14R1.483 CCCc1ccccc1NC(=O)CC 11a_100000737634_100000210414 [0,1,0,0,0,1|2,0,0]=4 2993 B14R1.483 CCCc1ccccc1NC(=O)CC 1626a_100000737634_100000210414 [0,1,0,0,0,1|2,0,0]=4 2994 B14R1.483 CCCc1ccccc1NC(=O)CC 22a_100000737634_100000210414 [0,1,0,0,0,1|2,0,0]=4 2995 B14R1.483 CCCc1ccccc1NC(=O)CC 527a_100000737634_100000210414 [0,1,0,0,0,1|2,0,0]=4 2996 B14R1.483 CCCc1ccccc1NC(=O)CO 22a_100000737634_100000210174 [0,1,0,0,0,1|2,0,0]=4 2997 B14R1.483 CCCc1ccccc1NC(=O)CO 527a_100000737634_100000210174 [0,1,0,0,0,1|2,0,0]=4 2998 B14R1.483 CCCc1ccccc1NC(=O)NC 2430a_100000737634_100102657272 [0,1,0,0,0,1|1,0,0]=3 2999 B14R1.483 CCCc1ccccc1NC(=O)NC 512a_100000737634_100102657272 [0,1,0,0,0,1|1,0,0]=3 3000 B14R1.483 CCNc1ccccc1CC(=O)NC 2230a_100000738506_100000210202 [0,1,0,0,0,1|1,0,0]=3 3001 B14R1.483 CCNc1ccccc1CC(=O)NC 34a_100000738506_100000210202 [0,1,0,0,0,1|1,0,0]=3 3002 B14R1.483 CCOc1ccccc1CC(=O)CC 1458a_100011247627_100000210202 [0,1,0,0,0,1|1,0,0]=3 3003 B14R1.483 CCOc1ccccc1CC(=O)CF 1458a_100011247627_100015361967 [0,1,0,0,0,1|1,0,0]=3 3004 B14R1.483 CCOc1ccccc1CC(=O)NC 11a_106832991635_100011247627 [0,1,0,0,0,1|0,0,0]=2 3005 B14R1.483 CCOc1ccccc1CC(=O)NC 1626a_100102657272_100011247627 [0,1,0,0,0,1|0,0,0]=2 3006 B14R1.483 CCOc1ccccc1CC(=O)NC 240690a_100102657272_100011247627 [0,1,0,0,0,1|0,0,0]=2 3007 B14R1.483 CCOc1ccccc1CC(=O)NC 527a_100102657272_100011247627 [0,1,0,0,0,1|0,0,0]=2 3008 B14R1.483 CCOc1ccccc1CC(=O)NN 34a_200012021708_100000210202 [0,1,0,0,0,1|0,0,0]=2 3009 B14R1.483 CCOc1ccccc1CC(=O)OC 7a_100000758901_100000210202 [0,1,0,0,0,1|1,0,0]=3 3010 B14R1.483 CCOc1ccccc1CC(C)NC 270004a_106832991635_200000075427 [0,1,0,0,0,1|1,0,1]=4 3011 B14R1.483 CCOc1ccccc1NC(=O)CC 11a_100000211218_100000210414 [0,1,0,0,0,1|1,0,0]=3 3012 B14R1.483 CCOc1ccccc1NC(=O)CC 1626a_100000211218_100000210414 [0,1,0,0,0,1|1,0,0]=3 3013 B14R1.483 CCOc1ccccc1NC(=O)CC 22a_100000211218_100000210414 [0,1,0,0,0,1|1,0,0]=3 3014 B14R1.483 CCOc1ccccc1NC(=O)CCl 7a_100000014494_100000210202 [0,1,0,0,0,1|1,0,0]=3 3015 B14R1.483 CCOc1ccccc1NC(=O)CO 22a_100000211218_100000210174 [0,1,0,0,0,1|1,0,0]=3 3016 B14R1.483 CCOc1ccccc1NC(=O)NC 2430a_100000211218_100102657272 [0,1,0,0,0,1|0,0,0]=2 3017 B14R1.483 CCSc1ccccc1CC(=O)NC 62a_100000210202_200009816160 [0,1,0,0,0,1|0,1,0]=3 3018 B14R1.483 CCSc1ccccc1CC(=O)NC 62a_200009816160_100000210202 [0,1,0,0,0,1|0,1,0]=3 3019 B14R1.483 CCSc1ccccc1CC(=O)NN 62a_100000210202_200010210069 [0,1,0,0,0,1|0,1,0]=3 3020 B14R1.483 CCSc1ccccc1CC(=O)NN 62a_200010210069_100000210202 [0,1,0,0,0,1|0,1,0]=3 3021 B14R1.483 CCSc1ccccc1CC(=O)OC 62a_100000210202_100000699816 [0,1,0,0,0,1|1,1,0]=4 3022 B14R1.483 CCSc1ccccc1CC(=O)OC 62a_100000699816_100000210202 [0,1,0,0,0,1|1,1,0]=4 3023 B14R1.483 CCSc1ccccc1NC(=O)CC 11a_100011223125_100000210414 [0,1,0,0,0,1|1,1,0]=4 3024 B14R1.483 CCSc1ccccc1NC(=O)CC 1626a_100011223125_100000210414 [0,1,0,0,0,1|1,1,0]=4 3025 B14R1.483 CCSc1ccccc1NC(=O)CC 22a_100011223125_100000210414 [0,1,0,0,0,1|1,1,0]=4 3026 B14R1.483 CCSc1ccccc1NC(=O)CC 62a_100000210202_100000153536 [0,1,0,0,0,1|1,1,0]=4 3027 B14R1.483 CCSc1ccccc1NC(=O)CN 62a_100000210202_100000683505 [0,1,0,0,0,1|0,1,0]=3 3028 B14R1.483 CCSc1ccccc1NC(=O)CO 22a_100011223125_100000210174 [0,1,0,0,0,1|1,1,0]=4 3029 B14R1.483 CCSc1ccccc1NC(=O)NC 2430a_100011223125_100102657272 [0,1,0,0,0,1|0,1,0]=3 3030 B14R1.483 CCSc1ccccc1NC(=O)NC 512a_100011223125_100102657272 [0,1,0,0,0,1|0,1,0]=3 3031 B14R1.483 CCSc1ccccc1NC(=O)OC 62a_100000210202_100000216184 [0,1,0,0,0,1|1,1,0]=4 3032 B14R1.483 CNC(=O)Cc1ccccc1NCF 34a_100000738506_100015361967 [0,1,0,0,0,1|2,0,0]=4 3033 B14R1.483 CNC(=O)Cc1ccccc1SCF 62a_100015361967_200009816160 [0,1,0,0,0,1|1,1,0]=4 3034 B14R1.483 CNC(=O)Cc1ccccc1SCF 62a_200009816160_100015361967 [0,1,0,0,0,1|1,1,0]=4 3035 B14R1.483 COC(=O)Cc1ccccc1OCF 7a_100000758901_100015361967 [0,1,0,0,0,1|2,0,0]=4 3036 B14R1.483 NCC(=O)Nc1ccccc1SCF 62a_100015361967_100000683505 [0,1,0,0,0,1|1,1,0]=4 3037 B14R1.483 NNC(=O)Cc1ccccc1OCF 34a_200012021708_100015361967 [0,1,0,0,0,1|1,0,0]=3 3038 B14R1.483 NNC(=O)Cc1ccccc1SCF 62a_100015361967_200010210069 [0,1,0,0,0,1|1,1,0]=4 3039 B14R1.483 NNC(=O)Cc1ccccc1SCF 62a_200010210069_100015361967 [0,1,0,0,0,1|1,1,0]=4 3040 B14R1.483 O=C(CCl)Nc1ccccc1OCF 7a_100000014494_100015361967 [0,1,0,0,0,1|2,0,0]=4 3041 B14R1.744 CCC(C)c1ccccc1NC(=O)C 11a_200000211393_100015343762 [0,1,0,0,0,1|2,0,0]=4 3042 B14R1.744 CCC(C)c1ccccc1NC(=O)C 1626a_200000211393_100015343762 [0,1,0,0,0,1|2,0,0]=4 3043 B14R1.744 CCC(C)c1ccccc1NC(=O)C 22a_200000211393_100000070787 [0,1,0,0,0,1|2,0,0]=4 3044 B14R1.744 CCN(C)c1ccccc1NC(=O)C 11a_103437849306_100015343762 [0,1,0,0,0,1|2,0,0]=4 3045 B14R1.744 CCN(C)c1ccccc1NC(=O)C 1626a_103437849306_100015343762 [0,1,0,0,0,1|2,0,0]=4 3046 B14R1.744 CCN(C)c1ccccc1NC(=O)C 22a_103437849306_100000070787 [0,1,0,0,0,1|2,0,0]=4 3047 B14R1.744 CCN(C)c1ccccc1NC(=O)C 527a_103437849306_100103153847 [0,1,0,0,0,1|2,0,0]=4 3048 B14R1.786 C#CCOc1ccccc1NC(=O)C 11a_100000707309_100015343762 [0,1,0,0,0,1|1,0,1]=4 3049 B14R1.786 C#CCOc1ccccc1NC(=O)C 1626a_100000707309_100015343762 [0,1,0,0,0,1|1,0,1]=4 3050 B14R1.786 C#CCOc1ccccc1NC(=O)C 22a_100000707309_100000070787 [0,1,0,0,0,1|1,0,1]=4 3051 B14R1.786 C#CCOc1ccccc1NC(=O)C 34a_100000185124_100000184674 [0,1,0,0,0,1|1,0,1]=4 3052 B14R1.786 C#CCOc1ccccc1NC(=O)C 527a_100000707309_100103153847 [0,1,0,0,0,1|1,0,1]=4 3053 B14R1.786 C#CCOc1ccccc1NC(=O)C 7a_100000185124_100000038162 [0,1,0,0,0,1|1,0,1]=4 3054 B14R1.786 C#CCOc1ccccc1NC(=S)N 7a_200000011649_100000038162 [0,1,0,0,0,1|0,1,1]=4 3055 B14R1.786 C#CCSc1ccccc1CC(=O)N 62a_100000038162_200009814924 [0,1,0,0,0,1|0,1,1]=4 3056 B14R1.786 C#CCSc1ccccc1NC(=O)N 62a_100000038162_100000742221 [0,1,0,0,0,1|0,1,1]=4 3057 B14R1.786 C=CCOc1ccccc1NC(=O)C 34a_100000185124_100015514636 [0,1,0,0,0,1|1,0,1]=4 3058 B14R1.786 C=CCOc1ccccc1NC(=O)C 7a_100000185124_100015514636 [0,1,0,0,0,1|1,0,1]=4 3059 B14R1.786 C=CCOc1ccccc1NC(=S)N 7a_200000011649_100015514636 [0,1,0,0,0,1|0,1,1]=4 3060 B14R1.786 C=CCSc1ccccc1CC(=O)N 62a_100000210623_200009814924 [0,1,0,0,0,1|0,1,1]=4 3061 B14R1.786 C=CCSc1ccccc1CC(=O)N 62a_200009814924_100000210623 [0,1,0,0,0,1|0,1,1]=4 3062 B14R1.786 C=CCSc1ccccc1NC(=O)N 62a_100000210623_100000742221 [0,1,0,0,0,1|0,1,1]=4 3063 B14R1.786 CC(=Cc1ccccc1OCCN)C 271570a_100102525489_100000744007 [0,1,0,0,0,1|2,0,0]=4 3064 B14R1.786 CC(=Cc1ccccc1OCCO)C 271570a_100102525489_100000230753 [0,1,0,0,0,1|2,0,0]=4 3065 B14R1.786 CC(=O)Cc1ccccc1SCCF 62a_100011217306_100011350739 [0,1,0,0,0,1|1,1,0]=4 3066 B14R1.786 CC(=O)Cc1ccccc1SCCF 62a_100011350739_100011217306 [0,1,0,0,0,1|1,1,0]=4 3067 B14R1.786 CC(=O)Cc1ccccc1SCCO 62a_100000211926_100011350739 [0,1,0,0,0,1|1,1,0]=4 3068 B14R1.786 CC(=O)Cc1ccccc1SCCO 62a_100011350739_100000211926 [0,1,0,0,0,1|1,1,0]=4 3069 B14R1.786 CC(=O)Nc1ccccc1COCF 34a_100000192217_100015361967 [0,1,0,0,0,1|2,0,0]=4 3070 B14R1.786 CC(=O)Nc1ccccc1COCF 7a_100000192217_100015361967 [0,1,0,0,0,1|2,0,0]=4 3071 B14R1.786 CC(=O)Nc1ccccc1NCCF 34a_100011193560_100011217306 [0,1,0,0,0,1|2,0,0]=4 3072 B14R1.786 CC(=O)Nc1ccccc1NCCO 34a_100011193560_100000211926 [0,1,0,0,0,1|2,0,0]=4 3073 B14R1.786 CC(=O)Nc1ccccc1OCC#N 7a_100000185124_100011215382 [0,1,0,0,0,1|1,0,1]=4 3074 B14R1.786 CC(=O)Nc1ccccc1OCC=O 34a_100000185124_200009817547 [0,1,0,0,0,1|1,0,1]=4 3075 B14R1.786 CC(=O)Nc1ccccc1OCC=O 7a_100000185124_200015260668 [0,1,0,0,0,1|1,0,1]=4 3076 B14R1.786 CC(=O)Nc1ccccc1OCCF 11a_100012000959_100015343762 [0,1,0,0,0,1|1,0,0]=3 3077 B14R1.786 CC(=O)Nc1ccccc1OCCF 1626a_100012000959_100015343762 [0,1,0,0,0,1|1,0,0]=3 3078 B14R1.786 CC(=O)Nc1ccccc1OCCF 22a_100012000959_100000070787 [0,1,0,0,0,1|1,0,0]=3 3079 B14R1.786 CC(=O)Nc1ccccc1OCCF 34a_100000185124_100011217306 [0,1,0,0,0,1|1,0,0]=3 3080 B14R1.786 CC(=O)Nc1ccccc1OCCF 527a_100012000959_100103153847 [0,1,0,0,0,1|1,0,0]=3 3081 B14R1.786 CC(=O)Nc1ccccc1OCCF 7a_100000185124_100011217306 [0,1,0,0,0,1|1,0,0]=3 3082 B14R1.786 CC(=O)Nc1ccccc1OCCO 22a_100132302172_100000070787 [0,1,0,0,0,1|1,0,0]=3 3083 B14R1.786 CC(=O)Nc1ccccc1OCCO 34a_100000185124_100000211926 [0,1,0,0,0,1|1,0,0]=3 3084 B14R1.786 CC(=O)Nc1ccccc1OCCO 7a_100000185124_100000211926 [0,1,0,0,0,1|1,0,0]=3 3085 B14R1.786 CC(=O)Nc1ccccc1SCCF 62a_100011217306_100000153524 [0,1,0,0,0,1|1,1,0]=4 3086 B14R1.786 CC(=O)Nc1ccccc1SCCO 62a_100000211926_100000153524 [0,1,0,0,0,1|1,1,0]=4 3087 B14R1.786 CC(=O)Nc1ncccc1OCCF 34a_200000022013_100011217306 [0,1,0,0,0,1|2,0,0]=4 3088 B14R1.786 CC(=O)Nc1ncccc1OCCF 7a_200000022013_100011217306 [0,1,0,0,0,1|2,0,0]=4 3089 B14R1.786 CC(=O)Nc1ncccc1OCCO 34a_200000022013_100000211926 [0,1,0,0,0,1|2,0,0]=4 3090 B14R1.786 CC(=O)Nc1ncccc1OCCO 7a_200000022013_100000211926 [0,1,0,0,0,1|2,0,0]=4 3091 B14R1.786 CC(=O)Oc1ccccc1SCCF 62a_100000051690_100011217306 [0,1,0,0,0,1|1,1,0]=4 3092 B14R1.786 CC(=O)Oc1ccccc1SCCF 62a_100011217306_100000051690 [0,1,0,0,0,1|1,1,0]=4 3093 B14R1.786 CC(=O)Oc1ccccc1SCCO 62a_100000051690_100000211926 [0,1,0,0,0,1|1,1,0]=4 3094 B14R1.786 CC(=O)Oc1ccccc1SCCO 62a_100000211926_100000051690 [0,1,0,0,0,1|1,1,0]=4 3095 B14R1.786 CCCCc1ccccc1CC(=O)C 271570a_100020621405_100011350739 [0,1,0,0,0,1|2,0,0]=4 3096 B14R1.786 CCCCc1ccccc1CC(=O)N 271570a_100020621405_200009814924 [0,1,0,0,0,1|1,0,0]=3 3097 B14R1.786 CCCCc1ccccc1NC(=O)C 11a_200011217597_100015343762 [0,1,0,0,0,1|2,0,0]=4 3098 B14R1.786 CCCCc1ccccc1NC(=O)C 1626a_200011217597_100015343762 [0,1,0,0,0,1|2,0,0]=4 3099 B14R1.786 CCCCc1ccccc1NC(=O)C 22a_200011217597_100000070787 [0,1,0,0,0,1|2,0,0]=4 3100 B14R1.786 CCCCc1ccccc1NC(=O)C 271570a_100020621405_100000153524 [0,1,0,0,0,1|2,0,0]=4 3101 B14R1.786 CCCCc1ccccc1NC(=O)C 527a_200011217597_100103153847 [0,1,0,0,0,1|2,0,0]=4 3102 B14R1.786 CCCCc1ccccc1NC(=O)N 271570a_100020621405_100000742221 [0,1,0,0,0,1|1,0,0]=3 3103 B14R1.786 CCCCc1ccccc1OC(=O)C 271570a_100020621405_100000051690 [0,1,0,0,0,1|2,0,0]=4 3104 B14R1.786 CCCNc1ccccc1NC(=O)C 34a_100011193560_100000210303 [0,1,0,0,0,1|2,0,0]=4 3105 B14R1.786 CCCOc1ccccc1C=C(C)C 271570a_100102525489_100000174042 [0,1,0,0,0,1|2,0,0]=4 3106 B14R1.786 CCCOc1ccccc1NC(=O)C 11a_100000683936_100015343762 [0,1,0,0,0,1|1,0,0]=3 3107 B14R1.786 CCCOc1ccccc1NC(=O)C 1626a_100000683936_100015343762 [0,1,0,0,0,1|1,0,0]=3 3108 B14R1.786 CCCOc1ccccc1NC(=O)C 22a_100000683936_100000070787 [0,1,0,0,0,1|1,0,0]=3 3109 B14R1.786 CCCOc1ccccc1NC(=O)C 34a_100000185124_100000210303 [0,1,0,0,0,1|1,0,0]=3 3110 B14R1.786 CCCOc1ccccc1NC(=O)C 527a_100000683936_100103153847 [0,1,0,0,0,1|1,0,0]=3 3111 B14R1.786 CCCOc1ccccc1NC(=O)C 7a_100000185124_100000210303 [0,1,0,0,0,1|1,0,0]=3 3112 B14R1.786 CCCOc1ccccc1NC(=S)N 7a_200000011649_100000210303 [0,1,0,0,0,1|0,1,0]=3 3113 B14R1.786 CCCOc1cccnc1NC(=O)C 34a_200000022013_100000210303 [0,1,0,0,0,1|2,0,0]=4 3114 B14R1.786 CCCOc1cccnc1NC(=O)C 7a_200000022013_100000210303 [0,1,0,0,0,1|2,0,0]=4 3115 B14R1.786 CCCSc1ccccc1CC(=O)C 62a_100000210303_100011350739 [0,1,0,0,0,1|1,1,0]=4 3116 B14R1.786 CCCSc1ccccc1CC(=O)C 62a_100011350739_100000210303 [0,1,0,0,0,1|1,1,0]=4 3117 B14R1.786 CCCSc1ccccc1CC(=O)N 62a_100000210303_200009814924 [0,1,0,0,0,1|0,1,0]=3 3118 B14R1.786 CCCSc1ccccc1CC(=O)N 62a_200009814924_100000210303 [0,1,0,0,0,1|0,1,0]=3 3119 B14R1.786 CCCSc1ccccc1NC(=O)C 11a_100015184514_100015343762 [0,1,0,0,0,1|1,1,0]=4 3120 B14R1.786 CCCSc1ccccc1NC(=O)C 22a_100015184514_100000070787 [0,1,0,0,0,1|1,1,0]=4 3121 B14R1.786 CCCSc1ccccc1NC(=O)C 62a_100000210303_100000153524 [0,1,0,0,0,1|1,1,0]=4 3122 B14R1.786 CCCSc1ccccc1NC(=O)N 62a_100000210303_100000742221 [0,1,0,0,0,1|0,1,0]=3 3123 B14R1.786 CCCSc1ccccc1OC(=O)C 62a_100000051690_100000210303 [0,1,0,0,0,1|1,1,0]=4 3124 B14R1.786 CCCSc1ccccc1OC(=O)C 62a_100000210303_100000051690 [0,1,0,0,0,1|1,1,0]=4 3125 B14R1.786 CCNCc1ccccc1CC(=O)O 269956a_100000688124_100000210202 [0,1,0,0,0,1|2,0,0]=4 3126 B14R1.786 CCNCc1ccccc1OC(=O)C 270004a_100015525214_100009864558 [0,1,0,0,0,1|2,0,0]=4 3127 B14R1.786 CCOCc1ccccc1C=C(C)C 271570a_100102525489_200011493690 [0,1,0,0,0,1|2,0,0]=4 3128 B14R1.786 CCOCc1ccccc1NC(=O)C 34a_100000192217_100000210202 [0,1,0,0,0,1|1,0,0]=3 3129 B14R1.786 CCOCc1ccccc1NC(=O)C 7a_100000192217_100000210202 [0,1,0,0,0,1|1,0,0]=3 3130 B14R1.786 COCOc1ccccc1C=C(C)C 271570a_100102525489_200000230759 [0,1,0,0,0,1|2,0,0]=4 3131 B14R1.786 COCSc1ccccc1CC(=O)C 62a_100000766300_100011350739 [0,1,0,0,0,1|1,1,0]=4 3132 B14R1.786 COCSc1ccccc1CC(=O)C 62a_100011350739_100000766300 [0,1,0,0,0,1|1,1,0]=4 3133 B14R1.786 COCSc1ccccc1CC(=O)N 62a_100000766300_200009814924 [0,1,0,0,0,1|0,1,0]=3 3134 B14R1.786 COCSc1ccccc1CC(=O)N 62a_200009814924_100000766300 [0,1,0,0,0,1|0,1,0]=3 3135 B14R1.786 COCSc1ccccc1NC(=O)C 62a_100000766300_100000153524 [0,1,0,0,0,1|1,1,0]=4 3136 B14R1.786 COCSc1ccccc1NC(=O)N 62a_100000766300_100000742221 [0,1,0,0,0,1|0,1,0]=3 3137 B14R1.786 COCSc1ccccc1OC(=O)C 62a_100000051690_100000766300 [0,1,0,0,0,1|1,1,0]=4 3138 B14R1.786 COCSc1ccccc1OC(=O)C 62a_100000766300_100000051690 [0,1,0,0,0,1|1,1,0]=4 3139 B14R1.786 CSCNc1ccccc1NC(=O)C 34a_100011193560_100011218213 [0,1,0,0,0,1|2,0,0]=4 3140 B14R1.786 CSCOc1ccccc1NC(=O)C 34a_100000185124_100011218213 [0,1,0,0,0,1|1,0,0]=3 3141 B14R1.786 CSCOc1cccnc1NC(=O)C 34a_200000022013_100011218213 [0,1,0,0,0,1|2,0,0]=4 3142 B14R1.786 CSCSc1ccccc1CC(=O)C 62a_100011218213_100011350739 [0,1,0,0,0,1|1,1,0]=4 3143 B14R1.786 CSCSc1ccccc1CC(=O)C 62a_100011350739_100011218213 [0,1,0,0,0,1|1,1,0]=4 3144 B14R1.786 CSCSc1ccccc1CC(=O)N 62a_100011218213_200009814924 [0,1,0,0,0,1|0,1,0]=3 3145 B14R1.786 CSCSc1ccccc1CC(=O)N 62a_200009814924_100011218213 [0,1,0,0,0,1|0,1,0]=3 3146 B14R1.786 CSCSc1ccccc1NC(=O)C 62a_100011218213_100000153524 [0,1,0,0,0,1|1,1,0]=4 3147 B14R1.786 CSCSc1ccccc1NC(=O)N 62a_100011218213_100000742221 [0,1,0,0,0,1|0,1,0]=3 3148 B14R1.786 CSCSc1ccccc1OC(=O)C 62a_100000051690_100011218213 [0,1,0,0,0,1|1,1,0]=4 3149 B14R1.786 CSCSc1ccccc1OC(=O)C 62a_100011218213_100000051690 [0,1,0,0,0,1|1,1,0]=4 3150 B14R1.786 N#CCOc1ccccc1NC(=S)N 7a_200000011649_100011215382 [0,1,0,0,0,1|0,1,1]=4 3151 B14R1.786 N#CCSc1ccccc1CC(=O)N 62a_100011215382_200009814924 [0,1,0,0,0,1|0,1,1]=4 3152 B14R1.786 N#CCSc1ccccc1CC(=O)N 62a_200009814924_100011215382 [0,1,0,0,0,1|0,1,1]=4 3153 B14R1.786 N#CCSc1ccccc1NC(=O)N 62a_100011215382_100000742221 [0,1,0,0,0,1|0,1,1]=4 3154 B14R1.786 NC(=O)Cc1ccccc1SCC=O 62a_200009814924_200015260668 [0,1,0,0,0,1|0,1,1]=4 3155 B14R1.786 NC(=O)Cc1ccccc1SCC=O 62a_200015260668_200009814924 [0,1,0,0,0,1|0,1,1]=4 3156 B14R1.786 NC(=O)Cc1ccccc1SCCF 62a_100011217306_200009814924 [0,1,0,0,0,1|0,1,0]=3 3157 B14R1.786 NC(=O)Cc1ccccc1SCCF 62a_200009814924_100011217306 [0,1,0,0,0,1|0,1,0]=3 3158 B14R1.786 NC(=O)Cc1ccccc1SCCO 62a_100000211926_200009814924 [0,1,0,0,0,1|0,1,0]=3 3159 B14R1.786 NC(=O)Cc1ccccc1SCCO 62a_200009814924_100000211926 [0,1,0,0,0,1|0,1,0]=3 3160 B14R1.786 NC(=O)Nc1ccccc1SCC=O 62a_200015260668_100000742221 [0,1,0,0,0,1|0,1,1]=4 3161 B14R1.786 NC(=O)Nc1ccccc1SCCF 62a_100011217306_100000742221 [0,1,0,0,0,1|0,1,0]=3 3162 B14R1.786 NC(=O)Nc1ccccc1SCCO 62a_100000211926_100000742221 [0,1,0,0,0,1|0,1,0]=3 3163 B14R1.786 NC(=S)Nc1ccccc1OCC=O 7a_200000011649_200015260668 [0,1,0,0,0,1|0,1,1]=4 3164 B14R1.786 NC(=S)Nc1ccccc1OCCF 7a_200000011649_100011217306 [0,1,0,0,0,1|0,1,0]=3 3165 B14R1.786 NC(=S)Nc1ccccc1OCCO 7a_200000011649_100000211926 [0,1,0,0,0,1|0,1,0]=3 3166 B14R1.814 CC(=Cc1ccccc1CC(=O)N)C 271570a_100102525489_200009814924 [0,1,0,0,0,1|1,0,1]=4 3167 B14R1.814 CC(=Cc1ccccc1NC(=O)N)C 271570a_100102525489_100000742221 [0,1,0,0,0,1|1,0,1]=4 3168 B14R1.814 CC(=Cc1ccccc1OC(C)C)C 271570a_100102525489_100000173919 [0,1,0,0,0,1|2,0,0]=4 3169 B14R1.814 CC(=O)Cc1ccccc1OC(F)F 1458a_100000070787_100000757446 [0,1,0,0,0,1|2,0,0]=4 3170 B14R1.814 CC(=O)Cc1ccccc1OC(F)F 1458a_100000757682_200000210301 [0,1,0,0,0,1|2,0,0]=4 3171 B14R1.814 CC(=O)Cc1ccccc1SC(C)C 62a_100000210206_100011350739 [0,1,0,0,0,1|1,1,0]=4 3172 B14R1.814 CC(=O)Cc1ccccc1SC(C)C 62a_100011350739_100000210206 [0,1,0,0,0,1|1,1,0]=4 3173 B14R1.814 CC(=O)Nc1ccccc1NC(C)C 34a_100011193560_100000210206 [0,1,0,0,0,1|2,0,0]=4 3174 B14R1.814 CC(=O)Nc1ccccc1OC(C)C 11a_100000739276_100015343762 [0,1,0,0,0,1|1,0,0]=3 3175 B14R1.814 CC(=O)Nc1ccccc1OC(C)C 1626a_100000739276_100015343762 [0,1,0,0,0,1|1,0,0]=3 3176 B14R1.814 CC(=O)Nc1ccccc1OC(C)C 22a_100000739276_100000070787 [0,1,0,0,0,1|1,0,0]=3 3177 B14R1.814 CC(=O)Nc1ccccc1OC(C)C 34a_100000185124_100000210206 [0,1,0,0,0,1|1,0,0]=3 3178 B14R1.814 CC(=O)Nc1ccccc1OC(C)C 527a_100000739276_100103153847 [0,1,0,0,0,1|1,0,0]=3 3179 B14R1.814 CC(=O)Nc1ccccc1OC(C)C 7a_100000185124_100000210206 [0,1,0,0,0,1|1,0,0]=3 3180 B14R1.814 CC(=O)Nc1ccccc1OC(F)F 11a_100000182466_100015343762 [0,1,0,0,0,1|2,0,0]=4 3181 B14R1.814 CC(=O)Nc1ccccc1OC(F)F 1626a_100000182466_100015343762 [0,1,0,0,0,1|2,0,0]=4 3182 B14R1.814 CC(=O)Nc1ccccc1OC(F)F 22a_100000182466_100000070787 [0,1,0,0,0,1|2,0,0]=4 3183 B14R1.814 CC(=O)Nc1ccccc1SC(C)C 11a_100000688217_100015343762 [0,1,0,0,0,1|1,1,0]=4 3184 B14R1.814 CC(=O)Nc1ccccc1SC(C)C 1626a_100000688217_100015343762 [0,1,0,0,0,1|1,1,0]=4 3185 B14R1.814 CC(=O)Nc1ccccc1SC(C)C 22a_100000688217_100000070787 [0,1,0,0,0,1|1,1,0]=4 3186 B14R1.814 CC(=O)Nc1ccccc1SC(C)C 62a_100000210206_100000153524 [0,1,0,0,0,1|1,1,0]=4 3187 B14R1.814 CC(=O)Nc1ncccc1OC(C)C 34a_200000022013_100000210206 [0,1,0,0,0,1|2,0,0]=4 3188 B14R1.814 CC(=O)Nc1ncccc1OC(C)C 7a_200000022013_100000210206 [0,1,0,0,0,1|2,0,0]=4 3189 B14R1.814 CC(=O)Oc1ccccc1SC(C)C 62a_100000051690_100000210206 [0,1,0,0,0,1|1,1,0]=4 3190 B14R1.814 CC(=O)Oc1ccccc1SC(C)C 62a_100000210206_100000051690 [0,1,0,0,0,1|1,1,0]=4 3191 B14R1.814 CC(C)Oc1ccccc1NC(=S)N 7a_200000011649_100000210206 [0,1,0,0,0,1|0,1,0]=3 3192 B14R1.814 CC(C)Sc1ccccc1CC(=O)N 62a_100000210206_200009814924 [0,1,0,0,0,1|0,1,0]=3 3193 B14R1.814 CC(C)Sc1ccccc1CC(=O)N 62a_200009814924_100000210206 [0,1,0,0,0,1|0,1,0]=3 3194 B14R1.814 CC(C)Sc1ccccc1NC(=O)N 62a_100000210206_100000742221 [0,1,0,0,0,1|0,1,0]=3 3195 B14R1.814 [13CH3]C(=O)Cc1ccccc1OC(F)F 1458a_100000757682_200025704644 [0,1,0,0,0,1|2,0,0]=4 3196 B14R1.5090 CC=Cc1c(cccc1CC(=O)N)C 271570a_100016259895_100011096275 [0,1,0,0,0,1|1,0,1]=4 3197 B14R1.5090 CCOc1c(cccc1C=C(C)C)F 271570a_100102525489_100010232518 [0,1,0,0,0,1|2,0,0]=4 3198 B14R1.5090 CCOc1c(cccc1NC(=O)C)Cl 11a_100000744310_100015343762 [0,1,0,0,0,1|1,0,0]=3 3199 B14R1.5090 CCOc1c(cccc1NC(=O)C)Cl 1626a_100000744310_100015343762 [0,1,0,0,0,1|1,0,0]=3 3200 B14R1.5090 CCOc1c(cccc1NC(=O)C)Cl 22a_100000744310_100000070787 [0,1,0,0,0,1|1,0,0]=3 3201 B14R1.5090 CCOc1c(cccc1NC(=O)C)Cl 527a_100000744310_100103153847 [0,1,0,0,0,1|1,0,0]=3 3202 B14R1.5090 CCSc1c(cccc1CC(=O)N)C 62a_100000210202_100011096275 [0,1,0,0,0,1|0,1,0]=3 3203 B14R1.5090 CCSc1c(cccc1CC(=O)N)C 62a_100011096275_100000210202 [0,1,0,0,0,1|0,1,0]=3 3204 B14R1.5090 Cc1cccc(c1SCF)CC(=O)N 62a_100011096275_100015361967 [0,1,0,0,0,1|1,1,0]=4 3205 B14R1.5090 Cc1cccc(c1SCF)CC(=O)N 62a_100015361967_100011096275 [0,1,0,0,0,1|1,1,0]=4 3206 B14R1.5098 CC(=O)Nc1c(cccc1OCF)C 34a_100000103797_100015361967 [0,1,0,0,0,1|2,0,0]=4 3207 B14R1.5098 CC(=O)Nc1c(cccc1OCF)C 7a_100000103797_100015361967 [0,1,0,0,0,1|2,0,0]=4 3208 B14R1.5098 CCOc1cccc(c1NC(=O)C)Br 11a_200103155331_100015343762 [0,1,0,0,0,1|1,0,0]=3 3209 B14R1.5098 CCOc1cccc(c1NC(=O)C)Br 1626a_200103155331_100015343762 [0,1,0,0,0,1|1,0,0]=3 3210 B14R1.5098 CCOc1cccc(c1NC(=O)C)C 34a_100000103797_100000210202 [0,1,0,0,0,1|1,0,0]=3 3211 B14R1.5098 CCOc1cccc(c1NC(=O)C)C 7a_100000103797_100000210202 [0,1,0,0,0,1|1,0,0]=3 3212 B14R1.5098 CCOc1cccc(c1NC(=O)C)Cl 11a_100012284057_100015343762 [0,1,0,0,0,1|1,0,0]=3 3213 B14R1.5098 CCOc1cccc(c1NC(=O)C)Cl 1626a_100012284057_100015343762 [0,1,0,0,0,1|1,0,0]=3 3214 B14R1.5098 CCOc1cccc(c1NC(=O)C)Cl 22a_100012284057_100000070787 [0,1,0,0,0,1|1,0,0]=3 3215 B14R1.6721 CC(=O)Cc1cc(ccc1OCF)Br 34a_200010006938_100015361967 [0,1,0,0,0,1|2,0,0]=4 3216 B14R1.6721 CC(=O)Cc1cc(ccc1OCF)Br 7a_200010006938_100015361967 [0,1,0,0,0,1|2,0,0]=4 3217 B14R1.6721 CC(=O)Nc1cc(ccc1OCF)C 34a_100000035807_100015361967 [0,1,0,0,0,1|2,0,0]=4 3218 B14R1.6721 CC(=O)Nc1cc(ccc1OCF)C 7a_100000035807_100015361967 [0,1,0,0,0,1|2,0,0]=4 3219 B14R1.6721 CC(=O)Nc1cc(ccc1OCF)Cl 34a_100000012038_100015361967 [0,1,0,0,0,1|2,0,0]=4 3220 B14R1.6721 CC(=O)Nc1cc(ccc1OCF)Cl 7a_100000012038_100015361967 [0,1,0,0,0,1|2,0,0]=4 3221 B14R1.6721 CC(=O)Nc1cc(ccc1OCF)N 34a_100000070259_100015361967 [0,1,0,0,0,1|2,0,0]=4 3222 B14R1.6721 CC(=O)Nc1cc(ccc1OCF)N 7a_100000070259_100015361967 [0,1,0,0,0,1|2,0,0]=4 3223 B14R1.6721 CCNc1ccc(cc1NC(=O)C)Cl 34a_100000749253_100000210202 [0,1,0,0,0,1|2,0,0]=4 3224 B14R1.6721 CCNc1ccc(cc1NC(=O)C)Cl 7a_100000749253_100000210202 [0,1,0,0,0,1|2,0,0]=4 3225 B14R1.6721 CCOc1ccc(cc1C=C(C)C)C 271570a_100102525489_200000230997 [0,1,0,0,0,1|2,0,0]=4 3226 B14R1.6721 CCOc1ccc(cc1C=C(C)C)F 271570a_100102525489_100000171695 [0,1,0,0,0,1|2,0,0]=4 3227 B14R1.6721 CCOc1ccc(cc1CC(=O)C)Br 34a_200010006938_100000210202 [0,1,0,0,0,1|1,0,0]=3 3228 B14R1.6721 CCOc1ccc(cc1CC(=O)C)Br 7a_200010006938_100000210202 [0,1,0,0,0,1|1,0,0]=3 3229 B14R1.6721 CCOc1ccc(cc1NC(=O)C)Br 11a_100000751366_100015343762 [0,1,0,0,0,1|1,0,0]=3 3230 B14R1.6721 CCOc1ccc(cc1NC(=O)C)Br 1626a_100000751366_100015343762 [0,1,0,0,0,1|1,0,0]=3 3231 B14R1.6721 CCOc1ccc(cc1NC(=O)C)Br 22a_100000751366_100000070787 [0,1,0,0,0,1|1,0,0]=3 3232 B14R1.6721 CCOc1ccc(cc1NC(=O)C)C 11a_100011202655_100015343762 [0,1,0,0,0,1|1,0,0]=3 3233 B14R1.6721 CCOc1ccc(cc1NC(=O)C)C 1626a_100011202655_100015343762 [0,1,0,0,0,1|1,0,0]=3 3234 B14R1.6721 CCOc1ccc(cc1NC(=O)C)C 22a_100011202655_100000070787 [0,1,0,0,0,1|1,0,0]=3 3235 B14R1.6721 CCOc1ccc(cc1NC(=O)C)C 34a_100000035807_100000210202 [0,1,0,0,0,1|1,0,0]=3 3236 B14R1.6721 CCOc1ccc(cc1NC(=O)C)C 7a_100000035807_100000210202 [0,1,0,0,0,1|1,0,0]=3 3237 B14R1.6721 CCOc1ccc(cc1NC(=O)C)Cl 11a_100000742605_100015343762 [0,1,0,0,0,1|1,0,0]=3 3238 B14R1.6721 CCOc1ccc(cc1NC(=O)C)Cl 1626a_100000742605_100015343762 [0,1,0,0,0,1|1,0,0]=3 3239 B14R1.6721 CCOc1ccc(cc1NC(=O)C)Cl 22a_100000742605_100000070787 [0,1,0,0,0,1|1,0,0]=3 3240 B14R1.6721 CCOc1ccc(cc1NC(=O)C)Cl 34a_100000012038_100000210202 [0,1,0,0,0,1|1,0,0]=3 3241 B14R1.6721 CCOc1ccc(cc1NC(=O)C)Cl 7a_100000012038_100000210202 [0,1,0,0,0,1|1,0,0]=3 3242 B14R1.6721 CCOc1ccc(cc1NC(=O)C)N 34a_100000070259_100000210202 [0,1,0,0,0,1|1,0,0]=3 3243 B14R1.6721 CCOc1ccc(cc1NC(=O)C)N 7a_100000070259_100000210202 [0,1,0,0,0,1|1,0,0]=3 3244 B14R1.6721 CCSc1ccc(cc1NC(=O)C)C 62a_100000210202_100000182586 [0,1,0,0,0,1|1,1,0]=4 3245 B14R1.6721 CCSc1ccc(cc1NC(=O)C)Cl 11a_100000752208_100015343762 [0,1,0,0,0,1|1,1,0]=4 3246 B14R1.6721 CCSc1ccc(cc1NC(=O)C)Cl 1626a_100000752208_100015343762 [0,1,0,0,0,1|1,1,0]=4 3247 B14R1.6721 CCSc1ccc(cc1NC(=O)C)Cl 22a_100000752208_100000070787 [0,1,0,0,0,1|1,1,0]=4 3248 B14R1.6721 CCSc1ccc(cc1NC(=O)C)F 62a_100000210202_100012558231 [0,1,0,0,0,1|1,1,0]=4 3249 B14R1.6721 CCSc1ccc(cc1OC(=O)C)F 62a_100000210202_200015685721 [0,1,0,0,0,1|1,1,0]=4 3250 B14R1.6721 CCSc1ccc(cc1OC(=O)C)F 62a_200015685721_100000210202 [0,1,0,0,0,1|1,1,0]=4 3251 B14R1.67 C#CCNc1ccc(cc1C(=O)N)Br 27a_100000212058_200000162314 [0,2,0,0,0,0|1,0,1]=4 3252 B14R1.67 C#CCNc1ccc(cc1C(=O)N)Br 34a_100000740421_100000184674 [0,2,0,0,0,0|1,0,1]=4 3253 B14R1.67 C#CCNc1ccc(cc1C(=O)N)Br 7a_100000740421_100000038162 [0,2,0,0,0,0|1,0,1]=4 3254 B14R1.67 C#CCNc1ccc(cc1C(=O)N)C 34a_100011692829_100000184674 [0,2,0,0,0,0|1,0,1]=4 3255 B14R1.67 C#CCNc1ccc(cc1C(=O)N)Cl 34a_100000743835_100000184674 [0,2,0,0,0,0|1,0,1]=4 3256 B14R1.67 C#CCNc1ccc(cc1C(=O)N)Cl 7a_100000743835_100000038162 [0,2,0,0,0,0|1,0,1]=4 3257 B14R1.67 C#CCNc1ccc(cc1C(=O)N)F 34a_100000741173_100000184674 [0,2,0,0,0,0|1,0,1]=4 3258 B14R1.67 C#CCNc1ccc(cc1C(=O)N)F 7a_100000741173_100000038162 [0,2,0,0,0,0|1,0,1]=4 3259 B14R1.67 C#CCOc1ccc(cc1C(=O)C)Br 34a_100000212127_100000184674 [0,2,0,0,0,0|1,0,1]=4 3260 B14R1.67 C#CCOc1ccc(cc1C(=O)C)Br 7a_100000212127_100000038162 [0,2,0,0,0,0|1,0,1]=4 3261 B14R1.67 C#CCOc1ccc(cc1C(=O)C)C 34a_100000195442_100000184674 [0,2,0,0,0,0|1,0,1]=4 3262 B14R1.67 C#CCOc1ccc(cc1C(=O)C)C 7a_100000195442_100000038162 [0,2,0,0,0,0|1,0,1]=4 3263 B14R1.67 C#CCOc1ccc(cc1C(=O)C)Cl 34a_100000185566_100000184674 [0,2,0,0,0,0|1,0,1]=4 3264 B14R1.67 C#CCOc1ccc(cc1C(=O)C)Cl 7a_100000185566_100000038162 [0,2,0,0,0,0|1,0,1]=4 3265 B14R1.67 C#CCOc1ccc(cc1C(=O)C)F 7a_100000182812_100000038162 [0,2,0,0,0,0|1,0,1]=4 3266 B14R1.67 C#CCOc1ccc(cc1C(=O)C)I 7a_100010712555_100000038162 [0,2,0,0,0,0|1,0,1]=4 3267 B14R1.67 C#CCOc1ccc(cc1C(=O)C)N 34a_100011218865_100000184674 [0,2,0,0,0,0|1,0,1]=4 3268 B14R1.67 C#CCOc1ccc(cc1C(=O)N)Br 34a_100000192807_100000184674 [0,2,0,0,0,0|0,0,1]=3 3269 B14R1.67 C#CCOc1ccc(cc1C(=O)N)Br 7a_100000192807_100000038162 [0,2,0,0,0,0|0,0,1]=3 3270 B14R1.67 C#CCOc1ccc(cc1C(=O)N)C 34a_200000192840_100000184674 [0,2,0,0,0,0|0,0,1]=3 3271 B14R1.67 C#CCOc1ccc(cc1C(=O)N)C 7a_200000192840_100000038162 [0,2,0,0,0,0|0,0,1]=3 3272 B14R1.67 C#CCOc1ccc(cc1C(=O)N)Cl 34a_100000185026_100000184674 [0,2,0,0,0,0|0,0,1]=3 3273 B14R1.67 C#CCOc1ccc(cc1C(=O)N)Cl 7a_100000185026_100000038162 [0,2,0,0,0,0|0,0,1]=3 3274 B14R1.67 C#CCOc1ccc(cc1C(=O)N)F 34a_100012186459_100000184674 [0,2,0,0,0,0|0,0,1]=3 3275 B14R1.67 C#CCOc1ccc(cc1C(=O)N)F 7a_100012186459_100000038162 [0,2,0,0,0,0|0,0,1]=3 3276 B14R1.67 C#CCOc1ccc(cc1C(=O)N)I 34a_100000192813_100000184674 [0,2,0,0,0,0|0,0,1]=3 3277 B14R1.67 C#CCOc1ccc(cc1C(=O)N)I 7a_100000192813_100000038162 [0,2,0,0,0,0|0,0,1]=3 3278 B14R1.67 C#CCSc1ccc(cc1C(=O)N)C 62a_100000038162_200012349609 [0,2,0,0,0,0|0,1,1]=4 3279 B14R1.67 C#CCSc1ccc(cc1C(=O)N)F 62a_100000038162_100000206434 [0,2,0,0,0,0|0,1,1]=4 3280 B14R1.67 C=C(C)c1cc(ccc1OCCC)F 271570a_100000694244_200000171698 [0,2,0,0,0,0|2,0,0]=4 3281 B14R1.67 C=C(C)c1cc(ccc1OCCN)C 271570a_100000694244_100025744979 [0,2,0,0,0,0|2,0,0]=4 3282 B14R1.67 C=C(C)c1cc(ccc1OCOC)C 271570a_100000694244_100012265689 [0,2,0,0,0,0|2,0,0]=4 3283 B14R1.67 C=CCNc1ccc(cc1C(=O)N)Br 27a_100020586998_200000162314 [0,2,0,0,0,0|1,0,1]=4 3284 B14R1.67 C=CCNc1ccc(cc1C(=O)N)Br 34a_100000740421_100015514636 [0,2,0,0,0,0|1,0,1]=4 3285 B14R1.67 C=CCNc1ccc(cc1C(=O)N)Br 7a_100000740421_100015514636 [0,2,0,0,0,0|1,0,1]=4 3286 B14R1.67 C=CCNc1ccc(cc1C(=O)N)C 34a_100011692829_100015514636 [0,2,0,0,0,0|1,0,1]=4 3287 B14R1.67 C=CCNc1ccc(cc1C(=O)N)Cl 34a_100000743835_100015514636 [0,2,0,0,0,0|1,0,1]=4 3288 B14R1.67 C=CCNc1ccc(cc1C(=O)N)Cl 7a_100000743835_100015514636 [0,2,0,0,0,0|1,0,1]=4 3289 B14R1.67 C=CCNc1ccc(cc1C(=O)N)F 34a_100000741173_100015514636 [0,2,0,0,0,0|1,0,1]=4 3290 B14R1.67 C=CCNc1ccc(cc1C(=O)N)F 7a_100000741173_100015514636 [0,2,0,0,0,0|1,0,1]=4 3291 B14R1.67 C=CCOc1ccc(cc1C(=O)C)Br 34a_100000212127_100015514636 [0,2,0,0,0,0|1,0,1]=4 3292 B14R1.67 C=CCOc1ccc(cc1C(=O)C)Br 7a_100000212127_100015514636 [0,2,0,0,0,0|1,0,1]=4 3293 B14R1.67 C=CCOc1ccc(cc1C(=O)C)C 34a_100000195442_100015514636 [0,2,0,0,0,0|1,0,1]=4 3294 B14R1.67 C=CCOc1ccc(cc1C(=O)C)C 7a_100000195442_100015514636 [0,2,0,0,0,0|1,0,1]=4 3295 B14R1.67 C=CCOc1ccc(cc1C(=O)C)Cl 34a_100000185566_100015514636 [0,2,0,0,0,0|1,0,1]=4 3296 B14R1.67 C=CCOc1ccc(cc1C(=O)C)Cl 7a_100000185566_100015514636 [0,2,0,0,0,0|1,0,1]=4 3297 B14R1.67 C=CCOc1ccc(cc1C(=O)C)F 7a_100000182812_100015514636 [0,2,0,0,0,0|1,0,1]=4 3298 B14R1.67 C=CCOc1ccc(cc1C(=O)C)I 7a_100010712555_100015514636 [0,2,0,0,0,0|1,0,1]=4 3299 B14R1.67 C=CCOc1ccc(cc1C(=O)C)N 34a_100011218865_100015514636 [0,2,0,0,0,0|1,0,1]=4 3300 B14R1.67 C=CCOc1ccc(cc1C(=O)N)Br 34a_100000192807_100015514636 [0,2,0,0,0,0|0,0,1]=3 3301 B14R1.67 C=CCOc1ccc(cc1C(=O)N)Br 7a_100000192807_100015514636 [0,2,0,0,0,0|0,0,1]=3 3302 B14R1.67 C=CCOc1ccc(cc1C(=O)N)C 34a_200000192840_100015514636 [0,2,0,0,0,0|0,0,1]=3 3303 B14R1.67 C=CCOc1ccc(cc1C(=O)N)C 7a_200000192840_100015514636 [0,2,0,0,0,0|0,0,1]=3 3304 B14R1.67 C=CCOc1ccc(cc1C(=O)N)Cl 34a_100000185026_100015514636 [0,2,0,0,0,0|0,0,1]=3 3305 B14R1.67 C=CCOc1ccc(cc1C(=O)N)Cl 7a_100000185026_100015514636 [0,2,0,0,0,0|0,0,1]=3 3306 B14R1.67 C=CCOc1ccc(cc1C(=O)N)F 34a_100012186459_100015514636 [0,2,0,0,0,0|0,0,1]=3 3307 B14R1.67 C=CCOc1ccc(cc1C(=O)N)F 7a_100012186459_100015514636 [0,2,0,0,0,0|0,0,1]=3 3308 B14R1.67 C=CCOc1ccc(cc1C(=O)N)I 34a_100000192813_100015514636 [0,2,0,0,0,0|0,0,1]=3 3309 B14R1.67 C=CCOc1ccc(cc1C(=O)N)I 7a_100000192813_100015514636 [0,2,0,0,0,0|0,0,1]=3 3310 B14R1.67 C=CCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100000210623 [0,2,0,0,0,0|0,1,1]=4 3311 B14R1.67 C=CCSc1ccc(cc1C(=O)N)C 62a_100000210623_200012349609 [0,2,0,0,0,0|0,1,1]=4 3312 B14R1.67 C=CCSc1ccc(cc1C(=O)N)C 62a_200012349609_100000210623 [0,2,0,0,0,0|0,1,1]=4 3313 B14R1.67 C=CCSc1ccc(cc1C(=O)N)F 62a_100000206434_100000210623 [0,2,0,0,0,0|0,1,1]=4 3314 B14R1.67 C=CCSc1ccc(cc1C(=O)N)F 62a_100000210623_100000206434 [0,2,0,0,0,0|0,1,1]=4 3315 B14R1.67 C=CCSc1ccc(cc1C(=O)N)N 62a_100015186447_100000210623 [0,2,0,0,0,0|0,1,1]=4 3316 B14R1.67 CC(=O)c1cc(ccc1OCC#N)Br 7a_100000212127_100011215382 [0,2,0,0,0,0|1,0,1]=4 3317 B14R1.67 CC(=O)c1cc(ccc1OCC#N)C 7a_100000195442_100011215382 [0,2,0,0,0,0|1,0,1]=4 3318 B14R1.67 CC(=O)c1cc(ccc1OCC#N)Cl 7a_100000185566_100011215382 [0,2,0,0,0,0|1,0,1]=4 3319 B14R1.67 CC(=O)c1cc(ccc1OCC#N)F 7a_100000182812_100011215382 [0,2,0,0,0,0|1,0,1]=4 3320 B14R1.67 CC(=O)c1cc(ccc1OCC#N)I 7a_100010712555_100011215382 [0,2,0,0,0,0|1,0,1]=4 3321 B14R1.67 CC(=O)c1cc(ccc1OCC=O)Br 34a_100000212127_200009817547 [0,2,0,0,0,0|1,0,1]=4 3322 B14R1.67 CC(=O)c1cc(ccc1OCC=O)Br 7a_100000212127_200015260668 [0,2,0,0,0,0|1,0,1]=4 3323 B14R1.67 CC(=O)c1cc(ccc1OCC=O)C 34a_100000195442_200009817547 [0,2,0,0,0,0|1,0,1]=4 3324 B14R1.67 CC(=O)c1cc(ccc1OCC=O)C 7a_100000195442_200015260668 [0,2,0,0,0,0|1,0,1]=4 3325 B14R1.67 CC(=O)c1cc(ccc1OCC=O)Cl 34a_100000185566_200009817547 [0,2,0,0,0,0|1,0,1]=4 3326 B14R1.67 CC(=O)c1cc(ccc1OCC=O)Cl 7a_100000185566_200015260668 [0,2,0,0,0,0|1,0,1]=4 3327 B14R1.67 CC(=O)c1cc(ccc1OCC=O)F 7a_100000182812_200015260668 [0,2,0,0,0,0|1,0,1]=4 3328 B14R1.67 CC(=O)c1cc(ccc1OCC=O)I 7a_100010712555_200015260668 [0,2,0,0,0,0|1,0,1]=4 3329 B14R1.67 CC(=O)c1cc(ccc1OCC=O)N 34a_100011218865_200009817547 [0,2,0,0,0,0|1,0,1]=4 3330 B14R1.67 CC(=O)c1cc(ccc1OCCF)Br 34a_100000212127_100011217306 [0,2,0,0,0,0|1,0,0]=3 3331 B14R1.67 CC(=O)c1cc(ccc1OCCF)Br 7a_100000212127_100011217306 [0,2,0,0,0,0|1,0,0]=3 3332 B14R1.67 CC(=O)c1cc(ccc1OCCF)C 34a_100000195442_100011217306 [0,2,0,0,0,0|1,0,0]=3 3333 B14R1.67 CC(=O)c1cc(ccc1OCCF)C 7a_100000195442_100011217306 [0,2,0,0,0,0|1,0,0]=3 3334 B14R1.67 CC(=O)c1cc(ccc1OCCF)Cl 1458a_100012568980_200000210301 [0,2,0,0,0,0|1,0,0]=3 3335 B14R1.67 CC(=O)c1cc(ccc1OCCF)Cl 34a_100000185566_100011217306 [0,2,0,0,0,0|1,0,0]=3 3336 B14R1.67 CC(=O)c1cc(ccc1OCCF)Cl 7a_100000185566_100011217306 [0,2,0,0,0,0|1,0,0]=3 3337 B14R1.67 CC(=O)c1cc(ccc1OCCF)F 7a_100000182812_100011217306 [0,2,0,0,0,0|1,0,0]=3 3338 B14R1.67 CC(=O)c1cc(ccc1OCCF)I 7a_100010712555_100011217306 [0,2,0,0,0,0|1,0,0]=3 3339 B14R1.67 CC(=O)c1cc(ccc1OCCF)N 34a_100011218865_100011217306 [0,2,0,0,0,0|1,0,0]=3 3340 B14R1.67 CC(=O)c1cc(ccc1OCCO)Br 34a_100000212127_100000211926 [0,2,0,0,0,0|1,0,0]=3 3341 B14R1.67 CC(=O)c1cc(ccc1OCCO)Br 7a_100000212127_100000211926 [0,2,0,0,0,0|1,0,0]=3 3342 B14R1.67 CC(=O)c1cc(ccc1OCCO)C 34a_100000195442_100000211926 [0,2,0,0,0,0|1,0,0]=3 3343 B14R1.67 CC(=O)c1cc(ccc1OCCO)C 7a_100000195442_100000211926 [0,2,0,0,0,0|1,0,0]=3 3344 B14R1.67 CC(=O)c1cc(ccc1OCCO)Cl 34a_100000185566_100000211926 [0,2,0,0,0,0|1,0,0]=3 3345 B14R1.67 CC(=O)c1cc(ccc1OCCO)Cl 7a_100000185566_100000211926 [0,2,0,0,0,0|1,0,0]=3 3346 B14R1.67 CC(=O)c1cc(ccc1OCCO)F 7a_100000182812_100000211926 [0,2,0,0,0,0|1,0,0]=3 3347 B14R1.67 CC(=O)c1cc(ccc1OCCO)I 7a_100010712555_100000211926 [0,2,0,0,0,0|1,0,0]=3 3348 B14R1.67 CC(=O)c1cc(ccc1OCCO)N 34a_100011218865_100000211926 [0,2,0,0,0,0|1,0,0]=3 3349 B14R1.67 CC(=O)c1cc(ccc1SCCF)Br 62a_100012349576_100011217306 [0,2,0,0,0,0|1,1,0]=4 3350 B14R1.67 CC(=O)c1cc(ccc1SCCF)C 62a_100011217306_100012361225 [0,2,0,0,0,0|1,1,0]=4 3351 B14R1.67 CC(=O)c1cc(ccc1SCCF)C 62a_100012361225_100011217306 [0,2,0,0,0,0|1,1,0]=4 3352 B14R1.67 CC(=O)c1cc(ccc1SCCF)F 62a_100011217306_100010200798 [0,2,0,0,0,0|1,1,0]=4 3353 B14R1.67 CC(=O)c1cc(ccc1SCCF)F 62a_100012353695_100011217306 [0,2,0,0,0,0|1,1,0]=4 3354 B14R1.67 CC(=O)c1cc(ccc1SCCF)N 62a_100012349454_100011217306 [0,2,0,0,0,0|1,1,0]=4 3355 B14R1.67 CC(=O)c1cc(ccc1SCCO)Br 62a_100012349576_100000211926 [0,2,0,0,0,0|1,1,0]=4 3356 B14R1.67 CC(=O)c1cc(ccc1SCCO)C 62a_100000211926_100012361225 [0,2,0,0,0,0|1,1,0]=4 3357 B14R1.67 CC(=O)c1cc(ccc1SCCO)C 62a_100012361225_100000211926 [0,2,0,0,0,0|1,1,0]=4 3358 B14R1.67 CC(=O)c1cc(ccc1SCCO)F 62a_100000211926_100010200798 [0,2,0,0,0,0|1,1,0]=4 3359 B14R1.67 CC(=O)c1cc(ccc1SCCO)F 62a_100012353695_100000211926 [0,2,0,0,0,0|1,1,0]=4 3360 B14R1.67 CC(=O)c1cc(ccc1SCCO)N 62a_100012349454_100000211926 [0,2,0,0,0,0|1,1,0]=4 3361 B14R1.67 CCCCc1ccc(cc1C(=O)C)Br 271570a_100020621405_100012349576 [0,2,0,0,0,0|2,0,0]=4 3362 B14R1.67 CCCCc1ccc(cc1C(=O)C)C 271570a_100020621405_100012361225 [0,2,0,0,0,0|2,0,0]=4 3363 B14R1.67 CCCCc1ccc(cc1C(=O)C)F 271570a_100020621405_100012353695 [0,2,0,0,0,0|2,0,0]=4 3364 B14R1.67 CCCCc1ccc(cc1C(=O)C)N 271570a_100020621405_100012349454 [0,2,0,0,0,0|2,0,0]=4 3365 B14R1.67 CCCCc1ccc(cc1C(=O)N)Br 271570a_100020621405_200000162314 [0,2,0,0,0,0|1,0,0]=3 3366 B14R1.67 CCCCc1ccc(cc1C(=O)N)C 271570a_100020621405_200012349609 [0,2,0,0,0,0|1,0,0]=3 3367 B14R1.67 CCCCc1ccc(cc1C(=O)N)F 271570a_100020621405_100000206434 [0,2,0,0,0,0|1,0,0]=3 3368 B14R1.67 CCCCc1ccc(cc1C(=O)N)N 271570a_100020621405_100015186447 [0,2,0,0,0,0|1,0,0]=3 3369 B14R1.67 CCCCc1ncc(cc1C(=O)N)F 271570a_100020621405_100012183597 [0,2,0,0,0,0|2,0,0]=4 3370 B14R1.67 CCCNc1ccc(cc1C(=O)N)Br 34a_100000740421_100000210303 [0,2,0,0,0,0|1,0,0]=3 3371 B14R1.67 CCCNc1ccc(cc1C(=O)N)Br 7a_100000740421_100000210303 [0,2,0,0,0,0|1,0,0]=3 3372 B14R1.67 CCCNc1ccc(cc1C(=O)N)C 34a_100011692829_100000210303 [0,2,0,0,0,0|1,0,0]=3 3373 B14R1.67 CCCNc1ccc(cc1C(=O)N)Cl 34a_100000743835_100000210303 [0,2,0,0,0,0|1,0,0]=3 3374 B14R1.67 CCCNc1ccc(cc1C(=O)N)Cl 7a_100000743835_100000210303 [0,2,0,0,0,0|1,0,0]=3 3375 B14R1.67 CCCNc1ccc(cc1C(=O)N)F 34a_100000741173_100000210303 [0,2,0,0,0,0|1,0,0]=3 3376 B14R1.67 CCCNc1ccc(cc1C(=O)N)F 7a_100000741173_100000210303 [0,2,0,0,0,0|1,0,0]=3 3377 B14R1.67 CCCOc1ccc(cc1C(=O)C)Br 1458a_200000215689_200000210301 [0,2,0,0,0,0|1,0,0]=3 3378 B14R1.67 CCCOc1ccc(cc1C(=O)C)Br 34a_100000212127_100000210303 [0,2,0,0,0,0|1,0,0]=3 3379 B14R1.67 CCCOc1ccc(cc1C(=O)C)Br 7a_100000212127_100000210303 [0,2,0,0,0,0|1,0,0]=3 3380 B14R1.67 CCCOc1ccc(cc1C(=O)C)C 34a_100000195442_100000210303 [0,2,0,0,0,0|1,0,0]=3 3381 B14R1.67 CCCOc1ccc(cc1C(=O)C)C 7a_100000195442_100000210303 [0,2,0,0,0,0|1,0,0]=3 3382 B14R1.67 CCCOc1ccc(cc1C(=O)C)Cl 1458a_100000215691_200000210301 [0,2,0,0,0,0|1,0,0]=3 3383 B14R1.67 CCCOc1ccc(cc1C(=O)C)Cl 34a_100000185566_100000210303 [0,2,0,0,0,0|1,0,0]=3 3384 B14R1.67 CCCOc1ccc(cc1C(=O)C)Cl 7a_100000185566_100000210303 [0,2,0,0,0,0|1,0,0]=3 3385 B14R1.67 CCCOc1ccc(cc1C(=O)C)F 7a_100000182812_100000210303 [0,2,0,0,0,0|1,0,0]=3 3386 B14R1.67 CCCOc1ccc(cc1C(=O)C)I 7a_100010712555_100000210303 [0,2,0,0,0,0|1,0,0]=3 3387 B14R1.67 CCCOc1ccc(cc1C(=O)C)N 34a_100011218865_100000210303 [0,2,0,0,0,0|1,0,0]=3 3388 B14R1.67 CCCOc1ccc(cc1C(=O)N)Br 34a_100000192807_100000210303 [0,2,0,0,0,0|0,0,0]=2 3389 B14R1.67 CCCOc1ccc(cc1C(=O)N)Br 7a_100000192807_100000210303 [0,2,0,0,0,0|0,0,0]=2 3390 B14R1.67 CCCOc1ccc(cc1C(=O)N)C 34a_200000192840_100000210303 [0,2,0,0,0,0|0,0,0]=2 3391 B14R1.67 CCCOc1ccc(cc1C(=O)N)C 7a_200000192840_100000210303 [0,2,0,0,0,0|0,0,0]=2 3392 B14R1.67 CCCOc1ccc(cc1C(=O)N)Cl 34a_100000185026_100000210303 [0,2,0,0,0,0|0,0,0]=2 3393 B14R1.67 CCCOc1ccc(cc1C(=O)N)Cl 7a_100000185026_100000210303 [0,2,0,0,0,0|0,0,0]=2 3394 B14R1.67 CCCOc1ccc(cc1C(=O)N)F 34a_100012186459_100000210303 [0,2,0,0,0,0|0,0,0]=2 3395 B14R1.67 CCCOc1ccc(cc1C(=O)N)F 7a_100012186459_100000210303 [0,2,0,0,0,0|0,0,0]=2 3396 B14R1.67 CCCOc1ccc(cc1C(=O)N)I 34a_100000192813_100000210303 [0,2,0,0,0,0|0,0,0]=2 3397 B14R1.67 CCCOc1ccc(cc1C(=O)N)I 7a_100000192813_100000210303 [0,2,0,0,0,0|0,0,0]=2 3398 B14R1.67 CCCOc1ccc(cc1C(=O)[13CH3])Br 1458a_200000215689_200025704644 [0,2,0,0,0,0|1,0,0]=3 3399 B14R1.67 CCCOc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000215691_200025704644 [0,2,0,0,0,0|1,0,0]=3 3400 B14R1.67 CCCOc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_100000210303 [0,2,0,0,0,0|1,0,1]=4 3401 B14R1.67 CCCOc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_100000210303 [0,2,0,0,0,0|1,0,1]=4 3402 B14R1.67 CCCOc1ccc(cc1[C@H](C)N)F 34a_100160469477_100000210303 [0,2,0,0,0,0|1,0,1]=4 3403 B14R1.67 CCCOc1ccc(cc1[C@H](C)N)F 7a_100160469477_100000210303 [0,2,0,0,0,0|1,0,1]=4 3404 B14R1.67 CCCOc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_100000210303 [0,2,0,0,0,0|2,0,0]=4 3405 B14R1.67 CCCOc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_100000210303 [0,2,0,0,0,0|2,0,0]=4 3406 B14R1.67 CCCOc1ccc(cc1[N+](=O)[O-])C 34a_100000195567_100000210303 [0,2,0,0,0,0|2,0,0]=4 3407 B14R1.67 CCCOc1ccc(cc1[N+](=O)[O-])C 7a_100000195567_100000210303 [0,2,0,0,0,0|2,0,0]=4 3408 B14R1.67 CCCOc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_100000210303 [0,2,0,0,0,0|2,0,0]=4 3409 B14R1.67 CCCOc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_100000210303 [0,2,0,0,0,0|2,0,0]=4 3410 B14R1.67 CCCOc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_100000210303 [0,2,0,0,0,0|2,0,0]=4 3411 B14R1.67 CCCOc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_100000210303 [0,2,0,0,0,0|2,0,0]=4 3412 B14R1.67 CCCOc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_100000210303 [0,2,0,0,0,0|2,0,0]=4 3413 B14R1.67 CCCOc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_100000210303 [0,2,0,0,0,0|2,0,0]=4 3414 B14R1.67 CCCOc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_100000210303 [0,2,0,0,0,0|2,0,0]=4 3415 B14R1.67 CCCSc1ccc(cc1C(=O)C)Br 62a_100012349576_100000210303 [0,2,0,0,0,0|1,1,0]=4 3416 B14R1.67 CCCSc1ccc(cc1C(=O)C)C 62a_100000210303_100012361225 [0,2,0,0,0,0|1,1,0]=4 3417 B14R1.67 CCCSc1ccc(cc1C(=O)C)C 62a_100012361225_100000210303 [0,2,0,0,0,0|1,1,0]=4 3418 B14R1.67 CCCSc1ccc(cc1C(=O)C)F 62a_100000210303_100010200798 [0,2,0,0,0,0|1,1,0]=4 3419 B14R1.67 CCCSc1ccc(cc1C(=O)C)F 62a_100012353695_100000210303 [0,2,0,0,0,0|1,1,0]=4 3420 B14R1.67 CCCSc1ccc(cc1C(=O)C)N 62a_100012349454_100000210303 [0,2,0,0,0,0|1,1,0]=4 3421 B14R1.67 CCCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100000210303 [0,2,0,0,0,0|0,1,0]=3 3422 B14R1.67 CCCSc1ccc(cc1C(=O)N)C 62a_100000210303_200012349609 [0,2,0,0,0,0|0,1,0]=3 3423 B14R1.67 CCCSc1ccc(cc1C(=O)N)C 62a_200012349609_100000210303 [0,2,0,0,0,0|0,1,0]=3 3424 B14R1.67 CCCSc1ccc(cc1C(=O)N)F 62a_100000206434_100000210303 [0,2,0,0,0,0|0,1,0]=3 3425 B14R1.67 CCCSc1ccc(cc1C(=O)N)F 62a_100000210303_100000206434 [0,2,0,0,0,0|0,1,0]=3 3426 B14R1.67 CCCSc1ccc(cc1C(=O)N)N 62a_100015186447_100000210303 [0,2,0,0,0,0|0,1,0]=3 3427 B14R1.67 CCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210303 [0,2,0,0,0,0|1,1,0]=4 3428 B14R1.67 CCCSc1ncc(cc1C(=O)N)F 62a_100000210303_100012183597 [0,2,0,0,0,0|1,1,0]=4 3429 B14R1.67 CCCSc1ncc(cc1C(=O)N)F 62a_100012183597_100000210303 [0,2,0,0,0,0|1,1,0]=4 3430 B14R1.67 CCOCc1ccc(cc1[N+](=O)[O-])Br 34a_100121572206_100012353686 [0,2,0,0,0,0|2,0,0]=4 3431 B14R1.67 CCOCc1ccc(cc1[N+](=O)[O-])Br 7a_100012353685_100000210202 [0,2,0,0,0,0|2,0,0]=4 3432 B14R1.67 CCOCc1ccc(cc1[N+](=O)[O-])C 34a_100121572206_200009879986 [0,2,0,0,0,0|2,0,0]=4 3433 B14R1.67 CCOCc1ccc(cc1[N+](=O)[O-])C 7a_100000087798_100000210202 [0,2,0,0,0,0|2,0,0]=4 3434 B14R1.67 CCOCc1ccc(cc1[N+](=O)[O-])Cl 34a_100121572206_100000748067 [0,2,0,0,0,0|2,0,0]=4 3435 B14R1.67 CCOCc1ccc(cc1[N+](=O)[O-])Cl 7a_100011219603_100000210202 [0,2,0,0,0,0|2,0,0]=4 3436 B14R1.67 CCOCc1ccc(cc1[N+](=O)[O-])F 34a_100000085351_100000210202 [0,2,0,0,0,0|2,0,0]=4 3437 B14R1.67 CCOCc1ccc(cc1[N+](=O)[O-])F 34a_100121572206_100012145688 [0,2,0,0,0,0|2,0,0]=4 3438 B14R1.67 CCOCc1ccc(cc1[N+](=O)[O-])F 7a_100000085351_100000210202 [0,2,0,0,0,0|2,0,0]=4 3439 B14R1.67 CCOCc1ccc(cc1[N+](=O)[O-])I 34a_100121572206_200010171343 [0,2,0,0,0,0|2,0,0]=4 3440 B14R1.67 CCOCc1ccc(cc1[N+](=O)[O-])I 7a_200000049922_100000210202 [0,2,0,0,0,0|2,0,0]=4 3441 B14R1.67 COCSc1ccc(cc1C(=O)C)Br 62a_100012349576_100000766300 [0,2,0,0,0,0|1,1,0]=4 3442 B14R1.67 COCSc1ccc(cc1C(=O)C)C 62a_100000766300_100012361225 [0,2,0,0,0,0|1,1,0]=4 3443 B14R1.67 COCSc1ccc(cc1C(=O)C)C 62a_100012361225_100000766300 [0,2,0,0,0,0|1,1,0]=4 3444 B14R1.67 COCSc1ccc(cc1C(=O)C)F 62a_100000766300_100010200798 [0,2,0,0,0,0|1,1,0]=4 3445 B14R1.67 COCSc1ccc(cc1C(=O)C)F 62a_100012353695_100000766300 [0,2,0,0,0,0|1,1,0]=4 3446 B14R1.67 COCSc1ccc(cc1C(=O)C)N 62a_100012349454_100000766300 [0,2,0,0,0,0|1,1,0]=4 3447 B14R1.67 COCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100000766300 [0,2,0,0,0,0|0,1,0]=3 3448 B14R1.67 COCSc1ccc(cc1C(=O)N)C 62a_100000766300_200012349609 [0,2,0,0,0,0|0,1,0]=3 3449 B14R1.67 COCSc1ccc(cc1C(=O)N)C 62a_200012349609_100000766300 [0,2,0,0,0,0|0,1,0]=3 3450 B14R1.67 COCSc1ccc(cc1C(=O)N)F 62a_100000206434_100000766300 [0,2,0,0,0,0|0,1,0]=3 3451 B14R1.67 COCSc1ccc(cc1C(=O)N)F 62a_100000766300_100000206434 [0,2,0,0,0,0|0,1,0]=3 3452 B14R1.67 COCSc1ccc(cc1C(=O)N)N 62a_100015186447_100000766300 [0,2,0,0,0,0|0,1,0]=3 3453 B14R1.67 COCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000766300 [0,2,0,0,0,0|1,1,0]=4 3454 B14R1.67 COCSc1ncc(cc1C(=O)N)F 62a_100000766300_100012183597 [0,2,0,0,0,0|1,1,0]=4 3455 B14R1.67 COCSc1ncc(cc1C(=O)N)F 62a_100012183597_100000766300 [0,2,0,0,0,0|1,1,0]=4 3456 B14R1.67 CSCNc1ccc(cc1C(=O)N)Br 34a_100000740421_100011218213 [0,2,0,0,0,0|1,0,0]=3 3457 B14R1.67 CSCNc1ccc(cc1C(=O)N)C 34a_100011692829_100011218213 [0,2,0,0,0,0|1,0,0]=3 3458 B14R1.67 CSCNc1ccc(cc1C(=O)N)Cl 34a_100000743835_100011218213 [0,2,0,0,0,0|1,0,0]=3 3459 B14R1.67 CSCNc1ccc(cc1C(=O)N)F 34a_100000741173_100011218213 [0,2,0,0,0,0|1,0,0]=3 3460 B14R1.67 CSCOc1ccc(cc1C(=O)C)Br 34a_100000212127_100011218213 [0,2,0,0,0,0|1,0,0]=3 3461 B14R1.67 CSCOc1ccc(cc1C(=O)C)C 34a_100000195442_100011218213 [0,2,0,0,0,0|1,0,0]=3 3462 B14R1.67 CSCOc1ccc(cc1C(=O)C)Cl 34a_100000185566_100011218213 [0,2,0,0,0,0|1,0,0]=3 3463 B14R1.67 CSCOc1ccc(cc1C(=O)C)N 34a_100011218865_100011218213 [0,2,0,0,0,0|1,0,0]=3 3464 B14R1.67 CSCOc1ccc(cc1C(=O)N)Br 34a_100000192807_100011218213 [0,2,0,0,0,0|0,0,0]=2 3465 B14R1.67 CSCOc1ccc(cc1C(=O)N)C 34a_200000192840_100011218213 [0,2,0,0,0,0|0,0,0]=2 3466 B14R1.67 CSCOc1ccc(cc1C(=O)N)Cl 34a_100000185026_100011218213 [0,2,0,0,0,0|0,0,0]=2 3467 B14R1.67 CSCOc1ccc(cc1C(=O)N)F 34a_100012186459_100011218213 [0,2,0,0,0,0|0,0,0]=2 3468 B14R1.67 CSCOc1ccc(cc1C(=O)N)I 34a_100000192813_100011218213 [0,2,0,0,0,0|0,0,0]=2 3469 B14R1.67 CSCOc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_100011218213 [0,2,0,0,0,0|1,0,1]=4 3470 B14R1.67 CSCOc1ccc(cc1[C@H](C)N)F 34a_100160469477_100011218213 [0,2,0,0,0,0|1,0,1]=4 3471 B14R1.67 CSCOc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_100011218213 [0,2,0,0,0,0|2,0,0]=4 3472 B14R1.67 CSCOc1ccc(cc1[N+](=O)[O-])C 34a_100000195567_100011218213 [0,2,0,0,0,0|2,0,0]=4 3473 B14R1.67 CSCOc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_100011218213 [0,2,0,0,0,0|2,0,0]=4 3474 B14R1.67 CSCOc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_100011218213 [0,2,0,0,0,0|2,0,0]=4 3475 B14R1.67 CSCOc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_100011218213 [0,2,0,0,0,0|2,0,0]=4 3476 B14R1.67 CSCSc1ccc(cc1C(=O)C)Br 62a_100012349576_100011218213 [0,2,0,0,0,0|1,1,0]=4 3477 B14R1.67 CSCSc1ccc(cc1C(=O)C)C 62a_100011218213_100012361225 [0,2,0,0,0,0|1,1,0]=4 3478 B14R1.67 CSCSc1ccc(cc1C(=O)C)C 62a_100012361225_100011218213 [0,2,0,0,0,0|1,1,0]=4 3479 B14R1.67 CSCSc1ccc(cc1C(=O)C)F 62a_100011218213_100010200798 [0,2,0,0,0,0|1,1,0]=4 3480 B14R1.67 CSCSc1ccc(cc1C(=O)C)F 62a_100012353695_100011218213 [0,2,0,0,0,0|1,1,0]=4 3481 B14R1.67 CSCSc1ccc(cc1C(=O)C)N 62a_100012349454_100011218213 [0,2,0,0,0,0|1,1,0]=4 3482 B14R1.67 CSCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100011218213 [0,2,0,0,0,0|0,1,0]=3 3483 B14R1.67 CSCSc1ccc(cc1C(=O)N)C 62a_100011218213_200012349609 [0,2,0,0,0,0|0,1,0]=3 3484 B14R1.67 CSCSc1ccc(cc1C(=O)N)C 62a_200012349609_100011218213 [0,2,0,0,0,0|0,1,0]=3 3485 B14R1.67 CSCSc1ccc(cc1C(=O)N)F 62a_100000206434_100011218213 [0,2,0,0,0,0|0,1,0]=3 3486 B14R1.67 CSCSc1ccc(cc1C(=O)N)F 62a_100011218213_100000206434 [0,2,0,0,0,0|0,1,0]=3 3487 B14R1.67 CSCSc1ccc(cc1C(=O)N)N 62a_100015186447_100011218213 [0,2,0,0,0,0|0,1,0]=3 3488 B14R1.67 CSCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100011218213 [0,2,0,0,0,0|1,1,0]=4 3489 B14R1.67 CSCSc1ncc(cc1C(=O)N)F 62a_100011218213_100012183597 [0,2,0,0,0,0|1,1,0]=4 3490 B14R1.67 CSCSc1ncc(cc1C(=O)N)F 62a_100012183597_100011218213 [0,2,0,0,0,0|1,1,0]=4 3491 B14R1.67 C[C@@H](N)c1cc(ccc1OCCF)Cl 34a_100011853016_100011217306 [0,2,0,0,0,0|1,0,1]=4 3492 B14R1.67 C[C@@H](N)c1cc(ccc1OCCF)Cl 7a_100011853016_100011217306 [0,2,0,0,0,0|1,0,1]=4 3493 B14R1.67 C[C@@H](N)c1cc(ccc1OCCO)Cl 34a_100011853016_100000211926 [0,2,0,0,0,0|1,0,1]=4 3494 B14R1.67 C[C@@H](N)c1cc(ccc1OCCO)Cl 7a_100011853016_100000211926 [0,2,0,0,0,0|1,0,1]=4 3495 B14R1.67 C[C@H](N)c1cc(ccc1OCCF)F 34a_100160469477_100011217306 [0,2,0,0,0,0|1,0,1]=4 3496 B14R1.67 C[C@H](N)c1cc(ccc1OCCF)F 7a_100160469477_100011217306 [0,2,0,0,0,0|1,0,1]=4 3497 B14R1.67 C[C@H](N)c1cc(ccc1OCCO)F 34a_100160469477_100000211926 [0,2,0,0,0,0|1,0,1]=4 3498 B14R1.67 C[C@H](N)c1cc(ccc1OCCO)F 7a_100160469477_100000211926 [0,2,0,0,0,0|1,0,1]=4 3499 B14R1.67 Cc1ccc(c(c1)C(=O)N)NCC=O 34a_100011692829_200009817547 [0,2,0,0,0,0|1,0,1]=4 3500 B14R1.67 Cc1ccc(c(c1)C(=O)N)NCCF 34a_100011692829_100011217306 [0,2,0,0,0,0|1,0,0]=3 3501 B14R1.67 Cc1ccc(c(c1)C(=O)N)NCCO 34a_100011692829_100000211926 [0,2,0,0,0,0|1,0,0]=3 3502 B14R1.67 Cc1ccc(c(c1)C(=O)N)OCC#N 7a_200000192840_100011215382 [0,2,0,0,0,0|0,0,1]=3 3503 B14R1.67 Cc1ccc(c(c1)C(=O)N)OCC=O 34a_200000192840_200009817547 [0,2,0,0,0,0|0,0,1]=3 3504 B14R1.67 Cc1ccc(c(c1)C(=O)N)OCC=O 7a_200000192840_200015260668 [0,2,0,0,0,0|0,0,1]=3 3505 B14R1.67 Cc1ccc(c(c1)C(=O)N)OCCF 34a_200000192840_100011217306 [0,2,0,0,0,0|0,0,0]=2 3506 B14R1.67 Cc1ccc(c(c1)C(=O)N)OCCF 7a_200000192840_100011217306 [0,2,0,0,0,0|0,0,0]=2 3507 B14R1.67 Cc1ccc(c(c1)C(=O)N)OCCO 34a_200000192840_100000211926 [0,2,0,0,0,0|0,0,0]=2 3508 B14R1.67 Cc1ccc(c(c1)C(=O)N)OCCO 7a_200000192840_100000211926 [0,2,0,0,0,0|0,0,0]=2 3509 B14R1.67 Cc1ccc(c(c1)C(=O)N)SCC#N 62a_100011215382_200012349609 [0,2,0,0,0,0|0,1,1]=4 3510 B14R1.67 Cc1ccc(c(c1)C(=O)N)SCC#N 62a_200012349609_100011215382 [0,2,0,0,0,0|0,1,1]=4 3511 B14R1.67 Cc1ccc(c(c1)C(=O)N)SCC=O 62a_200012349609_200015260668 [0,2,0,0,0,0|0,1,1]=4 3512 B14R1.67 Cc1ccc(c(c1)C(=O)N)SCC=O 62a_200015260668_200012349609 [0,2,0,0,0,0|0,1,1]=4 3513 B14R1.67 Cc1ccc(c(c1)C(=O)N)SCCF 62a_100011217306_200012349609 [0,2,0,0,0,0|0,1,0]=3 3514 B14R1.67 Cc1ccc(c(c1)C(=O)N)SCCF 62a_200012349609_100011217306 [0,2,0,0,0,0|0,1,0]=3 3515 B14R1.67 Cc1ccc(c(c1)C(=O)N)SCCO 62a_100000211926_200012349609 [0,2,0,0,0,0|0,1,0]=3 3516 B14R1.67 Cc1ccc(c(c1)C(=O)N)SCCO 62a_200012349609_100000211926 [0,2,0,0,0,0|0,1,0]=3 3517 B14R1.67 Cc1ccc(c(c1)[N+](=O)[O-])OCCF 34a_100000195567_100011217306 [0,2,0,0,0,0|2,0,0]=4 3518 B14R1.67 Cc1ccc(c(c1)[N+](=O)[O-])OCCF 7a_100000195567_100011217306 [0,2,0,0,0,0|2,0,0]=4 3519 B14R1.67 Cc1ccc(c(c1)[N+](=O)[O-])OCCO 34a_100000195567_100000211926 [0,2,0,0,0,0|2,0,0]=4 3520 B14R1.67 Cc1ccc(c(c1)[N+](=O)[O-])OCCO 7a_100000195567_100000211926 [0,2,0,0,0,0|2,0,0]=4 3521 B14R1.67 N#CCNc1ccc(cc1C(=O)N)Br 7a_100000740421_100011215382 [0,2,0,0,0,0|1,0,1]=4 3522 B14R1.67 N#CCNc1ccc(cc1C(=O)N)Cl 7a_100000743835_100011215382 [0,2,0,0,0,0|1,0,1]=4 3523 B14R1.67 N#CCNc1ccc(cc1C(=O)N)F 7a_100000741173_100011215382 [0,2,0,0,0,0|1,0,1]=4 3524 B14R1.67 N#CCOc1ccc(cc1C(=O)N)Br 7a_100000192807_100011215382 [0,2,0,0,0,0|0,0,1]=3 3525 B14R1.67 N#CCOc1ccc(cc1C(=O)N)Cl 7a_100000185026_100011215382 [0,2,0,0,0,0|0,0,1]=3 3526 B14R1.67 N#CCOc1ccc(cc1C(=O)N)F 7a_100012186459_100011215382 [0,2,0,0,0,0|0,0,1]=3 3527 B14R1.67 N#CCOc1ccc(cc1C(=O)N)I 7a_100000192813_100011215382 [0,2,0,0,0,0|0,0,1]=3 3528 B14R1.67 N#CCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100011215382 [0,2,0,0,0,0|0,1,1]=4 3529 B14R1.67 N#CCSc1ccc(cc1C(=O)N)F 62a_100000206434_100011215382 [0,2,0,0,0,0|0,1,1]=4 3530 B14R1.67 N#CCSc1ccc(cc1C(=O)N)F 62a_100011215382_100000206434 [0,2,0,0,0,0|0,1,1]=4 3531 B14R1.67 N#CCSc1ccc(cc1C(=O)N)N 62a_100015186447_100011215382 [0,2,0,0,0,0|0,1,1]=4 3532 B14R1.67 NC(=O)c1cc(ccc1NCC=O)Br 34a_100000740421_200009817547 [0,2,0,0,0,0|1,0,1]=4 3533 B14R1.67 NC(=O)c1cc(ccc1NCC=O)Br 7a_100000740421_200015260668 [0,2,0,0,0,0|1,0,1]=4 3534 B14R1.67 NC(=O)c1cc(ccc1NCC=O)Cl 34a_100000743835_200009817547 [0,2,0,0,0,0|1,0,1]=4 3535 B14R1.67 NC(=O)c1cc(ccc1NCC=O)Cl 7a_100000743835_200015260668 [0,2,0,0,0,0|1,0,1]=4 3536 B14R1.67 NC(=O)c1cc(ccc1NCC=O)F 34a_100000741173_200009817547 [0,2,0,0,0,0|1,0,1]=4 3537 B14R1.67 NC(=O)c1cc(ccc1NCC=O)F 7a_100000741173_200015260668 [0,2,0,0,0,0|1,0,1]=4 3538 B14R1.67 NC(=O)c1cc(ccc1NCCF)Br 34a_100000740421_100011217306 [0,2,0,0,0,0|1,0,0]=3 3539 B14R1.67 NC(=O)c1cc(ccc1NCCF)Br 7a_100000740421_100011217306 [0,2,0,0,0,0|1,0,0]=3 3540 B14R1.67 NC(=O)c1cc(ccc1NCCF)Cl 34a_100000743835_100011217306 [0,2,0,0,0,0|1,0,0]=3 3541 B14R1.67 NC(=O)c1cc(ccc1NCCF)Cl 7a_100000743835_100011217306 [0,2,0,0,0,0|1,0,0]=3 3542 B14R1.67 NC(=O)c1cc(ccc1NCCF)F 34a_100000741173_100011217306 [0,2,0,0,0,0|1,0,0]=3 3543 B14R1.67 NC(=O)c1cc(ccc1NCCF)F 7a_100000741173_100011217306 [0,2,0,0,0,0|1,0,0]=3 3544 B14R1.67 NC(=O)c1cc(ccc1NCCO)Br 27a_100000210304_200000162314 [0,2,0,0,0,0|1,0,0]=3 3545 B14R1.67 NC(=O)c1cc(ccc1NCCO)Br 34a_100000740421_100000211926 [0,2,0,0,0,0|1,0,0]=3 3546 B14R1.67 NC(=O)c1cc(ccc1NCCO)Br 7a_100000740421_100000211926 [0,2,0,0,0,0|1,0,0]=3 3547 B14R1.67 NC(=O)c1cc(ccc1NCCO)Cl 34a_100000743835_100000211926 [0,2,0,0,0,0|1,0,0]=3 3548 B14R1.67 NC(=O)c1cc(ccc1NCCO)Cl 7a_100000743835_100000211926 [0,2,0,0,0,0|1,0,0]=3 3549 B14R1.67 NC(=O)c1cc(ccc1NCCO)F 34a_100000741173_100000211926 [0,2,0,0,0,0|1,0,0]=3 3550 B14R1.67 NC(=O)c1cc(ccc1NCCO)F 7a_100000741173_100000211926 [0,2,0,0,0,0|1,0,0]=3 3551 B14R1.67 NC(=O)c1cc(ccc1OCC=O)Br 34a_100000192807_200009817547 [0,2,0,0,0,0|0,0,1]=3 3552 B14R1.67 NC(=O)c1cc(ccc1OCC=O)Br 7a_100000192807_200015260668 [0,2,0,0,0,0|0,0,1]=3 3553 B14R1.67 NC(=O)c1cc(ccc1OCC=O)Cl 34a_100000185026_200009817547 [0,2,0,0,0,0|0,0,1]=3 3554 B14R1.67 NC(=O)c1cc(ccc1OCC=O)Cl 7a_100000185026_200015260668 [0,2,0,0,0,0|0,0,1]=3 3555 B14R1.67 NC(=O)c1cc(ccc1OCC=O)F 34a_100012186459_200009817547 [0,2,0,0,0,0|0,0,1]=3 3556 B14R1.67 NC(=O)c1cc(ccc1OCC=O)F 7a_100012186459_200015260668 [0,2,0,0,0,0|0,0,1]=3 3557 B14R1.67 NC(=O)c1cc(ccc1OCC=O)I 34a_100000192813_200009817547 [0,2,0,0,0,0|0,0,1]=3 3558 B14R1.67 NC(=O)c1cc(ccc1OCC=O)I 7a_100000192813_200015260668 [0,2,0,0,0,0|0,0,1]=3 3559 B14R1.67 NC(=O)c1cc(ccc1OCCF)Br 34a_100000192807_100011217306 [0,2,0,0,0,0|0,0,0]=2 3560 B14R1.67 NC(=O)c1cc(ccc1OCCF)Br 7a_100000192807_100011217306 [0,2,0,0,0,0|0,0,0]=2 3561 B14R1.67 NC(=O)c1cc(ccc1OCCF)Cl 34a_100000185026_100011217306 [0,2,0,0,0,0|0,0,0]=2 3562 B14R1.67 NC(=O)c1cc(ccc1OCCF)Cl 7a_100000185026_100011217306 [0,2,0,0,0,0|0,0,0]=2 3563 B14R1.67 NC(=O)c1cc(ccc1OCCF)F 34a_100012186459_100011217306 [0,2,0,0,0,0|0,0,0]=2 3564 B14R1.67 NC(=O)c1cc(ccc1OCCF)F 7a_100012186459_100011217306 [0,2,0,0,0,0|0,0,0]=2 3565 B14R1.67 NC(=O)c1cc(ccc1OCCF)I 34a_100000192813_100011217306 [0,2,0,0,0,0|0,0,0]=2 3566 B14R1.67 NC(=O)c1cc(ccc1OCCF)I 7a_100000192813_100011217306 [0,2,0,0,0,0|0,0,0]=2 3567 B14R1.67 NC(=O)c1cc(ccc1OCCO)Br 34a_100000192807_100000211926 [0,2,0,0,0,0|0,0,0]=2 3568 B14R1.67 NC(=O)c1cc(ccc1OCCO)Br 7a_100000192807_100000211926 [0,2,0,0,0,0|0,0,0]=2 3569 B14R1.67 NC(=O)c1cc(ccc1OCCO)Cl 34a_100000185026_100000211926 [0,2,0,0,0,0|0,0,0]=2 3570 B14R1.67 NC(=O)c1cc(ccc1OCCO)Cl 7a_100000185026_100000211926 [0,2,0,0,0,0|0,0,0]=2 3571 B14R1.67 NC(=O)c1cc(ccc1OCCO)F 34a_100012186459_100000211926 [0,2,0,0,0,0|0,0,0]=2 3572 B14R1.67 NC(=O)c1cc(ccc1OCCO)F 7a_100012186459_100000211926 [0,2,0,0,0,0|0,0,0]=2 3573 B14R1.67 NC(=O)c1cc(ccc1OCCO)I 34a_100000192813_100000211926 [0,2,0,0,0,0|0,0,0]=2 3574 B14R1.67 NC(=O)c1cc(ccc1OCCO)I 7a_100000192813_100000211926 [0,2,0,0,0,0|0,0,0]=2 3575 B14R1.67 NC(=O)c1cc(ccc1SCC=O)Br 62a_200000162314_200015260668 [0,2,0,0,0,0|0,1,1]=4 3576 B14R1.67 NC(=O)c1cc(ccc1SCC=O)F 62a_100000206434_200015260668 [0,2,0,0,0,0|0,1,1]=4 3577 B14R1.67 NC(=O)c1cc(ccc1SCC=O)F 62a_200015260668_100000206434 [0,2,0,0,0,0|0,1,1]=4 3578 B14R1.67 NC(=O)c1cc(ccc1SCC=O)N 62a_100015186447_200015260668 [0,2,0,0,0,0|0,1,1]=4 3579 B14R1.67 NC(=O)c1cc(ccc1SCCF)Br 62a_200000162314_100011217306 [0,2,0,0,0,0|0,1,0]=3 3580 B14R1.67 NC(=O)c1cc(ccc1SCCF)F 62a_100000206434_100011217306 [0,2,0,0,0,0|0,1,0]=3 3581 B14R1.67 NC(=O)c1cc(ccc1SCCF)F 62a_100011217306_100000206434 [0,2,0,0,0,0|0,1,0]=3 3582 B14R1.67 NC(=O)c1cc(ccc1SCCF)N 62a_100015186447_100011217306 [0,2,0,0,0,0|0,1,0]=3 3583 B14R1.67 NC(=O)c1cc(ccc1SCCO)Br 62a_200000162314_100000211926 [0,2,0,0,0,0|0,1,0]=3 3584 B14R1.67 NC(=O)c1cc(ccc1SCCO)F 62a_100000206434_100000211926 [0,2,0,0,0,0|0,1,0]=3 3585 B14R1.67 NC(=O)c1cc(ccc1SCCO)F 62a_100000211926_100000206434 [0,2,0,0,0,0|0,1,0]=3 3586 B14R1.67 NC(=O)c1cc(ccc1SCCO)N 62a_100015186447_100000211926 [0,2,0,0,0,0|0,1,0]=3 3587 B14R1.67 NC(=O)c1cc(cnc1NCCO)F 27a_100000210304_100012183597 [0,2,0,0,0,0|2,0,0]=4 3588 B14R1.67 NC(=O)c1cc(cnc1SCCF)F 62a_100011217306_100012183597 [0,2,0,0,0,0|1,1,0]=4 3589 B14R1.67 NC(=O)c1cc(cnc1SCCF)F 62a_100012183597_100011217306 [0,2,0,0,0,0|1,1,0]=4 3590 B14R1.67 NC(=O)c1cc(cnc1SCCO)F 62a_100000211926_100012183597 [0,2,0,0,0,0|1,1,0]=4 3591 B14R1.67 NC(=O)c1cc(cnc1SCCO)F 62a_100012183597_100000211926 [0,2,0,0,0,0|1,1,0]=4 3592 B14R1.67 Nc1ccc(c(c1)[N+](=O)[O-])OCCF 34a_100000032192_100011217306 [0,2,0,0,0,0|2,0,0]=4 3593 B14R1.67 Nc1ccc(c(c1)[N+](=O)[O-])OCCF 7a_100000032192_100011217306 [0,2,0,0,0,0|2,0,0]=4 3594 B14R1.67 Nc1ccc(c(c1)[N+](=O)[O-])OCCO 34a_100000032192_100000211926 [0,2,0,0,0,0|2,0,0]=4 3595 B14R1.67 Nc1ccc(c(c1)[N+](=O)[O-])OCCO 7a_100000032192_100000211926 [0,2,0,0,0,0|2,0,0]=4 3596 B14R1.67 O=C(O)c1cc(ccc1SCCF)Br 62a_100011072988_100011217306 [0,2,0,0,0,0|1,1,0]=4 3597 B14R1.67 O=C(O)c1cc(ccc1SCCO)Br 62a_100011072988_100000211926 [0,2,0,0,0,0|1,1,0]=4 3598 B14R1.67 O=[N+]([O-])c1cc(ccc1OCCF)Br 34a_100000757407_100011217306 [0,2,0,0,0,0|2,0,0]=4 3599 B14R1.67 O=[N+]([O-])c1cc(ccc1OCCF)Br 7a_100000757407_100011217306 [0,2,0,0,0,0|2,0,0]=4 3600 B14R1.67 O=[N+]([O-])c1cc(ccc1OCCF)Cl 34a_100000212152_100011217306 [0,2,0,0,0,0|2,0,0]=4 3601 B14R1.67 O=[N+]([O-])c1cc(ccc1OCCF)Cl 7a_100000212152_100011217306 [0,2,0,0,0,0|2,0,0]=4 3602 B14R1.67 O=[N+]([O-])c1cc(ccc1OCCF)F 34a_100000748789_100011217306 [0,2,0,0,0,0|2,0,0]=4 3603 B14R1.67 O=[N+]([O-])c1cc(ccc1OCCF)F 7a_100000748789_100011217306 [0,2,0,0,0,0|2,0,0]=4 3604 B14R1.67 O=[N+]([O-])c1cc(ccc1OCCF)I 7a_100000698543_100011217306 [0,2,0,0,0,0|2,0,0]=4 3605 B14R1.67 O=[N+]([O-])c1cc(ccc1OCCO)Br 34a_100000757407_100000211926 [0,2,0,0,0,0|2,0,0]=4 3606 B14R1.67 O=[N+]([O-])c1cc(ccc1OCCO)Br 7a_100000757407_100000211926 [0,2,0,0,0,0|2,0,0]=4 3607 B14R1.67 O=[N+]([O-])c1cc(ccc1OCCO)Cl 34a_100000212152_100000211926 [0,2,0,0,0,0|2,0,0]=4 3608 B14R1.67 O=[N+]([O-])c1cc(ccc1OCCO)Cl 7a_100000212152_100000211926 [0,2,0,0,0,0|2,0,0]=4 3609 B14R1.67 O=[N+]([O-])c1cc(ccc1OCCO)F 34a_100000748789_100000211926 [0,2,0,0,0,0|2,0,0]=4 3610 B14R1.67 O=[N+]([O-])c1cc(ccc1OCCO)F 7a_100000748789_100000211926 [0,2,0,0,0,0|2,0,0]=4 3611 B14R1.67 O=[N+]([O-])c1cc(ccc1OCCO)I 7a_100000698543_100000211926 [0,2,0,0,0,0|2,0,0]=4 3612 B14R1.67 [13CH3]C(=O)c1cc(ccc1OCCF)Cl 1458a_100012568980_200025704644 [0,2,0,0,0,0|1,0,0]=3 3613 B14R1.1126 CCN(C)c1ccc(cc1C(=O)N)Br 269982a_200010114593_100000204670 [0,2,0,0,0,0|1,0,0]=3 3614 B14R1.1126 CCN(C)c1ccc(cc1C(=O)N)Br 34a_200010114593_100000210202 [0,2,0,0,0,0|1,0,0]=3 3615 B14R1.1126 CCN(C)c1ccc(cc1C(=O)O)C 269956a_100000216468_200000210301 [0,2,0,0,0,0|2,0,0]=4 3616 B14R1.1126 CCN([13CH3])c1ccc(cc1C(=O)O)C 269956a_100000216468_200025704644 [0,2,0,0,0,0|2,0,0]=4 3617 B14R1.1126 CN(CF)c1ccc(cc1C(=O)N)Br 269982a_200010114593_100015361967 [0,2,0,0,0,0|2,0,0]=4 3618 B14R1.1126 CN(CF)c1ccc(cc1C(=O)N)Br 34a_200010114593_100015361967 [0,2,0,0,0,0|2,0,0]=4 3619 B14R1.5213 CCOc1ccc(c(c1C(=O)C)F)F 1458a_100010769336_200000210301 [0,2,0,0,0,0|1,0,0]=3 3620 B14R1.5213 CCOc1ccc(c(c1C(=O)[13CH3])F)F 1458a_100010769336_200025704644 [0,2,0,0,0,0|1,0,0]=3 3621 B14R1.5213 CCOc1ccc(c(c1[N+](=O)[O-])C)Br 34a_100010090815_100000210202 [0,2,0,0,0,0|2,0,0]=4 3622 B14R1.5213 CCOc1ccc(c(c1[N+](=O)[O-])C)Br 7a_100010090815_100000210202 [0,2,0,0,0,0|2,0,0]=4 3623 B14R1.5237 C=C(C)c1cc(ccc1OCC)C#N 271570a_100000694244_100000189309 [0,2,0,0,0,0|2,0,0]=4 3624 B14R1.5237 C=C(C)c1cc(ccc1OCC)C=O 271570a_100000694244_100000173028 [0,2,0,0,0,0|2,0,0]=4 3625 B14R1.5237 C=C(C)c1cc(ccc1OCC)CO 271570a_100000694244_200011800839 [0,2,0,0,0,0|2,0,0]=4 3626 B14R1.5237 C=Cc1ccc(c(c1)C(=O)C)OCC 271570a_100011290941_100000173016 [0,2,0,0,0,0|1,0,0]=3 3627 B14R1.5237 CC(=O)c1cc(ccc1OCF)C#N 34a_100000074817_100015361967 [0,2,0,0,0,0|2,0,0]=4 3628 B14R1.5237 CC(=O)c1cc(ccc1OCF)C#N 7a_100000074817_100015361967 [0,2,0,0,0,0|2,0,0]=4 3629 B14R1.5237 CC=Cc1ccc(cc1C(=O)N)OC 271570a_100016259895_100000162014 [0,2,0,0,0,0|1,0,1]=4 3630 B14R1.5237 CCNc1ccc(cc1C(=O)N)CC 34a_100014932089_100000210202 [0,2,0,0,0,0|1,0,0]=3 3631 B14R1.5237 CCNc1ccc(cc1C(=O)N)CC 7a_100014932089_100000210202 [0,2,0,0,0,0|1,0,0]=3 3632 B14R1.5237 CCNc1ccc(cc1C(=O)N)OC 34a_100011380456_100000210202 [0,2,0,0,0,0|1,0,0]=3 3633 B14R1.5237 CCOc1ccc(cc1C(=O)C)C#N 34a_100000074817_100000210202 [0,2,0,0,0,0|1,0,0]=3 3634 B14R1.5237 CCOc1ccc(cc1C(=O)C)C#N 7a_100000074817_100000210202 [0,2,0,0,0,0|1,0,0]=3 3635 B14R1.5237 CCOc1ccc(cc1C(=O)C)CC 34a_100000230022_100000210202 [0,2,0,0,0,0|1,0,0]=3 3636 B14R1.5237 CCOc1ccc(cc1C(=O)C)CC 7a_100000230022_100000210202 [0,2,0,0,0,0|1,0,0]=3 3637 B14R1.5237 CCOc1ccc(cc1C(=O)C)OC 34a_100000211518_100000210202 [0,2,0,0,0,0|1,0,0]=3 3638 B14R1.5237 CCOc1ccc(cc1C(=O)C)OC 7a_100000211518_100000210202 [0,2,0,0,0,0|1,0,0]=3 3639 B14R1.5237 CCOc1ccc(cc1C(=O)C)SC 62a_100000173016_200000210301 [0,2,0,0,0,0|1,0,0]=3 3640 B14R1.5237 CCOc1ccc(cc1C(=O)C)S[13CH3] 62a_100000173016_200025704644 [0,2,0,0,0,0|1,0,0]=3 3641 B14R1.5237 CCOc1ccc(cc1[N+](=O)[O-])C#N 34a_100000188248_100000210202 [0,2,0,0,0,0|2,0,0]=4 3642 B14R1.5237 CCOc1ccc(cc1[N+](=O)[O-])C#N 7a_100000188248_100000210202 [0,2,0,0,0,0|2,0,0]=4 3643 B14R1.5237 CCOc1ccc(cc1[N+](=O)[O-])CBr 34a_100010149780_100000210202 [0,2,0,0,0,0|2,0,0]=4 3644 B14R1.5237 CCOc1ccc(cc1[N+](=O)[O-])CBr 7a_100010149780_100000210202 [0,2,0,0,0,0|2,0,0]=4 3645 B14R1.5237 CCOc1ccc(cc1[N+](=O)[O-])CC 34a_100000756517_100000210202 [0,2,0,0,0,0|2,0,0]=4 3646 B14R1.5237 CCOc1ccc(cc1[N+](=O)[O-])CC 7a_100000756517_100000210202 [0,2,0,0,0,0|2,0,0]=4 3647 B14R1.5237 CCOc1ccc(cc1[N+](=O)[O-])CCl 34a_200000683477_100000210202 [0,2,0,0,0,0|2,0,0]=4 3648 B14R1.5237 CCOc1ccc(cc1[N+](=O)[O-])CCl 7a_200000683477_100000210202 [0,2,0,0,0,0|2,0,0]=4 3649 B14R1.5237 CCOc1ccc(cc1[N+](=O)[O-])CO 34a_100011216038_100000210202 [0,2,0,0,0,0|2,0,0]=4 3650 B14R1.5237 CCOc1ccc(cc1[N+](=O)[O-])CO 7a_100011216038_100000210202 [0,2,0,0,0,0|2,0,0]=4 3651 B14R1.5237 CCOc1ccc(cc1[N+](=O)[O-])OC 34a_100000211607_100000210202 [0,2,0,0,0,0|2,0,0]=4 3652 B14R1.5237 CCOc1ccc(cc1[N+](=O)[O-])OC 7a_100000211607_100000210202 [0,2,0,0,0,0|2,0,0]=4 3653 B14R1.5237 CCSc1ccc(cc1C(=O)C)OC 62a_100011360761_100000210202 [0,2,0,0,0,0|1,1,0]=4 3654 B14R1.5237 CCSc1ccc(cc1C(=O)N)OC 62a_100000162014_100000210202 [0,2,0,0,0,0|0,1,0]=3 3655 B14R1.5237 CCc1ccc(c(c1)C(=O)C)OCF 34a_100000230022_100015361967 [0,2,0,0,0,0|2,0,0]=4 3656 B14R1.5237 CCc1ccc(c(c1)C(=O)C)OCF 7a_100000230022_100015361967 [0,2,0,0,0,0|2,0,0]=4 3657 B14R1.5237 CCc1ccc(c(c1)C(=O)N)NCF 34a_100014932089_100015361967 [0,2,0,0,0,0|2,0,0]=4 3658 B14R1.5237 CCc1ccc(c(c1)C(=O)N)NCF 7a_100014932089_100015361967 [0,2,0,0,0,0|2,0,0]=4 3659 B14R1.5237 COc1ccc(c(c1)C(=O)C)OCF 34a_100000211518_100015361967 [0,2,0,0,0,0|2,0,0]=4 3660 B14R1.5237 COc1ccc(c(c1)C(=O)C)OCF 7a_100000211518_100015361967 [0,2,0,0,0,0|2,0,0]=4 3661 B14R1.5237 COc1ccc(c(c1)C(=O)N)NCF 34a_100011380456_100015361967 [0,2,0,0,0,0|2,0,0]=4 3662 B14R1.5237 COc1ccc(c(c1)C(=O)N)SCF 62a_100000162014_100015361967 [0,2,0,0,0,0|1,1,0]=4 3663 B14R1.5238 CC=Cc1ccc(cc1C(=O)NC)Cl 271570a_100016259895_200011279454 [0,2,0,0,0,0|1,0,1]=4 3664 B14R1.5238 CC=Cc1ccc(cc1C(=O)NC)F 271570a_100016259895_200000206232 [0,2,0,0,0,0|1,0,1]=4 3665 B14R1.5238 CC=Cc1ccc(cc1C(=O)NN)F 271570a_100016259895_100000205862 [0,2,0,0,0,0|1,0,1]=4 3666 B14R1.5238 CCC(=O)c1cc(ccc1OCF)Br 7a_100000183607_100015361967 [0,2,0,0,0,0|2,0,0]=4 3667 B14R1.5238 CCC(=O)c1cc(ccc1OCF)C 7a_100000183590_100015361967 [0,2,0,0,0,0|2,0,0]=4 3668 B14R1.5238 CCC(=O)c1cc(ccc1OCF)Cl 7a_100000181482_100015361967 [0,2,0,0,0,0|2,0,0]=4 3669 B14R1.5238 CCC(=O)c1cc(ccc1OCF)F 34a_100000183209_100015361967 [0,2,0,0,0,0|2,0,0]=4 3670 B14R1.5238 CCC(=O)c1cc(ccc1OCF)F 7a_100000183209_100015361967 [0,2,0,0,0,0|2,0,0]=4 3671 B14R1.5238 CCNc1ccc(cc1C(=O)NC)Br 34a_100000690504_100000210202 [0,2,0,0,0,0|1,0,0]=3 3672 B14R1.5238 CCNc1ccc(cc1C(=O)NC)Cl 27a_100015525214_200011279454 [0,2,0,0,0,0|1,0,0]=3 3673 B14R1.5238 CCNc1ccc(cc1C(=O)NC)Cl 34a_100000739363_100000210202 [0,2,0,0,0,0|1,0,0]=3 3674 B14R1.5238 CCNc1ccc(cc1C(=O)NC)F 27a_100015525214_200000206232 [0,2,0,0,0,0|1,0,0]=3 3675 B14R1.5238 CCOc1ccc(cc1C(=O)CBr)Br 7a_200009828000_100000210202 [0,2,0,0,0,0|1,0,0]=3 3676 B14R1.5238 CCOc1ccc(cc1C(=O)CBr)Cl 7a_200009816716_100000210202 [0,2,0,0,0,0|1,0,0]=3 3677 B14R1.5238 CCOc1ccc(cc1C(=O)CBr)F 7a_100009814381_100000210202 [0,2,0,0,0,0|1,0,0]=3 3678 B14R1.5238 CCOc1ccc(cc1C(=O)CC)Br 1458a_200000215690_100000210202 [0,2,0,0,0,0|1,0,0]=3 3679 B14R1.5238 CCOc1ccc(cc1C(=O)CC)Br 7a_100000183607_100000210202 [0,2,0,0,0,0|1,0,0]=3 3680 B14R1.5238 CCOc1ccc(cc1C(=O)CC)C 7a_100000183590_100000210202 [0,2,0,0,0,0|1,0,0]=3 3681 B14R1.5238 CCOc1ccc(cc1C(=O)CC)Cl 1458a_200000215692_100000210202 [0,2,0,0,0,0|1,0,0]=3 3682 B14R1.5238 CCOc1ccc(cc1C(=O)CC)Cl 7a_100000181482_100000210202 [0,2,0,0,0,0|1,0,0]=3 3683 B14R1.5238 CCOc1ccc(cc1C(=O)CC)F 34a_100000183209_100000210202 [0,2,0,0,0,0|1,0,0]=3 3684 B14R1.5238 CCOc1ccc(cc1C(=O)CC)F 7a_100000183209_100000210202 [0,2,0,0,0,0|1,0,0]=3 3685 B14R1.5238 CCOc1ccc(cc1C(=O)CCl)F 7a_100000047744_100000210202 [0,2,0,0,0,0|1,0,0]=3 3686 B14R1.5238 CCOc1ccc(cc1C(=O)CF)Br 1458a_200000215690_100015361967 [0,2,0,0,0,0|1,0,0]=3 3687 B14R1.5238 CCOc1ccc(cc1C(=O)CF)Cl 1458a_200000215692_100015361967 [0,2,0,0,0,0|1,0,0]=3 3688 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Br 11a_106832991635_200000215690 [0,2,0,0,0,0|0,0,0]=2 3689 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Br 1626a_100102657272_200000215690 [0,2,0,0,0,0|0,0,0]=2 3690 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Br 240690a_100102657272_200000215690 [0,2,0,0,0,0|0,0,0]=2 3691 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Br 527a_100102657272_200000215690 [0,2,0,0,0,0|0,0,0]=2 3692 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Cl 11a_106832991635_200000215692 [0,2,0,0,0,0|0,0,0]=2 3693 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Cl 1626a_100102657272_200000215692 [0,2,0,0,0,0|0,0,0]=2 3694 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Cl 240690a_100102657272_200000215692 [0,2,0,0,0,0|0,0,0]=2 3695 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Cl 527a_100102657272_200000215692 [0,2,0,0,0,0|0,0,0]=2 3696 B14R1.5238 CCOc1ccc(cc1C(=O)NN)Br 34a_100000193350_100000210202 [0,2,0,0,0,0|0,0,0]=2 3697 B14R1.5238 CCOc1ccc(cc1C(=O)NN)C 34a_200000193374_100000210202 [0,2,0,0,0,0|0,0,0]=2 3698 B14R1.5238 CCOc1ccc(cc1C(=O)NO)Cl 34a_100000199126_100000210202 [0,2,0,0,0,0|0,0,0]=2 3699 B14R1.5238 CCOc1ccc(cc1C(=O)OC)Br 34a_100000149267_100000210202 [0,2,0,0,0,0|1,0,0]=3 3700 B14R1.5238 CCOc1ccc(cc1C(=O)OC)Br 7a_100000149267_100000210202 [0,2,0,0,0,0|1,0,0]=3 3701 B14R1.5238 CCOc1ccc(cc1C(=O)OC)C 34a_100000216618_100000210202 [0,2,0,0,0,0|1,0,0]=3 3702 B14R1.5238 CCOc1ccc(cc1C(=O)OC)C 7a_100000216618_100000210202 [0,2,0,0,0,0|1,0,0]=3 3703 B14R1.5238 CCOc1ccc(cc1C(=O)OC)Cl 34a_100000149278_100000210202 [0,2,0,0,0,0|1,0,0]=3 3704 B14R1.5238 CCOc1ccc(cc1C(=O)OC)Cl 7a_100000149278_100000210202 [0,2,0,0,0,0|1,0,0]=3 3705 B14R1.5238 CCOc1ccc(cc1C(=O)OC)F 34a_100011219540_100000210202 [0,2,0,0,0,0|1,0,0]=3 3706 B14R1.5238 CCOc1ccc(cc1C(=O)OC)F 7a_100011219540_100000210202 [0,2,0,0,0,0|1,0,0]=3 3707 B14R1.5238 CCOc1ccc(cc1C(=O)OC)I 34a_100000149868_100000210202 [0,2,0,0,0,0|1,0,0]=3 3708 B14R1.5238 CCOc1ccc(cc1C(=O)OC)I 7a_100000149868_100000210202 [0,2,0,0,0,0|1,0,0]=3 3709 B14R1.5238 CCOc1ccc(cc1C(=O)OC)N 34a_100011246163_100000210202 [0,2,0,0,0,0|1,0,0]=3 3710 B14R1.5238 CCOc1ccc(cc1C(=O)OC)N 7a_100011246163_100000210202 [0,2,0,0,0,0|1,0,0]=3 3711 B14R1.5238 CCOc1ccc(cc1C(C)NC)Br 269862a_106832991636_100000173016 [0,2,0,0,0,0|1,0,1]=4 3712 B14R1.5238 CCOc1ccc(cc1C(C)NC)Cl 269862a_106832991636_100000173017 [0,2,0,0,0,0|1,0,1]=4 3713 B14R1.5238 CCOc1ccc(nc1C(=O)OC)Br 34a_100000697862_100000210202 [0,2,0,0,0,0|2,0,0]=4 3714 B14R1.5238 CCOc1ccc(nc1C(=O)OC)Br 7a_100000697862_100000210202 [0,2,0,0,0,0|2,0,0]=4 3715 B14R1.5238 CCOc1ccc(nc1C(=O)OC)C 34a_100009869402_100000210202 [0,2,0,0,0,0|2,0,0]=4 3716 B14R1.5238 CCOc1ccc(nc1C(=O)OC)C 7a_100009869402_100000210202 [0,2,0,0,0,0|2,0,0]=4 3717 B14R1.5238 CCOc1cnc(cc1C(=O)OC)Br 34a_100010136202_100000210202 [0,2,0,0,0,0|2,0,0]=4 3718 B14R1.5238 CCOc1cnc(cc1C(=O)OC)Br 7a_100010136202_100000210202 [0,2,0,0,0,0|2,0,0]=4 3719 B14R1.5238 CCOc1ncc(cc1C(=O)OC)O 271570a_203496583355_100010175227 [0,2,0,0,0,0|2,0,0]=4 3720 B14R1.5238 CCSc1ccc(cc1C(=O)NC)Cl 62a_100000210202_200011279454 [0,2,0,0,0,0|0,1,0]=3 3721 B14R1.5238 CCSc1ccc(cc1C(=O)NC)Cl 62a_200011279454_100000210202 [0,2,0,0,0,0|0,1,0]=3 3722 B14R1.5238 CCSc1ccc(cc1C(=O)NC)F 62a_100000210202_200000206232 [0,2,0,0,0,0|0,1,0]=3 3723 B14R1.5238 CCSc1ccc(cc1C(=O)NC)F 62a_200000206232_100000210202 [0,2,0,0,0,0|0,1,0]=3 3724 B14R1.5238 CCSc1ccc(cc1C(=O)NN)F 62a_100000205862_100000210202 [0,2,0,0,0,0|0,1,0]=3 3725 B14R1.5238 CCSc1ccc(cc1C(=O)NN)F 62a_100000210202_100000205862 [0,2,0,0,0,0|0,1,0]=3 3726 B14R1.5238 CCSc1ccc(cc1C(=O)OC)Br 62a_100000148213_100000210202 [0,2,0,0,0,0|1,1,0]=4 3727 B14R1.5238 CCSc1ccc(cc1C(=O)OC)Br 62a_100000210202_100000148213 [0,2,0,0,0,0|1,1,0]=4 3728 B14R1.5238 CCSc1ccc(cc1C(=O)OC)C 62a_100000210202_100012339458 [0,2,0,0,0,0|1,1,0]=4 3729 B14R1.5238 CCSc1ccc(cc1C(=O)OC)C 62a_100012339458_100000210202 [0,2,0,0,0,0|1,1,0]=4 3730 B14R1.5238 CCSc1ccc(cc1C(=O)OC)Cl 62a_100000210202_100011294804 [0,2,0,0,0,0|1,1,0]=4 3731 B14R1.5238 CCSc1ccc(cc1C(=O)OC)Cl 62a_100011294804_100000210202 [0,2,0,0,0,0|1,1,0]=4 3732 B14R1.5238 CCSc1ccc(cc1C(=O)OC)F 62a_100000205820_100000210202 [0,2,0,0,0,0|1,1,0]=4 3733 B14R1.5238 CCSc1ccc(cc1C(=O)OC)F 62a_100000210202_100000205820 [0,2,0,0,0,0|1,1,0]=4 3734 B14R1.5238 CCSc1ccc(cc1C(=O)OC)N 62a_100000210202_100011794239 [0,2,0,0,0,0|1,1,0]=4 3735 B14R1.5238 CCSc1ccc(cc1C(=O)OC)N 62a_100000696289_100000210202 [0,2,0,0,0,0|1,1,0]=4 3736 B14R1.5238 CCSc1ccc(cc1C(=O)OC)O 62a_100000210202_100010230369 [0,2,0,0,0,0|1,1,0]=4 3737 B14R1.5238 CCSc1ccc(cc1C(=O)OC)O 62a_100010230369_100000210202 [0,2,0,0,0,0|1,1,0]=4 3738 B14R1.5238 CNC(=O)c1cc(ccc1NCF)Br 34a_100000690504_100015361967 [0,2,0,0,0,0|2,0,0]=4 3739 B14R1.5238 CNC(=O)c1cc(ccc1NCF)Cl 34a_100000739363_100015361967 [0,2,0,0,0,0|2,0,0]=4 3740 B14R1.5238 CNC(=O)c1cc(ccc1SCF)Cl 62a_100015361967_200011279454 [0,2,0,0,0,0|1,1,0]=4 3741 B14R1.5238 CNC(=O)c1cc(ccc1SCF)Cl 62a_200011279454_100015361967 [0,2,0,0,0,0|1,1,0]=4 3742 B14R1.5238 CNC(=O)c1cc(ccc1SCF)F 62a_100015361967_200000206232 [0,2,0,0,0,0|1,1,0]=4 3743 B14R1.5238 CNC(=O)c1cc(ccc1SCF)F 62a_200000206232_100015361967 [0,2,0,0,0,0|1,1,0]=4 3744 B14R1.5238 COC(=O)c1cc(ccc1OCF)Br 34a_100000149267_100015361967 [0,2,0,0,0,0|2,0,0]=4 3745 B14R1.5238 COC(=O)c1cc(ccc1OCF)Br 7a_100000149267_100015361967 [0,2,0,0,0,0|2,0,0]=4 3746 B14R1.5238 COC(=O)c1cc(ccc1OCF)C 34a_100000216618_100015361967 [0,2,0,0,0,0|2,0,0]=4 3747 B14R1.5238 COC(=O)c1cc(ccc1OCF)C 7a_100000216618_100015361967 [0,2,0,0,0,0|2,0,0]=4 3748 B14R1.5238 COC(=O)c1cc(ccc1OCF)Cl 34a_100000149278_100015361967 [0,2,0,0,0,0|2,0,0]=4 3749 B14R1.5238 COC(=O)c1cc(ccc1OCF)Cl 7a_100000149278_100015361967 [0,2,0,0,0,0|2,0,0]=4 3750 B14R1.5238 COC(=O)c1cc(ccc1OCF)F 34a_100011219540_100015361967 [0,2,0,0,0,0|2,0,0]=4 3751 B14R1.5238 COC(=O)c1cc(ccc1OCF)F 7a_100011219540_100015361967 [0,2,0,0,0,0|2,0,0]=4 3752 B14R1.5238 COC(=O)c1cc(ccc1OCF)I 34a_100000149868_100015361967 [0,2,0,0,0,0|2,0,0]=4 3753 B14R1.5238 COC(=O)c1cc(ccc1OCF)I 7a_100000149868_100015361967 [0,2,0,0,0,0|2,0,0]=4 3754 B14R1.5238 COC(=O)c1cc(ccc1OCF)N 34a_100011246163_100015361967 [0,2,0,0,0,0|2,0,0]=4 3755 B14R1.5238 COC(=O)c1cc(ccc1OCF)N 7a_100011246163_100015361967 [0,2,0,0,0,0|2,0,0]=4 3756 B14R1.5238 Cc1ccc(c(c1)C(=O)NN)OCF 34a_200000193374_100015361967 [0,2,0,0,0,0|1,0,0]=3 3757 B14R1.5238 NNC(=O)c1cc(ccc1OCF)Br 34a_100000193350_100015361967 [0,2,0,0,0,0|1,0,0]=3 3758 B14R1.5238 NNC(=O)c1cc(ccc1SCF)F 62a_100000205862_100015361967 [0,2,0,0,0,0|1,1,0]=4 3759 B14R1.5238 NNC(=O)c1cc(ccc1SCF)F 62a_100015361967_100000205862 [0,2,0,0,0,0|1,1,0]=4 3760 B14R1.5238 O=C(CBr)c1cc(ccc1OCF)Br 7a_200009828000_100015361967 [0,2,0,0,0,0|2,0,0]=4 3761 B14R1.5238 O=C(CBr)c1cc(ccc1OCF)Cl 7a_200009816716_100015361967 [0,2,0,0,0,0|2,0,0]=4 3762 B14R1.5238 O=C(CBr)c1cc(ccc1OCF)F 7a_100009814381_100015361967 [0,2,0,0,0,0|2,0,0]=4 3763 B14R1.5238 O=C(CCl)c1cc(ccc1OCF)F 7a_100000047744_100015361967 [0,2,0,0,0,0|2,0,0]=4 3764 B14R1.5238 O=C(NO)c1cc(ccc1OCF)Cl 34a_100000199126_100015361967 [0,2,0,0,0,0|1,0,0]=3 3765 B14R1.6074 C=C(C)c1cc(ccc1OC(C)C)F 271570a_100000694244_100000171696 [0,2,0,0,0,0|2,0,0]=4 3766 B14R1.6074 C=C(C)c1cc(ccc1OC(C)C)N 271570a_100000694244_200000706018 [0,2,0,0,0,0|2,0,0]=4 3767 B14R1.6074 CC(=Cc1ccc(cc1C(=O)N)Br)C 271570a_100102525489_200000162314 [0,2,0,0,0,0|1,0,1]=4 3768 B14R1.6074 CC(=Cc1ccc(cc1C(=O)N)C)C 271570a_100102525489_200012349609 [0,2,0,0,0,0|1,0,1]=4 3769 B14R1.6074 CC(=Cc1ccc(cc1C(=O)N)F)C 271570a_100102525489_100000206434 [0,2,0,0,0,0|1,0,1]=4 3770 B14R1.6074 CC(=Cc1ccc(cc1C(=O)N)N)C 271570a_100102525489_100015186447 [0,2,0,0,0,0|1,0,1]=4 3771 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Br 11a_100000740421_100015343762 [0,2,0,0,0,0|1,0,1]=4 3772 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Br 1626a_100000740421_100015343762 [0,2,0,0,0,0|1,0,1]=4 3773 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Br 22a_100000740421_100000070787 [0,2,0,0,0,0|1,0,1]=4 3774 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)C 11a_100011692829_100015343762 [0,2,0,0,0,0|1,0,1]=4 3775 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)C 1626a_100011692829_100015343762 [0,2,0,0,0,0|1,0,1]=4 3776 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)C 22a_100011692829_100000070787 [0,2,0,0,0,0|1,0,1]=4 3777 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Cl 11a_100000743835_100015343762 [0,2,0,0,0,0|1,0,1]=4 3778 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Cl 1626a_100000743835_100015343762 [0,2,0,0,0,0|1,0,1]=4 3779 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)Cl 22a_100000743835_100000070787 [0,2,0,0,0,0|1,0,1]=4 3780 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)F 11a_100000741173_100015343762 [0,2,0,0,0,0|1,0,1]=4 3781 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)F 1626a_100000741173_100015343762 [0,2,0,0,0,0|1,0,1]=4 3782 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)N)F 22a_100000741173_100000070787 [0,2,0,0,0,0|1,0,1]=4 3783 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)Br 1458a_200000243792_200000210301 [0,2,0,0,0,0|1,0,0]=3 3784 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)Br 34a_100000212127_100000210206 [0,2,0,0,0,0|1,0,0]=3 3785 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)Br 7a_100000212127_100000210206 [0,2,0,0,0,0|1,0,0]=3 3786 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)C 34a_100000195442_100000210206 [0,2,0,0,0,0|1,0,0]=3 3787 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)C 7a_100000195442_100000210206 [0,2,0,0,0,0|1,0,0]=3 3788 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)Cl 1458a_100000744665_200000210301 [0,2,0,0,0,0|1,0,0]=3 3789 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)Cl 34a_100000185566_100000210206 [0,2,0,0,0,0|1,0,0]=3 3790 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)Cl 7a_100000185566_100000210206 [0,2,0,0,0,0|1,0,0]=3 3791 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)F 7a_100000182812_100000210206 [0,2,0,0,0,0|1,0,0]=3 3792 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)I 7a_100010712555_100000210206 [0,2,0,0,0,0|1,0,0]=3 3793 B14R1.6074 CC(=O)c1cc(ccc1OC(C)C)N 34a_100011218865_100000210206 [0,2,0,0,0,0|1,0,0]=3 3794 B14R1.6074 CC(=O)c1cc(ccc1OC(F)F)Br 1458a_100000759194_200000210301 [0,2,0,0,0,0|2,0,0]=4 3795 B14R1.6074 CC(=O)c1cc(ccc1OC(F)F)F 1458a_100011830240_200000210301 [0,2,0,0,0,0|2,0,0]=4 3796 B14R1.6074 CC(=O)c1cc(ccc1OC(F)F)O 271570a_203496583355_100000179076 [0,2,0,0,0,0|2,0,0]=4 3797 B14R1.6074 CC(=O)c1cc(ccc1SC(C)C)Br 62a_100012349576_100000210206 [0,2,0,0,0,0|1,1,0]=4 3798 B14R1.6074 CC(=O)c1cc(ccc1SC(C)C)C 62a_100000210206_100012361225 [0,2,0,0,0,0|1,1,0]=4 3799 B14R1.6074 CC(=O)c1cc(ccc1SC(C)C)C 62a_100012361225_100000210206 [0,2,0,0,0,0|1,1,0]=4 3800 B14R1.6074 CC(=O)c1cc(ccc1SC(C)C)F 62a_100000210206_100010200798 [0,2,0,0,0,0|1,1,0]=4 3801 B14R1.6074 CC(=O)c1cc(ccc1SC(C)C)F 62a_100012353695_100000210206 [0,2,0,0,0,0|1,1,0]=4 3802 B14R1.6074 CC(=O)c1cc(ccc1SC(C)C)N 62a_100012349454_100000210206 [0,2,0,0,0,0|1,1,0]=4 3803 B14R1.6074 CC(C)Nc1ccc(cc1C(=O)N)Br 27a_100138425928_200000162314 [0,2,0,0,0,0|1,0,0]=3 3804 B14R1.6074 CC(C)Nc1ccc(cc1C(=O)N)Br 34a_100000740421_100000210206 [0,2,0,0,0,0|1,0,0]=3 3805 B14R1.6074 CC(C)Nc1ccc(cc1C(=O)N)Br 7a_100000740421_100000210206 [0,2,0,0,0,0|1,0,0]=3 3806 B14R1.6074 CC(C)Nc1ccc(cc1C(=O)N)Cl 34a_100000743835_100000210206 [0,2,0,0,0,0|1,0,0]=3 3807 B14R1.6074 CC(C)Nc1ccc(cc1C(=O)N)Cl 7a_100000743835_100000210206 [0,2,0,0,0,0|1,0,0]=3 3808 B14R1.6074 CC(C)Nc1ccc(cc1C(=O)N)F 34a_100000741173_100000210206 [0,2,0,0,0,0|1,0,0]=3 3809 B14R1.6074 CC(C)Nc1ccc(cc1C(=O)N)F 7a_100000741173_100000210206 [0,2,0,0,0,0|1,0,0]=3 3810 B14R1.6074 CC(C)Nc1ncc(cc1C(=O)N)F 27a_100138425928_100012183597 [0,2,0,0,0,0|2,0,0]=4 3811 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)Br 34a_100000192807_100000210206 [0,2,0,0,0,0|0,0,0]=2 3812 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)Br 7a_100000192807_100000210206 [0,2,0,0,0,0|0,0,0]=2 3813 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)Cl 34a_100000185026_100000210206 [0,2,0,0,0,0|0,0,0]=2 3814 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)Cl 7a_100000185026_100000210206 [0,2,0,0,0,0|0,0,0]=2 3815 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)F 34a_100012186459_100000210206 [0,2,0,0,0,0|0,0,0]=2 3816 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)F 7a_100012186459_100000210206 [0,2,0,0,0,0|0,0,0]=2 3817 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)I 34a_100000192813_100000210206 [0,2,0,0,0,0|0,0,0]=2 3818 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)I 7a_100000192813_100000210206 [0,2,0,0,0,0|0,0,0]=2 3819 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)[13CH3])Br 1458a_200000243792_200025704644 [0,2,0,0,0,0|1,0,0]=3 3820 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000744665_200025704644 [0,2,0,0,0,0|1,0,0]=3 3821 B14R1.6074 CC(C)Oc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_100000210206 [0,2,0,0,0,0|1,0,1]=4 3822 B14R1.6074 CC(C)Oc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_100000210206 [0,2,0,0,0,0|1,0,1]=4 3823 B14R1.6074 CC(C)Oc1ccc(cc1[C@H](C)N)F 34a_100160469477_100000210206 [0,2,0,0,0,0|1,0,1]=4 3824 B14R1.6074 CC(C)Oc1ccc(cc1[C@H](C)N)F 7a_100160469477_100000210206 [0,2,0,0,0,0|1,0,1]=4 3825 B14R1.6074 CC(C)Oc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_100000210206 [0,2,0,0,0,0|2,0,0]=4 3826 B14R1.6074 CC(C)Oc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_100000210206 [0,2,0,0,0,0|2,0,0]=4 3827 B14R1.6074 CC(C)Oc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_100000210206 [0,2,0,0,0,0|2,0,0]=4 3828 B14R1.6074 CC(C)Oc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_100000210206 [0,2,0,0,0,0|2,0,0]=4 3829 B14R1.6074 CC(C)Oc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_100000210206 [0,2,0,0,0,0|2,0,0]=4 3830 B14R1.6074 CC(C)Oc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_100000210206 [0,2,0,0,0,0|2,0,0]=4 3831 B14R1.6074 CC(C)Oc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_100000210206 [0,2,0,0,0,0|2,0,0]=4 3832 B14R1.6074 CC(C)Oc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_100000210206 [0,2,0,0,0,0|2,0,0]=4 3833 B14R1.6074 CC(C)Oc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_100000210206 [0,2,0,0,0,0|2,0,0]=4 3834 B14R1.6074 CC(C)Sc1ccc(cc1C(=O)N)Br 62a_200000162314_100000210206 [0,2,0,0,0,0|0,1,0]=3 3835 B14R1.6074 CC(C)Sc1ccc(cc1C(=O)N)F 62a_100000206434_100000210206 [0,2,0,0,0,0|0,1,0]=3 3836 B14R1.6074 CC(C)Sc1ccc(cc1C(=O)N)F 62a_100000210206_100000206434 [0,2,0,0,0,0|0,1,0]=3 3837 B14R1.6074 CC(C)Sc1ccc(cc1C(=O)N)N 62a_100015186447_100000210206 [0,2,0,0,0,0|0,1,0]=3 3838 B14R1.6074 CC(C)Sc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210206 [0,2,0,0,0,0|1,1,0]=4 3839 B14R1.6074 CC(C)Sc1ncc(cc1C(=O)N)F 62a_100000210206_100012183597 [0,2,0,0,0,0|1,1,0]=4 3840 B14R1.6074 CC(C)Sc1ncc(cc1C(=O)N)F 62a_100012183597_100000210206 [0,2,0,0,0,0|1,1,0]=4 3841 B14R1.6074 Cc1ccc(c(c1)C(=O)N)NC(C)C 34a_100011692829_100000210206 [0,2,0,0,0,0|1,0,0]=3 3842 B14R1.6074 Cc1ccc(c(c1)C(=O)N)OC(C)C 34a_200000192840_100000210206 [0,2,0,0,0,0|0,0,0]=2 3843 B14R1.6074 Cc1ccc(c(c1)C(=O)N)OC(C)C 7a_200000192840_100000210206 [0,2,0,0,0,0|0,0,0]=2 3844 B14R1.6074 Cc1ccc(c(c1)C(=O)N)SC(C)C 62a_100000210206_200012349609 [0,2,0,0,0,0|0,1,0]=3 3845 B14R1.6074 Cc1ccc(c(c1)C(=O)N)SC(C)C 62a_200012349609_100000210206 [0,2,0,0,0,0|0,1,0]=3 3846 B14R1.6074 Cc1ccc(c(c1)[N+](=O)[O-])OC(C)C 34a_100000195567_100000210206 [0,2,0,0,0,0|2,0,0]=4 3847 B14R1.6074 Cc1ccc(c(c1)[N+](=O)[O-])OC(C)C 7a_100000195567_100000210206 [0,2,0,0,0,0|2,0,0]=4 3848 B14R1.6074 [13CH3]C(=O)c1cc(ccc1OC(F)F)Br 1458a_100000759194_200025704644 [0,2,0,0,0,0|2,0,0]=4 3849 B14R1.6074 [13CH3]C(=O)c1cc(ccc1OC(F)F)F 1458a_100011830240_200025704644 [0,2,0,0,0,0|2,0,0]=4 3850 B14R1.6722 CCNc1ccc(cc1S(=O)(=O)N)Br 34a_100011388931_100000210202 [0,2,0,0,0,0|2,0,0]=4 3851 B14R1.6722 CCNc1ccc(cc1S(=O)(=O)N)C 34a_100000076701_100000210202 [0,2,0,0,0,0|2,0,0]=4 3852 B14R1.6722 CCNc1ccc(cc1S(=O)(=O)N)Cl 34a_100011290893_100000210202 [0,2,0,0,0,0|2,0,0]=4 3853 B14R1.6722 CCNc1ccc(cc1S(=O)(=O)N)F 34a_100011388930_100000210202 [0,2,0,0,0,0|2,0,0]=4 3854 B14R1.6722 CCOc1ccc(cc1S(=O)(=O)C)Br 34a_200015712519_100000210202 [0,2,0,0,0,0|2,0,0]=4 3855 B14R1.6722 CCOc1ccc(cc1S(=O)(=O)C)Br 7a_200015712519_100000210202 [0,2,0,0,0,0|2,0,0]=4 3856 B14R1.6722 CCOc1ccc(cc1S(=O)(=O)N)O 271570a_203496583355_100000164517 [0,2,0,0,0,0|1,0,0]=3 3857 B14R1.6722 CCSc1ccc(cc1S(=O)(=O)N)F 62a_200011831050_100000210202 [0,2,0,0,0,0|1,1,0]=4 3858 B14R1.10275 CC(=O)c1cc(c(cc1OCF)Br)C 34a_100009816031_100015361967 [0,2,0,0,0,0|2,0,0]=4 3859 B14R1.10275 CC(=O)c1cc(c(cc1OCF)Br)C 7a_100009816031_100015361967 [0,2,0,0,0,0|2,0,0]=4 3860 B14R1.10275 CC(=O)c1cc(c(cc1OCF)Br)F 34a_200010245088_100015361967 [0,2,0,0,0,0|2,0,0]=4 3861 B14R1.10275 CC(=O)c1cc(c(cc1OCF)Br)F 7a_200010245088_100015361967 [0,2,0,0,0,0|2,0,0]=4 3862 B14R1.10275 CC(=O)c1cc(c(cc1OCF)C)Br 34a_200010233951_100015361967 [0,2,0,0,0,0|2,0,0]=4 3863 B14R1.10275 CC(=O)c1cc(c(cc1OCF)C)Br 7a_200010233951_100015361967 [0,2,0,0,0,0|2,0,0]=4 3864 B14R1.10275 CC(=O)c1cc(c(cc1OCF)C)C 34a_100000014572_100015361967 [0,2,0,0,0,0|2,0,0]=4 3865 B14R1.10275 CC(=O)c1cc(c(cc1OCF)C)C 7a_100000014572_100015361967 [0,2,0,0,0,0|2,0,0]=4 3866 B14R1.10275 CC(=O)c1cc(c(cc1OCF)C)Cl 34a_100000014566_100015361967 [0,2,0,0,0,0|2,0,0]=4 3867 B14R1.10275 CC(=O)c1cc(c(cc1OCF)C)Cl 7a_100000014566_100015361967 [0,2,0,0,0,0|2,0,0]=4 3868 B14R1.10275 CC(=O)c1cc(c(cc1OCF)Cl)Cl 34a_100000720105_100015361967 [0,2,0,0,0,0|2,0,0]=4 3869 B14R1.10275 CC(=O)c1cc(c(cc1OCF)Cl)Cl 7a_100000720105_100015361967 [0,2,0,0,0,0|2,0,0]=4 3870 B14R1.10275 CC(=O)c1cc(c(cc1OCF)F)Br 34a_100000691652_100015361967 [0,2,0,0,0,0|2,0,0]=4 3871 B14R1.10275 CC(=O)c1cc(c(cc1OCF)F)Br 7a_100000691652_100015361967 [0,2,0,0,0,0|2,0,0]=4 3872 B14R1.10275 CCNc1cc(c(cc1C(=O)N)Br)F 34a_100015444839_100000210202 [0,2,0,0,0,0|1,0,0]=3 3873 B14R1.10275 CCNc1cc(c(cc1C(=O)N)Br)F 7a_100015444839_100000210202 [0,2,0,0,0,0|1,0,0]=3 3874 B14R1.10275 CCOc1cc(c(cc1C(=O)C)Br)C 34a_200010233951_100000210202 [0,2,0,0,0,0|1,0,0]=3 3875 B14R1.10275 CCOc1cc(c(cc1C(=O)C)Br)C 7a_200010233951_100000210202 [0,2,0,0,0,0|1,0,0]=3 3876 B14R1.10275 CCOc1cc(c(cc1C(=O)C)Br)F 34a_100000691652_100000210202 [0,2,0,0,0,0|1,0,0]=3 3877 B14R1.10275 CCOc1cc(c(cc1C(=O)C)Br)F 7a_100000691652_100000210202 [0,2,0,0,0,0|1,0,0]=3 3878 B14R1.10275 CCOc1cc(c(cc1C(=O)C)C)Br 34a_100009816031_100000210202 [0,2,0,0,0,0|1,0,0]=3 3879 B14R1.10275 CCOc1cc(c(cc1C(=O)C)C)Br 7a_100009816031_100000210202 [0,2,0,0,0,0|1,0,0]=3 3880 B14R1.10275 CCOc1cc(c(cc1C(=O)C)C)C 34a_100000014572_100000210202 [0,2,0,0,0,0|1,0,0]=3 3881 B14R1.10275 CCOc1cc(c(cc1C(=O)C)C)C 7a_100000014572_100000210202 [0,2,0,0,0,0|1,0,0]=3 3882 B14R1.10275 CCOc1cc(c(cc1C(=O)C)Cl)C 34a_100000014566_100000210202 [0,2,0,0,0,0|1,0,0]=3 3883 B14R1.10275 CCOc1cc(c(cc1C(=O)C)Cl)C 7a_100000014566_100000210202 [0,2,0,0,0,0|1,0,0]=3 3884 B14R1.10275 CCOc1cc(c(cc1C(=O)C)Cl)Cl 34a_100000720105_100000210202 [0,2,0,0,0,0|1,0,0]=3 3885 B14R1.10275 CCOc1cc(c(cc1C(=O)C)Cl)Cl 7a_100000720105_100000210202 [0,2,0,0,0,0|1,0,0]=3 3886 B14R1.10275 CCOc1cc(c(cc1C(=O)C)F)Br 34a_200010245088_100000210202 [0,2,0,0,0,0|1,0,0]=3 3887 B14R1.10275 CCOc1cc(c(cc1C(=O)C)F)Br 7a_200010245088_100000210202 [0,2,0,0,0,0|1,0,0]=3 3888 B14R1.10275 CCOc1cc(c(cc1C(=O)C)F)F 1458a_200010981649_200000210301 [0,2,0,0,0,0|1,0,0]=3 3889 B14R1.10275 CCOc1cc(c(cc1C(=O)[13CH3])F)F 1458a_200010981649_200025704644 [0,2,0,0,0,0|1,0,0]=3 3890 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])Br)C 34a_100012351188_100000210202 [0,2,0,0,0,0|2,0,0]=4 3891 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])Br)C 7a_100012351188_100000210202 [0,2,0,0,0,0|2,0,0]=4 3892 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])Br)Cl 7a_100014909177_100000210202 [0,2,0,0,0,0|2,0,0]=4 3893 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])Br)F 34a_100000718853_100000210202 [0,2,0,0,0,0|2,0,0]=4 3894 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])Br)F 7a_100000718853_100000210202 [0,2,0,0,0,0|2,0,0]=4 3895 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])C)Cl 34a_200009838783_100000210202 [0,2,0,0,0,0|2,0,0]=4 3896 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])C)Cl 7a_200009838783_100000210202 [0,2,0,0,0,0|2,0,0]=4 3897 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])C)F 34a_100012182840_100000210202 [0,2,0,0,0,0|2,0,0]=4 3898 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])C)F 7a_100012182840_100000210202 [0,2,0,0,0,0|2,0,0]=4 3899 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])Cl)Br 7a_100010381898_100000210202 [0,2,0,0,0,0|2,0,0]=4 3900 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])Cl)C 34a_100011215964_100000210202 [0,2,0,0,0,0|2,0,0]=4 3901 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])Cl)C 7a_100011215964_100000210202 [0,2,0,0,0,0|2,0,0]=4 3902 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])Cl)Cl 34a_100000717957_100000210202 [0,2,0,0,0,0|2,0,0]=4 3903 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])Cl)Cl 7a_100000717957_100000210202 [0,2,0,0,0,0|2,0,0]=4 3904 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])Cl)F 34a_100000724970_100000210202 [0,2,0,0,0,0|2,0,0]=4 3905 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])Cl)F 7a_100000724970_100000210202 [0,2,0,0,0,0|2,0,0]=4 3906 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])F)Br 34a_100013631521_100000210202 [0,2,0,0,0,0|2,0,0]=4 3907 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])F)Br 7a_100013631521_100000210202 [0,2,0,0,0,0|2,0,0]=4 3908 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])F)C 34a_100012175661_100000210202 [0,2,0,0,0,0|2,0,0]=4 3909 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])F)C 7a_100012175661_100000210202 [0,2,0,0,0,0|2,0,0]=4 3910 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])F)Cl 34a_100012183888_100000210202 [0,2,0,0,0,0|2,0,0]=4 3911 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])F)Cl 7a_100012183888_100000210202 [0,2,0,0,0,0|2,0,0]=4 3912 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])F)F 34a_100000688940_100000210202 [0,2,0,0,0,0|2,0,0]=4 3913 B14R1.10275 CCOc1cc(c(cc1[N+](=O)[O-])F)F 7a_100000688940_100000210202 [0,2,0,0,0,0|2,0,0]=4 3914 B14R1.10275 CCSc1cc(c(cc1C(=O)C)F)F 62a_100013243444_100000210202 [0,2,0,0,0,0|1,1,0]=4 3915 B14R1.10275 NC(=O)c1cc(c(cc1NCF)F)Br 34a_100015444839_100015361967 [0,2,0,0,0,0|2,0,0]=4 3916 B14R1.10275 NC(=O)c1cc(c(cc1NCF)F)Br 7a_100015444839_100015361967 [0,2,0,0,0,0|2,0,0]=4 3917 B14R1.14774 C=C(C)c1cc(cc(c1OCC)Cl)F 271570a_100000694244_100135264980 [0,2,0,0,0,0|2,0,0]=4 3918 B14R1.14774 C=C(C)c1cc(cc(c1OCC)N)F 271570a_100000694244_100011190658 [0,2,0,0,0,0|2,0,0]=4 3919 B14R1.14774 CC(=O)c1cc(cc(c1OCF)Br)Br 7a_100000212130_100015361967 [0,2,0,0,0,0|2,0,0]=4 3920 B14R1.14774 CC(=O)c1cc(cc(c1OCF)Br)C 7a_100011659362_100015361967 [0,2,0,0,0,0|2,0,0]=4 3921 B14R1.14774 CC(=O)c1cc(cc(c1OCF)Br)Cl 7a_100011218835_100015361967 [0,2,0,0,0,0|2,0,0]=4 3922 B14R1.14774 CC(=O)c1cc(cc(c1OCF)C)C 34a_100000188341_100015361967 [0,2,0,0,0,0|2,0,0]=4 3923 B14R1.14774 CC(=O)c1cc(cc(c1OCF)C)C 7a_100000188341_100015361967 [0,2,0,0,0,0|2,0,0]=4 3924 B14R1.14774 CC(=O)c1cc(cc(c1OCF)Cl)C 34a_100010659243_100015361967 [0,2,0,0,0,0|2,0,0]=4 3925 B14R1.14774 CC(=O)c1cc(cc(c1OCF)Cl)C 7a_100010659243_100015361967 [0,2,0,0,0,0|2,0,0]=4 3926 B14R1.14774 CC(=O)c1cc(cc(c1OCF)Cl)Cl 7a_100000182809_100015361967 [0,2,0,0,0,0|2,0,0]=4 3927 B14R1.14774 CC(=O)c1cc(cc(c1OCF)Cl)F 34a_100011659368_100015361967 [0,2,0,0,0,0|2,0,0]=4 3928 B14R1.14774 CC(=O)c1cc(cc(c1OCF)Cl)F 7a_100011659368_100015361967 [0,2,0,0,0,0|2,0,0]=4 3929 B14R1.14774 CC(=O)c1cc(cc(c1OCF)F)F 34a_100000751779_100015361967 [0,2,0,0,0,0|2,0,0]=4 3930 B14R1.14774 CC(=O)c1cc(cc(c1OCF)F)F 7a_100000751779_100015361967 [0,2,0,0,0,0|2,0,0]=4 3931 B14R1.14774 CCNc1c(cc(cc1C(=O)N)Cl)C 34a_200000101212_100000210202 [0,2,0,0,0,0|1,0,0]=3 3932 B14R1.14774 CCNc1c(cc(cc1C(=O)N)Cl)C 7a_200000101212_100000210202 [0,2,0,0,0,0|1,0,0]=3 3933 B14R1.14774 CCOc1c(cc(cc1C(=O)C)Br)Br 7a_100000212130_100000210202 [0,2,0,0,0,0|1,0,0]=3 3934 B14R1.14774 CCOc1c(cc(cc1C(=O)C)C)Br 7a_100011659362_100000210202 [0,2,0,0,0,0|1,0,0]=3 3935 B14R1.14774 CCOc1c(cc(cc1C(=O)C)C)C 34a_100000188341_100000210202 [0,2,0,0,0,0|1,0,0]=3 3936 B14R1.14774 CCOc1c(cc(cc1C(=O)C)C)C 7a_100000188341_100000210202 [0,2,0,0,0,0|1,0,0]=3 3937 B14R1.14774 CCOc1c(cc(cc1C(=O)C)C)Cl 34a_100010659243_100000210202 [0,2,0,0,0,0|1,0,0]=3 3938 B14R1.14774 CCOc1c(cc(cc1C(=O)C)C)Cl 7a_100010659243_100000210202 [0,2,0,0,0,0|1,0,0]=3 3939 B14R1.14774 CCOc1c(cc(cc1C(=O)C)Cl)Br 7a_100011218835_100000210202 [0,2,0,0,0,0|1,0,0]=3 3940 B14R1.14774 CCOc1c(cc(cc1C(=O)C)Cl)Cl 7a_100000182809_100000210202 [0,2,0,0,0,0|1,0,0]=3 3941 B14R1.14774 CCOc1c(cc(cc1C(=O)C)F)Cl 34a_100011659368_100000210202 [0,2,0,0,0,0|1,0,0]=3 3942 B14R1.14774 CCOc1c(cc(cc1C(=O)C)F)Cl 7a_100011659368_100000210202 [0,2,0,0,0,0|1,0,0]=3 3943 B14R1.14774 CCOc1c(cc(cc1C(=O)C)F)F 1458a_100000061420_200000210301 [0,2,0,0,0,0|1,0,0]=3 3944 B14R1.14774 CCOc1c(cc(cc1C(=O)C)F)F 34a_100000751779_100000210202 [0,2,0,0,0,0|1,0,0]=3 3945 B14R1.14774 CCOc1c(cc(cc1C(=O)C)F)F 7a_100000751779_100000210202 [0,2,0,0,0,0|1,0,0]=3 3946 B14R1.14774 CCOc1c(cc(cc1C(=O)N)Br)Br 34a_200009812496_100000210202 [0,2,0,0,0,0|0,0,0]=2 3947 B14R1.14774 CCOc1c(cc(cc1C(=O)N)Br)Br 7a_200009812496_100000210202 [0,2,0,0,0,0|0,0,0]=2 3948 B14R1.14774 CCOc1c(cc(cc1C(=O)N)F)I 34a_200135271384_100000210202 [0,2,0,0,0,0|0,0,0]=2 3949 B14R1.14774 CCOc1c(cc(cc1C(=O)N)F)I 7a_200135271384_100000210202 [0,2,0,0,0,0|0,0,0]=2 3950 B14R1.14774 CCOc1c(cc(cc1C(=O)[13CH3])F)F 1458a_100000061420_200025704644 [0,2,0,0,0,0|1,0,0]=3 3951 B14R1.14774 CCOc1c(cc(cc1[N+](=O)[O-])Br)C 34a_100000684574_100000210202 [0,2,0,0,0,0|2,0,0]=4 3952 B14R1.14774 CCOc1c(cc(cc1[N+](=O)[O-])Br)C 7a_100000684574_100000210202 [0,2,0,0,0,0|2,0,0]=4 3953 B14R1.14774 CCOc1c(cc(cc1[N+](=O)[O-])Br)Cl 7a_100000717539_100000210202 [0,2,0,0,0,0|2,0,0]=4 3954 B14R1.14774 CCOc1c(cc(cc1[N+](=O)[O-])Br)F 34a_100011218681_100000210202 [0,2,0,0,0,0|2,0,0]=4 3955 B14R1.14774 CCOc1c(cc(cc1[N+](=O)[O-])Br)F 7a_100011218681_100000210202 [0,2,0,0,0,0|2,0,0]=4 3956 B14R1.14774 CCOc1c(cc(cc1[N+](=O)[O-])C)C 7a_100000195569_100000210202 [0,2,0,0,0,0|2,0,0]=4 3957 B14R1.14774 CCOc1c(cc(cc1[N+](=O)[O-])F)Br 34a_100000244768_100000210202 [0,2,0,0,0,0|2,0,0]=4 3958 B14R1.14774 CCOc1c(cc(cc1[N+](=O)[O-])F)C 34a_100010988975_100000210202 [0,2,0,0,0,0|2,0,0]=4 3959 B14R1.14774 CCOc1c(cc(cc1[N+](=O)[O-])F)C 7a_100010988975_100000210202 [0,2,0,0,0,0|2,0,0]=4 3960 B14R1.14774 CCOc1c(cc(cc1[N+](=O)[O-])F)F 34a_100011217088_100000210202 [0,2,0,0,0,0|2,0,0]=4 3961 B14R1.14774 CCOc1c(cc(cc1[N+](=O)[O-])F)F 7a_100011217088_100000210202 [0,2,0,0,0,0|2,0,0]=4 3962 B14R1.14774 CNCc1c(cc(cc1C(=O)N)Br)Br 26a_100102657272_200009812496 [0,2,0,0,0,0|2,0,0]=4 3963 B14R1.14774 Cc1cc(cc(c1NCF)C(=O)N)Cl 34a_200000101212_100015361967 [0,2,0,0,0,0|2,0,0]=4 3964 B14R1.14774 Cc1cc(cc(c1NCF)C(=O)N)Cl 7a_200000101212_100015361967 [0,2,0,0,0,0|2,0,0]=4 3965 B14R1.14774 NC(=O)c1cc(cc(c1OCF)Br)Br 34a_200009812496_100015361967 [0,2,0,0,0,0|1,0,0]=3 3966 B14R1.14774 NC(=O)c1cc(cc(c1OCF)Br)Br 7a_200009812496_100015361967 [0,2,0,0,0,0|1,0,0]=3 3967 B14R1.14774 NC(=O)c1cc(cc(c1OCF)I)F 34a_200135271384_100015361967 [0,2,0,0,0,0|1,0,0]=3 3968 B14R1.14774 NC(=O)c1cc(cc(c1OCF)I)F 7a_200135271384_100015361967 [0,2,0,0,0,0|1,0,0]=3 3969 B14R1.164 C=C(C)c1ccc(cc1OC(C)C)F 271570a_100000694244_200012359391 [0,2,0,0,0,0|2,0,0]=4 3970 B14R1.164 CC(=Cc1cc(ccc1C(=O)N)Br)C 271570a_100102525489_100009815748 [0,2,0,0,0,0|1,0,1]=4 3971 B14R1.164 CC(=Cc1cc(ccc1C(=O)N)F)C 271570a_100102525489_100000206404 [0,2,0,0,0,0|1,0,1]=4 3972 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)Br 1626a_100012349972_100015343762 [0,2,0,0,0,0|1,0,1]=4 3973 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)C 11a_100011219537_100015343762 [0,2,0,0,0,0|1,0,1]=4 3974 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)C 1626a_100011219537_100015343762 [0,2,0,0,0,0|1,0,1]=4 3975 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)C 22a_100011219537_100000070787 [0,2,0,0,0,0|1,0,1]=4 3976 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)Cl 11a_100000738103_100015343762 [0,2,0,0,0,0|1,0,1]=4 3977 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)Cl 1626a_100000738103_100015343762 [0,2,0,0,0,0|1,0,1]=4 3978 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)F 11a_100011298637_100015343762 [0,2,0,0,0,0|1,0,1]=4 3979 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)F 1626a_100011298637_100015343762 [0,2,0,0,0,0|1,0,1]=4 3980 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)F 22a_100011298637_100000070787 [0,2,0,0,0,0|1,0,1]=4 3981 B14R1.164 CC(=O)Nc1cc(ccc1C(=O)N)O 22a_100012186684_100000070787 [0,2,0,0,0,0|1,0,1]=4 3982 B14R1.164 CC(=O)c1ccc(cc1NC(C)C)F 27a_100138425928_100000686192 [0,2,0,0,0,0|2,0,0]=4 3983 B14R1.164 CC(=O)c1ccc(cc1OC(C)C)Br 7a_100000188348_100000210206 [0,2,0,0,0,0|1,0,0]=3 3984 B14R1.164 CC(=O)c1ccc(cc1OC(C)C)C 34a_100000234885_100000210206 [0,2,0,0,0,0|1,0,0]=3 3985 B14R1.164 CC(=O)c1ccc(cc1OC(C)C)C 7a_100000234885_100000210206 [0,2,0,0,0,0|1,0,0]=3 3986 B14R1.164 CC(=O)c1ccc(cc1OC(C)C)Cl 34a_100000061402_100000210206 [0,2,0,0,0,0|1,0,0]=3 3987 B14R1.164 CC(=O)c1ccc(cc1OC(C)C)Cl 7a_100000061402_100000210206 [0,2,0,0,0,0|1,0,0]=3 3988 B14R1.164 CC(=O)c1ccc(cc1OC(C)C)F 7a_100011215782_100000210206 [0,2,0,0,0,0|1,0,0]=3 3989 B14R1.164 CC(=O)c1ccc(cc1OC(F)F)Cl 1458a_200011466174_200000210301 [0,2,0,0,0,0|2,0,0]=4 3990 B14R1.164 CC(=O)c1ccc(cc1SC(C)C)C 62a_100000210206_100012353930 [0,2,0,0,0,0|1,1,0]=4 3991 B14R1.164 CC(=O)c1ccc(cc1SC(C)C)C 62a_100012353930_100000210206 [0,2,0,0,0,0|1,1,0]=4 3992 B14R1.164 CC(=O)c1ccc(cc1SC(C)C)F 62a_100000686192_100000210206 [0,2,0,0,0,0|1,1,0]=4 3993 B14R1.164 CC(=O)c1ccc(cc1SC(C)C)O 62a_100012340537_100000210206 [0,2,0,0,0,0|1,1,0]=4 3994 B14R1.164 CC(C)Nc1cc(ccc1C(=O)N)Br 27a_100138425928_100009815748 [0,2,0,0,0,0|1,0,0]=3 3995 B14R1.164 CC(C)Nc1cc(ccc1C(=O)N)Br 7a_100012349972_100000210206 [0,2,0,0,0,0|1,0,0]=3 3996 B14R1.164 CC(C)Nc1cc(ccc1C(=O)N)Cl 34a_100000738103_100000210206 [0,2,0,0,0,0|1,0,0]=3 3997 B14R1.164 CC(C)Nc1cc(ccc1C(=O)N)Cl 7a_100000738103_100000210206 [0,2,0,0,0,0|1,0,0]=3 3998 B14R1.164 CC(C)Nc1cc(ccc1C(=O)N)F 27a_100138425928_100000206404 [0,2,0,0,0,0|1,0,0]=3 3999 B14R1.164 CC(C)Nc1cc(ccc1C(=O)N)F 34a_100011298637_100000210206 [0,2,0,0,0,0|1,0,0]=3 4000 B14R1.164 CC(C)Oc1cc(ccc1C(=O)N)Br 34a_100011550861_100000210206 [0,2,0,0,0,0|0,0,0]=2 4001 B14R1.164 CC(C)Oc1cc(ccc1C(=O)N)Br 7a_100011550861_100000210206 [0,2,0,0,0,0|0,0,0]=2 4002 B14R1.164 CC(C)Oc1cc(ccc1C(=O)N)Cl 34a_100000192836_100000210206 [0,2,0,0,0,0|0,0,0]=2 4003 B14R1.164 CC(C)Oc1cc(ccc1C(=O)N)Cl 7a_100000192836_100000210206 [0,2,0,0,0,0|0,0,0]=2 4004 B14R1.164 CC(C)Oc1cc(ccc1C(=O)N)N 34a_100000223280_100000210206 [0,2,0,0,0,0|0,0,0]=2 4005 B14R1.164 CC(C)Oc1cc(ccc1C(=O)N)N 7a_100000223280_100000210206 [0,2,0,0,0,0|0,0,0]=2 4006 B14R1.164 CC(C)Oc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_100000210206 [0,2,0,0,0,0|2,0,0]=4 4007 B14R1.164 CC(C)Oc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_100000210206 [0,2,0,0,0,0|2,0,0]=4 4008 B14R1.164 CC(C)Oc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_100000210206 [0,2,0,0,0,0|2,0,0]=4 4009 B14R1.164 CC(C)Oc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_100000210206 [0,2,0,0,0,0|2,0,0]=4 4010 B14R1.164 CC(C)Oc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_100000210206 [0,2,0,0,0,0|2,0,0]=4 4011 B14R1.164 CC(C)Oc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_100000210206 [0,2,0,0,0,0|2,0,0]=4 4012 B14R1.164 CC(C)Sc1cc(ccc1C(=O)N)Br 62a_100009815748_100000210206 [0,2,0,0,0,0|0,1,0]=3 4013 B14R1.164 CC(C)Sc1cc(ccc1C(=O)N)F 62a_100000206404_100000210206 [0,2,0,0,0,0|0,1,0]=3 4014 B14R1.164 CC(C)Sc1cc(ccc1C(=O)N)F 62a_100000210206_100000206404 [0,2,0,0,0,0|0,1,0]=3 4015 B14R1.164 Cc1ccc(c(c1)NC(C)C)C(=O)N 34a_100011219537_100000210206 [0,2,0,0,0,0|1,0,0]=3 4016 B14R1.164 Cc1ccc(c(c1)NC(C)C)C(=O)N 7a_100011219537_100000210206 [0,2,0,0,0,0|1,0,0]=3 4017 B14R1.164 Cc1ccc(c(c1)OC(C)C)C(=O)N 34a_100000192831_100000210206 [0,2,0,0,0,0|0,0,0]=2 4018 B14R1.164 Cc1ccc(c(c1)OC(C)C)C(=O)N 7a_100000192831_100000210206 [0,2,0,0,0,0|0,0,0]=2 4019 B14R1.164 Cc1ccc(c(c1)OC(C)C)[N+](=O)[O-] 34a_100000195450_100000210206 [0,2,0,0,0,0|2,0,0]=4 4020 B14R1.164 Cc1ccc(c(c1)OC(C)C)[N+](=O)[O-] 7a_100000195450_100000210206 [0,2,0,0,0,0|2,0,0]=4 4021 B14R1.164 Cc1ccc(c(n1)NC(C)C)C(=O)N 27a_100138425928_100000041523 [0,2,0,0,0,0|2,0,0]=4 4022 B14R1.164 Cc1ccc(c(n1)SC(C)C)C(=O)N 62a_100000041523_100000210206 [0,2,0,0,0,0|1,1,0]=4 4023 B14R1.164 Cc1ccc(c(n1)SC(C)C)C(=O)N 62a_100000210206_100000041523 [0,2,0,0,0,0|1,1,0]=4 4024 B14R1.164 [13CH3]C(=O)c1ccc(cc1OC(F)F)Cl 1458a_200011466174_200025704644 [0,2,0,0,0,0|2,0,0]=4 4025 B14R1.440 CCNc1cc(ccc1S(=O)(=O)N)F 27a_100015525214_100011218482 [0,2,0,0,0,0|2,0,0]=4 4026 B14R1.440 CCSc1cc(ccc1S(=O)(=O)N)F 62a_100011218482_100000210202 [0,2,0,0,0,0|1,1,0]=4 4027 B14R1.760 C#CCNc1cc(ccc1C(=O)N)Br 27a_100000212058_100009815748 [0,2,0,0,0,0|1,0,1]=4 4028 B14R1.760 C#CCNc1cc(ccc1C(=O)N)Br 7a_100012349972_100000038162 [0,2,0,0,0,0|1,0,1]=4 4029 B14R1.760 C#CCNc1cc(ccc1C(=O)N)C 34a_100011219537_100000184674 [0,2,0,0,0,0|1,0,1]=4 4030 B14R1.760 C#CCNc1cc(ccc1C(=O)N)C 7a_100011219537_100000038162 [0,2,0,0,0,0|1,0,1]=4 4031 B14R1.760 C#CCNc1cc(ccc1C(=O)N)Cl 34a_100000738103_100000184674 [0,2,0,0,0,0|1,0,1]=4 4032 B14R1.760 C#CCNc1cc(ccc1C(=O)N)Cl 7a_100000738103_100000038162 [0,2,0,0,0,0|1,0,1]=4 4033 B14R1.760 C#CCNc1cc(ccc1C(=O)N)F 27a_100000212058_100000206404 [0,2,0,0,0,0|1,0,1]=4 4034 B14R1.760 C#CCNc1cc(ccc1C(=O)N)F 34a_100011298637_100000184674 [0,2,0,0,0,0|1,0,1]=4 4035 B14R1.760 C#CCOc1cc(ccc1C(=O)C)Br 7a_100000188348_100000038162 [0,2,0,0,0,0|1,0,1]=4 4036 B14R1.760 C#CCOc1cc(ccc1C(=O)C)C 34a_100000234885_100000184674 [0,2,0,0,0,0|1,0,1]=4 4037 B14R1.760 C#CCOc1cc(ccc1C(=O)C)C 7a_100000234885_100000038162 [0,2,0,0,0,0|1,0,1]=4 4038 B14R1.760 C#CCOc1cc(ccc1C(=O)C)Cl 34a_100000061402_100000184674 [0,2,0,0,0,0|1,0,1]=4 4039 B14R1.760 C#CCOc1cc(ccc1C(=O)C)Cl 7a_100000061402_100000038162 [0,2,0,0,0,0|1,0,1]=4 4040 B14R1.760 C#CCOc1cc(ccc1C(=O)C)F 7a_100011215782_100000038162 [0,2,0,0,0,0|1,0,1]=4 4041 B14R1.760 C#CCOc1cc(ccc1C(=O)N)Br 34a_100011550861_100000184674 [0,2,0,0,0,0|0,0,1]=3 4042 B14R1.760 C#CCOc1cc(ccc1C(=O)N)Br 7a_100011550861_100000038162 [0,2,0,0,0,0|0,0,1]=3 4043 B14R1.760 C#CCOc1cc(ccc1C(=O)N)C 34a_100000192831_100000184674 [0,2,0,0,0,0|0,0,1]=3 4044 B14R1.760 C#CCOc1cc(ccc1C(=O)N)C 7a_100000192831_100000038162 [0,2,0,0,0,0|0,0,1]=3 4045 B14R1.760 C#CCOc1cc(ccc1C(=O)N)Cl 34a_100000192836_100000184674 [0,2,0,0,0,0|0,0,1]=3 4046 B14R1.760 C#CCOc1cc(ccc1C(=O)N)Cl 7a_100000192836_100000038162 [0,2,0,0,0,0|0,0,1]=3 4047 B14R1.760 C#CCOc1cc(ccc1C(=O)N)N 34a_100000223280_100000184674 [0,2,0,0,0,0|0,0,1]=3 4048 B14R1.760 C#CCOc1cc(ccc1C(=O)N)N 7a_100000223280_100000038162 [0,2,0,0,0,0|0,0,1]=3 4049 B14R1.760 C#CCSc1cc(ccc1C(=O)N)F 62a_100000038162_100000206404 [0,2,0,0,0,0|0,1,1]=4 4050 B14R1.760 C=C(C)c1ccc(cc1OCCC)F 271570a_100000694244_200012344540 [0,2,0,0,0,0|2,0,0]=4 4051 B14R1.760 C=C(C)c1ccc(cc1OCOC)C 271570a_100000694244_200023989289 [0,2,0,0,0,0|2,0,0]=4 4052 B14R1.760 C=C(C)c1ccc(cc1OCOC)F 271570a_100000694244_200012568746 [0,2,0,0,0,0|2,0,0]=4 4053 B14R1.760 C=CCNc1cc(ccc1C(=O)N)Br 27a_100020586998_100009815748 [0,2,0,0,0,0|1,0,1]=4 4054 B14R1.760 C=CCNc1cc(ccc1C(=O)N)Br 7a_100012349972_100015514636 [0,2,0,0,0,0|1,0,1]=4 4055 B14R1.760 C=CCNc1cc(ccc1C(=O)N)C 34a_100011219537_100015514636 [0,2,0,0,0,0|1,0,1]=4 4056 B14R1.760 C=CCNc1cc(ccc1C(=O)N)C 7a_100011219537_100015514636 [0,2,0,0,0,0|1,0,1]=4 4057 B14R1.760 C=CCNc1cc(ccc1C(=O)N)Cl 34a_100000738103_100015514636 [0,2,0,0,0,0|1,0,1]=4 4058 B14R1.760 C=CCNc1cc(ccc1C(=O)N)Cl 7a_100000738103_100015514636 [0,2,0,0,0,0|1,0,1]=4 4059 B14R1.760 C=CCNc1cc(ccc1C(=O)N)F 27a_100020586998_100000206404 [0,2,0,0,0,0|1,0,1]=4 4060 B14R1.760 C=CCNc1cc(ccc1C(=O)N)F 34a_100011298637_100015514636 [0,2,0,0,0,0|1,0,1]=4 4061 B14R1.760 C=CCOc1cc(ccc1C(=O)C)Br 7a_100000188348_100015514636 [0,2,0,0,0,0|1,0,1]=4 4062 B14R1.760 C=CCOc1cc(ccc1C(=O)C)C 34a_100000234885_100015514636 [0,2,0,0,0,0|1,0,1]=4 4063 B14R1.760 C=CCOc1cc(ccc1C(=O)C)C 7a_100000234885_100015514636 [0,2,0,0,0,0|1,0,1]=4 4064 B14R1.760 C=CCOc1cc(ccc1C(=O)C)Cl 34a_100000061402_100015514636 [0,2,0,0,0,0|1,0,1]=4 4065 B14R1.760 C=CCOc1cc(ccc1C(=O)C)Cl 7a_100000061402_100015514636 [0,2,0,0,0,0|1,0,1]=4 4066 B14R1.760 C=CCOc1cc(ccc1C(=O)C)F 7a_100011215782_100015514636 [0,2,0,0,0,0|1,0,1]=4 4067 B14R1.760 C=CCOc1cc(ccc1C(=O)N)Br 34a_100011550861_100015514636 [0,2,0,0,0,0|0,0,1]=3 4068 B14R1.760 C=CCOc1cc(ccc1C(=O)N)Br 7a_100011550861_100015514636 [0,2,0,0,0,0|0,0,1]=3 4069 B14R1.760 C=CCOc1cc(ccc1C(=O)N)C 34a_100000192831_100015514636 [0,2,0,0,0,0|0,0,1]=3 4070 B14R1.760 C=CCOc1cc(ccc1C(=O)N)C 7a_100000192831_100015514636 [0,2,0,0,0,0|0,0,1]=3 4071 B14R1.760 C=CCOc1cc(ccc1C(=O)N)Cl 34a_100000192836_100015514636 [0,2,0,0,0,0|0,0,1]=3 4072 B14R1.760 C=CCOc1cc(ccc1C(=O)N)Cl 7a_100000192836_100015514636 [0,2,0,0,0,0|0,0,1]=3 4073 B14R1.760 C=CCOc1cc(ccc1C(=O)N)N 34a_100000223280_100015514636 [0,2,0,0,0,0|0,0,1]=3 4074 B14R1.760 C=CCOc1cc(ccc1C(=O)N)N 7a_100000223280_100015514636 [0,2,0,0,0,0|0,0,1]=3 4075 B14R1.760 C=CCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100000210623 [0,2,0,0,0,0|0,1,1]=4 4076 B14R1.760 C=CCSc1cc(ccc1C(=O)N)F 62a_100000206404_100000210623 [0,2,0,0,0,0|0,1,1]=4 4077 B14R1.760 C=CCSc1cc(ccc1C(=O)N)F 62a_100000210623_100000206404 [0,2,0,0,0,0|0,1,1]=4 4078 B14R1.760 CC(=O)c1ccc(cc1NCCO)F 27a_100000210304_100000686192 [0,2,0,0,0,0|2,0,0]=4 4079 B14R1.760 CC(=O)c1ccc(cc1OCC#N)Br 7a_100000188348_100011215382 [0,2,0,0,0,0|1,0,1]=4 4080 B14R1.760 CC(=O)c1ccc(cc1OCC#N)C 7a_100000234885_100011215382 [0,2,0,0,0,0|1,0,1]=4 4081 B14R1.760 CC(=O)c1ccc(cc1OCC#N)Cl 7a_100000061402_100011215382 [0,2,0,0,0,0|1,0,1]=4 4082 B14R1.760 CC(=O)c1ccc(cc1OCC#N)F 7a_100011215782_100011215382 [0,2,0,0,0,0|1,0,1]=4 4083 B14R1.760 CC(=O)c1ccc(cc1OCC=O)Br 7a_100000188348_200015260668 [0,2,0,0,0,0|1,0,1]=4 4084 B14R1.760 CC(=O)c1ccc(cc1OCC=O)C 34a_100000234885_200009817547 [0,2,0,0,0,0|1,0,1]=4 4085 B14R1.760 CC(=O)c1ccc(cc1OCC=O)C 7a_100000234885_200015260668 [0,2,0,0,0,0|1,0,1]=4 4086 B14R1.760 CC(=O)c1ccc(cc1OCC=O)Cl 34a_100000061402_200009817547 [0,2,0,0,0,0|1,0,1]=4 4087 B14R1.760 CC(=O)c1ccc(cc1OCC=O)Cl 7a_100000061402_200015260668 [0,2,0,0,0,0|1,0,1]=4 4088 B14R1.760 CC(=O)c1ccc(cc1OCC=O)F 7a_100011215782_200015260668 [0,2,0,0,0,0|1,0,1]=4 4089 B14R1.760 CC(=O)c1ccc(cc1OCCF)Br 7a_100000188348_100011217306 [0,2,0,0,0,0|1,0,0]=3 4090 B14R1.760 CC(=O)c1ccc(cc1OCCF)C 34a_100000234885_100011217306 [0,2,0,0,0,0|1,0,0]=3 4091 B14R1.760 CC(=O)c1ccc(cc1OCCF)C 7a_100000234885_100011217306 [0,2,0,0,0,0|1,0,0]=3 4092 B14R1.760 CC(=O)c1ccc(cc1OCCF)Cl 34a_100000061402_100011217306 [0,2,0,0,0,0|1,0,0]=3 4093 B14R1.760 CC(=O)c1ccc(cc1OCCF)Cl 7a_100000061402_100011217306 [0,2,0,0,0,0|1,0,0]=3 4094 B14R1.760 CC(=O)c1ccc(cc1OCCF)F 7a_100011215782_100011217306 [0,2,0,0,0,0|1,0,0]=3 4095 B14R1.760 CC(=O)c1ccc(cc1OCCO)Br 7a_100000188348_100000211926 [0,2,0,0,0,0|1,0,0]=3 4096 B14R1.760 CC(=O)c1ccc(cc1OCCO)C 34a_100000234885_100000211926 [0,2,0,0,0,0|1,0,0]=3 4097 B14R1.760 CC(=O)c1ccc(cc1OCCO)C 7a_100000234885_100000211926 [0,2,0,0,0,0|1,0,0]=3 4098 B14R1.760 CC(=O)c1ccc(cc1OCCO)Cl 34a_100000061402_100000211926 [0,2,0,0,0,0|1,0,0]=3 4099 B14R1.760 CC(=O)c1ccc(cc1OCCO)Cl 7a_100000061402_100000211926 [0,2,0,0,0,0|1,0,0]=3 4100 B14R1.760 CC(=O)c1ccc(cc1OCCO)F 7a_100011215782_100000211926 [0,2,0,0,0,0|1,0,0]=3 4101 B14R1.760 CC(=O)c1ccc(cc1SCCF)C 62a_100011217306_100012353930 [0,2,0,0,0,0|1,1,0]=4 4102 B14R1.760 CC(=O)c1ccc(cc1SCCF)C 62a_100012353930_100011217306 [0,2,0,0,0,0|1,1,0]=4 4103 B14R1.760 CC(=O)c1ccc(cc1SCCF)F 62a_100000686192_100011217306 [0,2,0,0,0,0|1,1,0]=4 4104 B14R1.760 CC(=O)c1ccc(cc1SCCF)O 62a_100012340537_100011217306 [0,2,0,0,0,0|1,1,0]=4 4105 B14R1.760 CC(=O)c1ccc(cc1SCCO)C 62a_100000211926_100012353930 [0,2,0,0,0,0|1,1,0]=4 4106 B14R1.760 CC(=O)c1ccc(cc1SCCO)C 62a_100012353930_100000211926 [0,2,0,0,0,0|1,1,0]=4 4107 B14R1.760 CC(=O)c1ccc(cc1SCCO)F 62a_100000686192_100000211926 [0,2,0,0,0,0|1,1,0]=4 4108 B14R1.760 CC(=O)c1ccc(cc1SCCO)O 62a_100012340537_100000211926 [0,2,0,0,0,0|1,1,0]=4 4109 B14R1.760 CCCCc1cc(ccc1C(=O)C)C 271570a_100020621405_100012353930 [0,2,0,0,0,0|2,0,0]=4 4110 B14R1.760 CCCCc1cc(ccc1C(=O)C)F 271570a_100020621405_100000686192 [0,2,0,0,0,0|2,0,0]=4 4111 B14R1.760 CCCCc1cc(ccc1C(=O)C)O 271570a_100020621405_100012340537 [0,2,0,0,0,0|2,0,0]=4 4112 B14R1.760 CCCCc1cc(ccc1C(=O)N)Br 271570a_100020621405_100009815748 [0,2,0,0,0,0|1,0,0]=3 4113 B14R1.760 CCCCc1cc(ccc1C(=O)N)F 271570a_100020621405_100000206404 [0,2,0,0,0,0|1,0,0]=3 4114 B14R1.760 CCCCc1nc(ccc1C(=O)N)C 271570a_100020621405_100000041523 [0,2,0,0,0,0|2,0,0]=4 4115 B14R1.760 CCCNc1cc(ccc1C(=O)N)Br 7a_100012349972_100000210303 [0,2,0,0,0,0|1,0,0]=3 4116 B14R1.760 CCCNc1cc(ccc1C(=O)N)C 34a_100011219537_100000210303 [0,2,0,0,0,0|1,0,0]=3 4117 B14R1.760 CCCNc1cc(ccc1C(=O)N)C 7a_100011219537_100000210303 [0,2,0,0,0,0|1,0,0]=3 4118 B14R1.760 CCCNc1cc(ccc1C(=O)N)Cl 34a_100000738103_100000210303 [0,2,0,0,0,0|1,0,0]=3 4119 B14R1.760 CCCNc1cc(ccc1C(=O)N)Cl 7a_100000738103_100000210303 [0,2,0,0,0,0|1,0,0]=3 4120 B14R1.760 CCCNc1cc(ccc1C(=O)N)F 34a_100011298637_100000210303 [0,2,0,0,0,0|1,0,0]=3 4121 B14R1.760 CCCOc1cc(ccc1C(=O)C)Br 7a_100000188348_100000210303 [0,2,0,0,0,0|1,0,0]=3 4122 B14R1.760 CCCOc1cc(ccc1C(=O)C)C 1458a_100000217224_200000210301 [0,2,0,0,0,0|1,0,0]=3 4123 B14R1.760 CCCOc1cc(ccc1C(=O)C)C 34a_100000234885_100000210303 [0,2,0,0,0,0|1,0,0]=3 4124 B14R1.760 CCCOc1cc(ccc1C(=O)C)C 7a_100000234885_100000210303 [0,2,0,0,0,0|1,0,0]=3 4125 B14R1.760 CCCOc1cc(ccc1C(=O)C)Cl 34a_100000061402_100000210303 [0,2,0,0,0,0|1,0,0]=3 4126 B14R1.760 CCCOc1cc(ccc1C(=O)C)Cl 7a_100000061402_100000210303 [0,2,0,0,0,0|1,0,0]=3 4127 B14R1.760 CCCOc1cc(ccc1C(=O)C)F 7a_100011215782_100000210303 [0,2,0,0,0,0|1,0,0]=3 4128 B14R1.760 CCCOc1cc(ccc1C(=O)N)Br 34a_100011550861_100000210303 [0,2,0,0,0,0|0,0,0]=2 4129 B14R1.760 CCCOc1cc(ccc1C(=O)N)Br 7a_100011550861_100000210303 [0,2,0,0,0,0|0,0,0]=2 4130 B14R1.760 CCCOc1cc(ccc1C(=O)N)C 34a_100000192831_100000210303 [0,2,0,0,0,0|0,0,0]=2 4131 B14R1.760 CCCOc1cc(ccc1C(=O)N)C 7a_100000192831_100000210303 [0,2,0,0,0,0|0,0,0]=2 4132 B14R1.760 CCCOc1cc(ccc1C(=O)N)Cl 34a_100000192836_100000210303 [0,2,0,0,0,0|0,0,0]=2 4133 B14R1.760 CCCOc1cc(ccc1C(=O)N)Cl 7a_100000192836_100000210303 [0,2,0,0,0,0|0,0,0]=2 4134 B14R1.760 CCCOc1cc(ccc1C(=O)N)N 34a_100000223280_100000210303 [0,2,0,0,0,0|0,0,0]=2 4135 B14R1.760 CCCOc1cc(ccc1C(=O)N)N 7a_100000223280_100000210303 [0,2,0,0,0,0|0,0,0]=2 4136 B14R1.760 CCCOc1cc(ccc1C(=O)[13CH3])C 1458a_100000217224_200025704644 [0,2,0,0,0,0|1,0,0]=3 4137 B14R1.760 CCCOc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_100000210303 [0,2,0,0,0,0|2,0,0]=4 4138 B14R1.760 CCCOc1cc(ccc1[N+](=O)[O-])C 34a_100000195450_100000210303 [0,2,0,0,0,0|2,0,0]=4 4139 B14R1.760 CCCOc1cc(ccc1[N+](=O)[O-])C 7a_100000195450_100000210303 [0,2,0,0,0,0|2,0,0]=4 4140 B14R1.760 CCCOc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_100000210303 [0,2,0,0,0,0|2,0,0]=4 4141 B14R1.760 CCCOc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_100000210303 [0,2,0,0,0,0|2,0,0]=4 4142 B14R1.760 CCCOc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_100000210303 [0,2,0,0,0,0|2,0,0]=4 4143 B14R1.760 CCCOc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_100000210303 [0,2,0,0,0,0|2,0,0]=4 4144 B14R1.760 CCCOc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_100000210303 [0,2,0,0,0,0|2,0,0]=4 4145 B14R1.760 CCCSc1cc(ccc1C(=O)C)C 62a_100000210303_100012353930 [0,2,0,0,0,0|1,1,0]=4 4146 B14R1.760 CCCSc1cc(ccc1C(=O)C)C 62a_100012353930_100000210303 [0,2,0,0,0,0|1,1,0]=4 4147 B14R1.760 CCCSc1cc(ccc1C(=O)C)F 62a_100000686192_100000210303 [0,2,0,0,0,0|1,1,0]=4 4148 B14R1.760 CCCSc1cc(ccc1C(=O)C)O 62a_100012340537_100000210303 [0,2,0,0,0,0|1,1,0]=4 4149 B14R1.760 CCCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100000210303 [0,2,0,0,0,0|0,1,0]=3 4150 B14R1.760 CCCSc1cc(ccc1C(=O)N)F 62a_100000206404_100000210303 [0,2,0,0,0,0|0,1,0]=3 4151 B14R1.760 CCCSc1cc(ccc1C(=O)N)F 62a_100000210303_100000206404 [0,2,0,0,0,0|0,1,0]=3 4152 B14R1.760 CCCSc1nc(ccc1C(=O)N)C 62a_100000041523_100000210303 [0,2,0,0,0,0|1,1,0]=4 4153 B14R1.760 CCCSc1nc(ccc1C(=O)N)C 62a_100000210303_100000041523 [0,2,0,0,0,0|1,1,0]=4 4154 B14R1.760 CCOCc1cc(ccc1[N+](=O)[O-])Br 34a_100121572206_100010245524 [0,2,0,0,0,0|2,0,0]=4 4155 B14R1.760 CCOCc1cc(ccc1[N+](=O)[O-])Br 7a_100012361455_100000210202 [0,2,0,0,0,0|2,0,0]=4 4156 B14R1.760 CCOCc1cc(ccc1[N+](=O)[O-])C 34a_100121572206_200000039114 [0,2,0,0,0,0|2,0,0]=4 4157 B14R1.760 CCOCc1cc(ccc1[N+](=O)[O-])C 7a_100000038506_100000210202 [0,2,0,0,0,0|2,0,0]=4 4158 B14R1.760 CCOCc1cc(ccc1[N+](=O)[O-])Cl 34a_100121572206_100000765840 [0,2,0,0,0,0|2,0,0]=4 4159 B14R1.760 CCOCc1cc(ccc1[N+](=O)[O-])Cl 7a_100011216915_100000210202 [0,2,0,0,0,0|2,0,0]=4 4160 B14R1.760 CCOCc1cc(ccc1[N+](=O)[O-])F 34a_100000746263_100000210202 [0,2,0,0,0,0|2,0,0]=4 4161 B14R1.760 CCOCc1cc(ccc1[N+](=O)[O-])F 7a_100000746263_100000210202 [0,2,0,0,0,0|2,0,0]=4 4162 B14R1.760 COCSc1cc(ccc1C(=O)C)C 62a_100000766300_100012353930 [0,2,0,0,0,0|1,1,0]=4 4163 B14R1.760 COCSc1cc(ccc1C(=O)C)C 62a_100012353930_100000766300 [0,2,0,0,0,0|1,1,0]=4 4164 B14R1.760 COCSc1cc(ccc1C(=O)C)F 62a_100000686192_100000766300 [0,2,0,0,0,0|1,1,0]=4 4165 B14R1.760 COCSc1cc(ccc1C(=O)C)O 62a_100012340537_100000766300 [0,2,0,0,0,0|1,1,0]=4 4166 B14R1.760 COCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100000766300 [0,2,0,0,0,0|0,1,0]=3 4167 B14R1.760 COCSc1cc(ccc1C(=O)N)F 62a_100000206404_100000766300 [0,2,0,0,0,0|0,1,0]=3 4168 B14R1.760 COCSc1cc(ccc1C(=O)N)F 62a_100000766300_100000206404 [0,2,0,0,0,0|0,1,0]=3 4169 B14R1.760 COCSc1nc(ccc1C(=O)N)C 62a_100000041523_100000766300 [0,2,0,0,0,0|1,1,0]=4 4170 B14R1.760 COCSc1nc(ccc1C(=O)N)C 62a_100000766300_100000041523 [0,2,0,0,0,0|1,1,0]=4 4171 B14R1.760 CSCNc1cc(ccc1C(=O)N)C 34a_100011219537_100011218213 [0,2,0,0,0,0|1,0,0]=3 4172 B14R1.760 CSCNc1cc(ccc1C(=O)N)Cl 34a_100000738103_100011218213 [0,2,0,0,0,0|1,0,0]=3 4173 B14R1.760 CSCNc1cc(ccc1C(=O)N)F 34a_100011298637_100011218213 [0,2,0,0,0,0|1,0,0]=3 4174 B14R1.760 CSCOc1cc(ccc1C(=O)C)C 34a_100000234885_100011218213 [0,2,0,0,0,0|1,0,0]=3 4175 B14R1.760 CSCOc1cc(ccc1C(=O)C)Cl 34a_100000061402_100011218213 [0,2,0,0,0,0|1,0,0]=3 4176 B14R1.760 CSCOc1cc(ccc1C(=O)N)Br 34a_100011550861_100011218213 [0,2,0,0,0,0|0,0,0]=2 4177 B14R1.760 CSCOc1cc(ccc1C(=O)N)C 34a_100000192831_100011218213 [0,2,0,0,0,0|0,0,0]=2 4178 B14R1.760 CSCOc1cc(ccc1C(=O)N)Cl 34a_100000192836_100011218213 [0,2,0,0,0,0|0,0,0]=2 4179 B14R1.760 CSCOc1cc(ccc1C(=O)N)N 34a_100000223280_100011218213 [0,2,0,0,0,0|0,0,0]=2 4180 B14R1.760 CSCOc1cc(ccc1[N+](=O)[O-])C 34a_100000195450_100011218213 [0,2,0,0,0,0|2,0,0]=4 4181 B14R1.760 CSCOc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_100011218213 [0,2,0,0,0,0|2,0,0]=4 4182 B14R1.760 CSCOc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_100011218213 [0,2,0,0,0,0|2,0,0]=4 4183 B14R1.760 CSCSc1cc(ccc1C(=O)C)C 62a_100011218213_100012353930 [0,2,0,0,0,0|1,1,0]=4 4184 B14R1.760 CSCSc1cc(ccc1C(=O)C)C 62a_100012353930_100011218213 [0,2,0,0,0,0|1,1,0]=4 4185 B14R1.760 CSCSc1cc(ccc1C(=O)C)F 62a_100000686192_100011218213 [0,2,0,0,0,0|1,1,0]=4 4186 B14R1.760 CSCSc1cc(ccc1C(=O)C)O 62a_100012340537_100011218213 [0,2,0,0,0,0|1,1,0]=4 4187 B14R1.760 CSCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100011218213 [0,2,0,0,0,0|0,1,0]=3 4188 B14R1.760 CSCSc1cc(ccc1C(=O)N)F 62a_100000206404_100011218213 [0,2,0,0,0,0|0,1,0]=3 4189 B14R1.760 CSCSc1cc(ccc1C(=O)N)F 62a_100011218213_100000206404 [0,2,0,0,0,0|0,1,0]=3 4190 B14R1.760 CSCSc1nc(ccc1C(=O)N)C 62a_100000041523_100011218213 [0,2,0,0,0,0|1,1,0]=4 4191 B14R1.760 CSCSc1nc(ccc1C(=O)N)C 62a_100011218213_100000041523 [0,2,0,0,0,0|1,1,0]=4 4192 B14R1.760 Cc1ccc(c(c1)NCC#N)C(=O)N 7a_100011219537_100011215382 [0,2,0,0,0,0|1,0,1]=4 4193 B14R1.760 Cc1ccc(c(c1)NCC=O)C(=O)N 34a_100011219537_200009817547 [0,2,0,0,0,0|1,0,1]=4 4194 B14R1.760 Cc1ccc(c(c1)NCC=O)C(=O)N 7a_100011219537_200015260668 [0,2,0,0,0,0|1,0,1]=4 4195 B14R1.760 Cc1ccc(c(c1)NCCF)C(=O)N 34a_100011219537_100011217306 [0,2,0,0,0,0|1,0,0]=3 4196 B14R1.760 Cc1ccc(c(c1)NCCF)C(=O)N 7a_100011219537_100011217306 [0,2,0,0,0,0|1,0,0]=3 4197 B14R1.760 Cc1ccc(c(c1)NCCO)C(=O)N 34a_100011219537_100000211926 [0,2,0,0,0,0|1,0,0]=3 4198 B14R1.760 Cc1ccc(c(c1)NCCO)C(=O)N 7a_100011219537_100000211926 [0,2,0,0,0,0|1,0,0]=3 4199 B14R1.760 Cc1ccc(c(c1)OCC#N)C(=O)N 7a_100000192831_100011215382 [0,2,0,0,0,0|0,0,1]=3 4200 B14R1.760 Cc1ccc(c(c1)OCC=O)C(=O)N 34a_100000192831_200009817547 [0,2,0,0,0,0|0,0,1]=3 4201 B14R1.760 Cc1ccc(c(c1)OCC=O)C(=O)N 7a_100000192831_200015260668 [0,2,0,0,0,0|0,0,1]=3 4202 B14R1.760 Cc1ccc(c(c1)OCCF)C(=O)N 34a_100000192831_100011217306 [0,2,0,0,0,0|0,0,0]=2 4203 B14R1.760 Cc1ccc(c(c1)OCCF)C(=O)N 7a_100000192831_100011217306 [0,2,0,0,0,0|0,0,0]=2 4204 B14R1.760 Cc1ccc(c(c1)OCCF)[N+](=O)[O-] 34a_100000195450_100011217306 [0,2,0,0,0,0|2,0,0]=4 4205 B14R1.760 Cc1ccc(c(c1)OCCF)[N+](=O)[O-] 7a_100000195450_100011217306 [0,2,0,0,0,0|2,0,0]=4 4206 B14R1.760 Cc1ccc(c(c1)OCCO)C(=O)N 34a_100000192831_100000211926 [0,2,0,0,0,0|0,0,0]=2 4207 B14R1.760 Cc1ccc(c(c1)OCCO)C(=O)N 7a_100000192831_100000211926 [0,2,0,0,0,0|0,0,0]=2 4208 B14R1.760 Cc1ccc(c(c1)OCCO)[N+](=O)[O-] 34a_100000195450_100000211926 [0,2,0,0,0,0|2,0,0]=4 4209 B14R1.760 Cc1ccc(c(c1)OCCO)[N+](=O)[O-] 7a_100000195450_100000211926 [0,2,0,0,0,0|2,0,0]=4 4210 B14R1.760 Cc1ccc(c(n1)NCCO)C(=O)N 27a_100000210304_100000041523 [0,2,0,0,0,0|2,0,0]=4 4211 B14R1.760 Cc1ccc(c(n1)SCCF)C(=O)N 62a_100000041523_100011217306 [0,2,0,0,0,0|1,1,0]=4 4212 B14R1.760 Cc1ccc(c(n1)SCCF)C(=O)N 62a_100011217306_100000041523 [0,2,0,0,0,0|1,1,0]=4 4213 B14R1.760 Cc1ccc(c(n1)SCCO)C(=O)N 62a_100000041523_100000211926 [0,2,0,0,0,0|1,1,0]=4 4214 B14R1.760 Cc1ccc(c(n1)SCCO)C(=O)N 62a_100000211926_100000041523 [0,2,0,0,0,0|1,1,0]=4 4215 B14R1.760 N#CCNc1cc(ccc1C(=O)N)Br 7a_100012349972_100011215382 [0,2,0,0,0,0|1,0,1]=4 4216 B14R1.760 N#CCNc1cc(ccc1C(=O)N)Cl 7a_100000738103_100011215382 [0,2,0,0,0,0|1,0,1]=4 4217 B14R1.760 N#CCOc1cc(ccc1C(=O)N)Br 7a_100011550861_100011215382 [0,2,0,0,0,0|0,0,1]=3 4218 B14R1.760 N#CCOc1cc(ccc1C(=O)N)Cl 7a_100000192836_100011215382 [0,2,0,0,0,0|0,0,1]=3 4219 B14R1.760 N#CCOc1cc(ccc1C(=O)N)N 7a_100000223280_100011215382 [0,2,0,0,0,0|0,0,1]=3 4220 B14R1.760 N#CCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100011215382 [0,2,0,0,0,0|0,1,1]=4 4221 B14R1.760 N#CCSc1cc(ccc1C(=O)N)F 62a_100000206404_100011215382 [0,2,0,0,0,0|0,1,1]=4 4222 B14R1.760 N#CCSc1cc(ccc1C(=O)N)F 62a_100011215382_100000206404 [0,2,0,0,0,0|0,1,1]=4 4223 B14R1.760 NC(=O)c1ccc(cc1NCC=O)Br 7a_100012349972_200015260668 [0,2,0,0,0,0|1,0,1]=4 4224 B14R1.760 NC(=O)c1ccc(cc1NCC=O)Cl 34a_100000738103_200009817547 [0,2,0,0,0,0|1,0,1]=4 4225 B14R1.760 NC(=O)c1ccc(cc1NCC=O)Cl 7a_100000738103_200015260668 [0,2,0,0,0,0|1,0,1]=4 4226 B14R1.760 NC(=O)c1ccc(cc1NCC=O)F 34a_100011298637_200009817547 [0,2,0,0,0,0|1,0,1]=4 4227 B14R1.760 NC(=O)c1ccc(cc1NCCF)Br 7a_100012349972_100011217306 [0,2,0,0,0,0|1,0,0]=3 4228 B14R1.760 NC(=O)c1ccc(cc1NCCF)Cl 34a_100000738103_100011217306 [0,2,0,0,0,0|1,0,0]=3 4229 B14R1.760 NC(=O)c1ccc(cc1NCCF)Cl 7a_100000738103_100011217306 [0,2,0,0,0,0|1,0,0]=3 4230 B14R1.760 NC(=O)c1ccc(cc1NCCF)F 34a_100011298637_100011217306 [0,2,0,0,0,0|1,0,0]=3 4231 B14R1.760 NC(=O)c1ccc(cc1NCCO)Br 27a_100000210304_100009815748 [0,2,0,0,0,0|1,0,0]=3 4232 B14R1.760 NC(=O)c1ccc(cc1NCCO)Br 7a_100012349972_100000211926 [0,2,0,0,0,0|1,0,0]=3 4233 B14R1.760 NC(=O)c1ccc(cc1NCCO)Cl 34a_100000738103_100000211926 [0,2,0,0,0,0|1,0,0]=3 4234 B14R1.760 NC(=O)c1ccc(cc1NCCO)Cl 7a_100000738103_100000211926 [0,2,0,0,0,0|1,0,0]=3 4235 B14R1.760 NC(=O)c1ccc(cc1NCCO)F 27a_100000210304_100000206404 [0,2,0,0,0,0|1,0,0]=3 4236 B14R1.760 NC(=O)c1ccc(cc1NCCO)F 34a_100011298637_100000211926 [0,2,0,0,0,0|1,0,0]=3 4237 B14R1.760 NC(=O)c1ccc(cc1OCC=O)Br 34a_100011550861_200009817547 [0,2,0,0,0,0|0,0,1]=3 4238 B14R1.760 NC(=O)c1ccc(cc1OCC=O)Br 7a_100011550861_200015260668 [0,2,0,0,0,0|0,0,1]=3 4239 B14R1.760 NC(=O)c1ccc(cc1OCC=O)Cl 34a_100000192836_200009817547 [0,2,0,0,0,0|0,0,1]=3 4240 B14R1.760 NC(=O)c1ccc(cc1OCC=O)Cl 7a_100000192836_200015260668 [0,2,0,0,0,0|0,0,1]=3 4241 B14R1.760 NC(=O)c1ccc(cc1OCC=O)N 34a_100000223280_200009817547 [0,2,0,0,0,0|0,0,1]=3 4242 B14R1.760 NC(=O)c1ccc(cc1OCC=O)N 7a_100000223280_200015260668 [0,2,0,0,0,0|0,0,1]=3 4243 B14R1.760 NC(=O)c1ccc(cc1OCCF)Br 34a_100011550861_100011217306 [0,2,0,0,0,0|0,0,0]=2 4244 B14R1.760 NC(=O)c1ccc(cc1OCCF)Br 7a_100011550861_100011217306 [0,2,0,0,0,0|0,0,0]=2 4245 B14R1.760 NC(=O)c1ccc(cc1OCCF)Cl 34a_100000192836_100011217306 [0,2,0,0,0,0|0,0,0]=2 4246 B14R1.760 NC(=O)c1ccc(cc1OCCF)Cl 7a_100000192836_100011217306 [0,2,0,0,0,0|0,0,0]=2 4247 B14R1.760 NC(=O)c1ccc(cc1OCCF)N 34a_100000223280_100011217306 [0,2,0,0,0,0|0,0,0]=2 4248 B14R1.760 NC(=O)c1ccc(cc1OCCF)N 7a_100000223280_100011217306 [0,2,0,0,0,0|0,0,0]=2 4249 B14R1.760 NC(=O)c1ccc(cc1OCCO)Br 34a_100011550861_100000211926 [0,2,0,0,0,0|0,0,0]=2 4250 B14R1.760 NC(=O)c1ccc(cc1OCCO)Br 7a_100011550861_100000211926 [0,2,0,0,0,0|0,0,0]=2 4251 B14R1.760 NC(=O)c1ccc(cc1OCCO)Cl 34a_100000192836_100000211926 [0,2,0,0,0,0|0,0,0]=2 4252 B14R1.760 NC(=O)c1ccc(cc1OCCO)Cl 7a_100000192836_100000211926 [0,2,0,0,0,0|0,0,0]=2 4253 B14R1.760 NC(=O)c1ccc(cc1OCCO)N 34a_100000223280_100000211926 [0,2,0,0,0,0|0,0,0]=2 4254 B14R1.760 NC(=O)c1ccc(cc1OCCO)N 7a_100000223280_100000211926 [0,2,0,0,0,0|0,0,0]=2 4255 B14R1.760 NC(=O)c1ccc(cc1SCC=O)Br 62a_100009815748_200015260668 [0,2,0,0,0,0|0,1,1]=4 4256 B14R1.760 NC(=O)c1ccc(cc1SCC=O)F 62a_100000206404_200015260668 [0,2,0,0,0,0|0,1,1]=4 4257 B14R1.760 NC(=O)c1ccc(cc1SCC=O)F 62a_200015260668_100000206404 [0,2,0,0,0,0|0,1,1]=4 4258 B14R1.760 NC(=O)c1ccc(cc1SCCF)Br 62a_100009815748_100011217306 [0,2,0,0,0,0|0,1,0]=3 4259 B14R1.760 NC(=O)c1ccc(cc1SCCF)F 62a_100000206404_100011217306 [0,2,0,0,0,0|0,1,0]=3 4260 B14R1.760 NC(=O)c1ccc(cc1SCCF)F 62a_100011217306_100000206404 [0,2,0,0,0,0|0,1,0]=3 4261 B14R1.760 NC(=O)c1ccc(cc1SCCO)Br 62a_100009815748_100000211926 [0,2,0,0,0,0|0,1,0]=3 4262 B14R1.760 NC(=O)c1ccc(cc1SCCO)F 62a_100000206404_100000211926 [0,2,0,0,0,0|0,1,0]=3 4263 B14R1.760 NC(=O)c1ccc(cc1SCCO)F 62a_100000211926_100000206404 [0,2,0,0,0,0|0,1,0]=3 4264 B14R1.760 O=[N+]([O-])c1ccc(cc1OCCF)Br 7a_100011934350_100011217306 [0,2,0,0,0,0|2,0,0]=4 4265 B14R1.760 O=[N+]([O-])c1ccc(cc1OCCF)Cl 34a_100000746067_100011217306 [0,2,0,0,0,0|2,0,0]=4 4266 B14R1.760 O=[N+]([O-])c1ccc(cc1OCCF)Cl 7a_100000746067_100011217306 [0,2,0,0,0,0|2,0,0]=4 4267 B14R1.760 O=[N+]([O-])c1ccc(cc1OCCF)F 34a_100000210785_100011217306 [0,2,0,0,0,0|2,0,0]=4 4268 B14R1.760 O=[N+]([O-])c1ccc(cc1OCCF)F 7a_100000210785_100011217306 [0,2,0,0,0,0|2,0,0]=4 4269 B14R1.760 O=[N+]([O-])c1ccc(cc1OCCF)I 7a_100000072657_100011217306 [0,2,0,0,0,0|2,0,0]=4 4270 B14R1.760 O=[N+]([O-])c1ccc(cc1OCCO)Br 7a_100011934350_100000211926 [0,2,0,0,0,0|2,0,0]=4 4271 B14R1.760 O=[N+]([O-])c1ccc(cc1OCCO)Cl 34a_100000746067_100000211926 [0,2,0,0,0,0|2,0,0]=4 4272 B14R1.760 O=[N+]([O-])c1ccc(cc1OCCO)Cl 7a_100000746067_100000211926 [0,2,0,0,0,0|2,0,0]=4 4273 B14R1.760 O=[N+]([O-])c1ccc(cc1OCCO)F 34a_100000210785_100000211926 [0,2,0,0,0,0|2,0,0]=4 4274 B14R1.760 O=[N+]([O-])c1ccc(cc1OCCO)F 7a_100000210785_100000211926 [0,2,0,0,0,0|2,0,0]=4 4275 B14R1.760 O=[N+]([O-])c1ccc(cc1OCCO)I 7a_100000072657_100000211926 [0,2,0,0,0,0|2,0,0]=4 4276 B14R1.5121 C=C(C)c1ccc(cc1OCC)C=O 271570a_100000694244_200010381951 [0,2,0,0,0,0|2,0,0]=4 4277 B14R1.5121 C=Cc1ccc(c(c1)OCC)C(=O)N 271570a_100011290941_200010071310 [0,2,0,0,0,0|0,0,0]=2 4278 B14R1.5121 CC=Cc1cc(ccc1C(=O)N)OC 271570a_100016259895_200009815664 [0,2,0,0,0,0|1,0,1]=4 4279 B14R1.5121 CCOc1cc(ccc1C(=O)C)OC 34a_100000185565_100000210202 [0,2,0,0,0,0|1,0,0]=3 4280 B14R1.5121 CCOc1cc(ccc1C(=O)C)OC 7a_100000185565_100000210202 [0,2,0,0,0,0|1,0,0]=3 4281 B14R1.5121 CCOc1cc(ccc1C(=O)N)OC 34a_100000185031_100000210202 [0,2,0,0,0,0|0,0,0]=2 4282 B14R1.5121 CCOc1cc(ccc1C(=O)N)OC 7a_100000185031_100000210202 [0,2,0,0,0,0|0,0,0]=2 4283 B14R1.5121 CCOc1cc(ccc1C(=O)N)SC 62a_200010071310_200000210301 [0,2,0,0,0,0|0,0,0]=2 4284 B14R1.5121 CCOc1cc(ccc1C(=O)N)S[13CH3] 62a_200010071310_200025704644 [0,2,0,0,0,0|0,0,0]=2 4285 B14R1.5121 CCOc1cc(ccc1[N+](=O)[O-])C#N 7a_100011997734_100000210202 [0,2,0,0,0,0|2,0,0]=4 4286 B14R1.5121 CCOc1cc(ccc1[N+](=O)[O-])CO 7a_100000723458_100000210202 [0,2,0,0,0,0|2,0,0]=4 4287 B14R1.5121 CCOc1cc(ccc1[N+](=O)[O-])OC 34a_100011219805_100000210202 [0,2,0,0,0,0|2,0,0]=4 4288 B14R1.5121 CCOc1cc(ccc1[N+](=O)[O-])OC 7a_100011219805_100000210202 [0,2,0,0,0,0|2,0,0]=4 4289 B14R1.5121 CCSc1cc(ccc1C(=O)C)OC 62a_100000697255_100000210202 [0,2,0,0,0,0|1,1,0]=4 4290 B14R1.5121 CCSc1cc(ccc1C(=O)N)OC 62a_200009815664_100000210202 [0,2,0,0,0,0|0,1,0]=3 4291 B14R1.5121 COc1ccc(c(c1)OCF)C(=O)C 34a_100000185565_100015361967 [0,2,0,0,0,0|2,0,0]=4 4292 B14R1.5121 COc1ccc(c(c1)OCF)C(=O)C 7a_100000185565_100015361967 [0,2,0,0,0,0|2,0,0]=4 4293 B14R1.5121 COc1ccc(c(c1)OCF)C(=O)N 34a_100000185031_100015361967 [0,2,0,0,0,0|1,0,0]=3 4294 B14R1.5121 COc1ccc(c(c1)OCF)C(=O)N 7a_100000185031_100015361967 [0,2,0,0,0,0|1,0,0]=3 4295 B14R1.5121 COc1ccc(c(c1)SCF)C(=O)N 62a_200009815664_100015361967 [0,2,0,0,0,0|1,1,0]=4 4296 B14R1.5122 CC=Cc1cc(ccc1C(=O)NC)F 271570a_100016259895_200000206206 [0,2,0,0,0,0|1,0,1]=4 4297 B14R1.5122 CC=Cc1cc(ccc1C(=O)NN)C 271570a_100016259895_200012340525 [0,2,0,0,0,0|1,0,1]=4 4298 B14R1.5122 CC=Cc1cc(ccc1C(=O)NN)F 271570a_100016259895_100000203923 [0,2,0,0,0,0|1,0,1]=4 4299 B14R1.5122 CCNc1cc(ccc1C(=O)CC)C 27a_100015525214_200012349623 [0,2,0,0,0,0|2,0,0]=4 4300 B14R1.5122 CCNc1cc(ccc1C(=O)NC)Cl 34a_100000742614_100000210202 [0,2,0,0,0,0|1,0,0]=3 4301 B14R1.5122 CCNc1cc(ccc1C(=O)NC)F 27a_100015525214_200000206206 [0,2,0,0,0,0|1,0,0]=3 4302 B14R1.5122 CCNc1cc(ccc1C(=O)NN)F 27a_100015525214_100000203923 [0,2,0,0,0,0|1,0,0]=3 4303 B14R1.5122 CCOc1cc(ccc1C(=O)CBr)F 7a_100009817053_100000210202 [0,2,0,0,0,0|1,0,0]=3 4304 B14R1.5122 CCOc1cc(ccc1C(=O)NC)N 34a_100000223174_100000210202 [0,2,0,0,0,0|0,0,0]=2 4305 B14R1.5122 CCOc1cc(ccc1C(=O)NC)N 7a_100000223174_100000210202 [0,2,0,0,0,0|0,0,0]=2 4306 B14R1.5122 CCOc1cc(ccc1C(=O)NC)O 271570a_203496583355_200010090708 [0,2,0,0,0,0|0,0,0]=2 4307 B14R1.5122 CCOc1cc(ccc1C(=O)NN)C 34a_100000193368_100000210202 [0,2,0,0,0,0|0,0,0]=2 4308 B14R1.5122 CCOc1cc(ccc1C(=O)NN)Cl 34a_100000193371_100000210202 [0,2,0,0,0,0|0,0,0]=2 4309 B14R1.5122 CCOc1cc(ccc1C(=O)NN)N 34a_200000020778_100000210202 [0,2,0,0,0,0|0,0,0]=2 4310 B14R1.5122 CCOc1cc(ccc1C(=O)NO)C 34a_200000199133_100000210202 [0,2,0,0,0,0|0,0,0]=2 4311 B14R1.5122 CCOc1cc(ccc1C(=O)NO)Cl 34a_100000199135_100000210202 [0,2,0,0,0,0|0,0,0]=2 4312 B14R1.5122 CCOc1cc(ccc1C(=O)OC)Br 34a_100000699699_100000210202 [0,2,0,0,0,0|1,0,0]=3 4313 B14R1.5122 CCOc1cc(ccc1C(=O)OC)Br 7a_100000699699_100000210202 [0,2,0,0,0,0|1,0,0]=3 4314 B14R1.5122 CCOc1cc(ccc1C(=O)OC)C 34a_100000148187_100000210202 [0,2,0,0,0,0|1,0,0]=3 4315 B14R1.5122 CCOc1cc(ccc1C(=O)OC)C 7a_100000148187_100000210202 [0,2,0,0,0,0|1,0,0]=3 4316 B14R1.5122 CCOc1cc(ccc1C(=O)OC)Cl 34a_100000151441_100000210202 [0,2,0,0,0,0|1,0,0]=3 4317 B14R1.5122 CCOc1cc(ccc1C(=O)OC)Cl 7a_100000151441_100000210202 [0,2,0,0,0,0|1,0,0]=3 4318 B14R1.5122 CCOc1cc(ccc1C(=O)OC)F 34a_100011216117_100000210202 [0,2,0,0,0,0|1,0,0]=3 4319 B14R1.5122 CCOc1cc(ccc1C(=O)OC)F 7a_100011216117_100000210202 [0,2,0,0,0,0|1,0,0]=3 4320 B14R1.5122 CCOc1cc(ccc1C(=O)OC)I 7a_100000062286_100000210202 [0,2,0,0,0,0|1,0,0]=3 4321 B14R1.5122 CCOc1cc(ccc1C(=O)OC)N 34a_100000718744_100000210202 [0,2,0,0,0,0|1,0,0]=3 4322 B14R1.5122 CCOc1cc(ccc1C(=O)OC)N 7a_100000718744_100000210202 [0,2,0,0,0,0|1,0,0]=3 4323 B14R1.5122 CCOc1cc(ccc1[C@@H](N)CO)F 34a_100138412282_100000210202 [0,2,0,0,0,0|0,0,2]=4 4324 B14R1.5122 CCOc1cc(cnc1C(=O)OC)Br 34a_100010071521_100000210202 [0,2,0,0,0,0|2,0,0]=4 4325 B14R1.5122 CCOc1cc(cnc1C(=O)OC)Br 7a_100010071521_100000210202 [0,2,0,0,0,0|2,0,0]=4 4326 B14R1.5122 CCSc1cc(ccc1C(=O)CC)C 62a_100000210202_200012349623 [0,2,0,0,0,0|1,1,0]=4 4327 B14R1.5122 CCSc1cc(ccc1C(=O)CC)C 62a_200012349623_100000210202 [0,2,0,0,0,0|1,1,0]=4 4328 B14R1.5122 CCSc1cc(ccc1C(=O)NC)F 62a_100000210202_200000206206 [0,2,0,0,0,0|0,1,0]=3 4329 B14R1.5122 CCSc1cc(ccc1C(=O)NC)F 62a_200000206206_100000210202 [0,2,0,0,0,0|0,1,0]=3 4330 B14R1.5122 CCSc1cc(ccc1C(=O)NN)C 62a_100000210202_200012340525 [0,2,0,0,0,0|0,1,0]=3 4331 B14R1.5122 CCSc1cc(ccc1C(=O)NN)C 62a_200012340525_100000210202 [0,2,0,0,0,0|0,1,0]=3 4332 B14R1.5122 CCSc1cc(ccc1C(=O)NN)F 62a_100000203923_100000210202 [0,2,0,0,0,0|0,1,0]=3 4333 B14R1.5122 CCSc1cc(ccc1C(=O)NN)F 62a_100000210202_100000203923 [0,2,0,0,0,0|0,1,0]=3 4334 B14R1.5122 CCSc1cc(ccc1C(=O)OC)Br 62a_100000701758_100000210202 [0,2,0,0,0,0|1,1,0]=4 4335 B14R1.5122 CCSc1cc(ccc1C(=O)OC)C 62a_100000210202_100012340597 [0,2,0,0,0,0|1,1,0]=4 4336 B14R1.5122 CCSc1cc(ccc1C(=O)OC)C 62a_100012340597_100000210202 [0,2,0,0,0,0|1,1,0]=4 4337 B14R1.5122 CCSc1cc(ccc1C(=O)OC)Cl 62a_100000047510_100000210202 [0,2,0,0,0,0|1,1,0]=4 4338 B14R1.5122 CCSc1cc(ccc1C(=O)OC)Cl 62a_100000210202_100000047510 [0,2,0,0,0,0|1,1,0]=4 4339 B14R1.5122 CCSc1cc(ccc1C(=O)OC)F 62a_100000204356_100000210202 [0,2,0,0,0,0|1,1,0]=4 4340 B14R1.5122 CCSc1cc(ccc1C(=O)OC)F 62a_100000210202_100000204356 [0,2,0,0,0,0|1,1,0]=4 4341 B14R1.5122 CCSc1cc(ccc1C(=O)OC)N 62a_100000210202_100010150747 [0,2,0,0,0,0|1,1,0]=4 4342 B14R1.5122 CCSc1cc(ccc1C(=O)OC)N 62a_100009998378_100000210202 [0,2,0,0,0,0|1,1,0]=4 4343 B14R1.5122 CCSc1cc(ccc1C(=O)OC)O 62a_100000210202_100010150825 [0,2,0,0,0,0|1,1,0]=4 4344 B14R1.5122 CCSc1cc(ccc1C(=O)OC)O 62a_100010150825_100000210202 [0,2,0,0,0,0|1,1,0]=4 4345 B14R1.5122 CNC(=O)c1ccc(cc1NCF)Cl 34a_100000742614_100015361967 [0,2,0,0,0,0|2,0,0]=4 4346 B14R1.5122 CNC(=O)c1ccc(cc1OCF)N 34a_100000223174_100015361967 [0,2,0,0,0,0|1,0,0]=3 4347 B14R1.5122 CNC(=O)c1ccc(cc1OCF)N 7a_100000223174_100015361967 [0,2,0,0,0,0|1,0,0]=3 4348 B14R1.5122 CNC(=O)c1ccc(cc1SCF)F 62a_100015361967_200000206206 [0,2,0,0,0,0|1,1,0]=4 4349 B14R1.5122 CNC(=O)c1ccc(cc1SCF)F 62a_200000206206_100015361967 [0,2,0,0,0,0|1,1,0]=4 4350 B14R1.5122 COC(=O)c1ccc(cc1OCF)Br 34a_100000699699_100015361967 [0,2,0,0,0,0|2,0,0]=4 4351 B14R1.5122 COC(=O)c1ccc(cc1OCF)Br 7a_100000699699_100015361967 [0,2,0,0,0,0|2,0,0]=4 4352 B14R1.5122 COC(=O)c1ccc(cc1OCF)C 34a_100000148187_100015361967 [0,2,0,0,0,0|2,0,0]=4 4353 B14R1.5122 COC(=O)c1ccc(cc1OCF)C 7a_100000148187_100015361967 [0,2,0,0,0,0|2,0,0]=4 4354 B14R1.5122 COC(=O)c1ccc(cc1OCF)Cl 34a_100000151441_100015361967 [0,2,0,0,0,0|2,0,0]=4 4355 B14R1.5122 COC(=O)c1ccc(cc1OCF)Cl 7a_100000151441_100015361967 [0,2,0,0,0,0|2,0,0]=4 4356 B14R1.5122 COC(=O)c1ccc(cc1OCF)F 34a_100011216117_100015361967 [0,2,0,0,0,0|2,0,0]=4 4357 B14R1.5122 COC(=O)c1ccc(cc1OCF)F 7a_100011216117_100015361967 [0,2,0,0,0,0|2,0,0]=4 4358 B14R1.5122 COC(=O)c1ccc(cc1OCF)I 7a_100000062286_100015361967 [0,2,0,0,0,0|2,0,0]=4 4359 B14R1.5122 COC(=O)c1ccc(cc1OCF)N 34a_100000718744_100015361967 [0,2,0,0,0,0|2,0,0]=4 4360 B14R1.5122 COC(=O)c1ccc(cc1OCF)N 7a_100000718744_100015361967 [0,2,0,0,0,0|2,0,0]=4 4361 B14R1.5122 Cc1ccc(c(c1)OCF)C(=O)NN 34a_100000193368_100015361967 [0,2,0,0,0,0|1,0,0]=3 4362 B14R1.5122 Cc1ccc(c(c1)OCF)C(=O)NO 34a_200000199133_100015361967 [0,2,0,0,0,0|1,0,0]=3 4363 B14R1.5122 Cc1ccc(c(c1)SCF)C(=O)NN 62a_100015361967_200012340525 [0,2,0,0,0,0|1,1,0]=4 4364 B14R1.5122 Cc1ccc(c(c1)SCF)C(=O)NN 62a_200012340525_100015361967 [0,2,0,0,0,0|1,1,0]=4 4365 B14R1.5122 NNC(=O)c1ccc(cc1OCF)Cl 34a_100000193371_100015361967 [0,2,0,0,0,0|1,0,0]=3 4366 B14R1.5122 NNC(=O)c1ccc(cc1OCF)N 34a_200000020778_100015361967 [0,2,0,0,0,0|1,0,0]=3 4367 B14R1.5122 NNC(=O)c1ccc(cc1SCF)F 62a_100000203923_100015361967 [0,2,0,0,0,0|1,1,0]=4 4368 B14R1.5122 NNC(=O)c1ccc(cc1SCF)F 62a_100015361967_100000203923 [0,2,0,0,0,0|1,1,0]=4 4369 B14R1.5122 O=C(CBr)c1ccc(cc1OCF)F 7a_100009817053_100015361967 [0,2,0,0,0,0|2,0,0]=4 4370 B14R1.5122 O=C(NO)c1ccc(cc1OCF)Cl 34a_100000199135_100015361967 [0,2,0,0,0,0|1,0,0]=3 4371 B14R1.5320 CC(=O)c1c(cc(cc1OCF)Br)F 34a_100010734142_100015361967 [0,2,0,0,0,0|2,0,0]=4 4372 B14R1.5320 CC(=O)c1c(cc(cc1OCF)Br)F 7a_100010734142_100015361967 [0,2,0,0,0,0|2,0,0]=4 4373 B14R1.5320 CC(=O)c1c(cc(cc1OCF)Cl)F 34a_100009859732_100015361967 [0,2,0,0,0,0|2,0,0]=4 4374 B14R1.5320 CC(=O)c1c(cc(cc1OCF)Cl)F 7a_100009859732_100015361967 [0,2,0,0,0,0|2,0,0]=4 4375 B14R1.5320 CCCc1cc(cc(c1C(=O)C)O)O 1458a_200009908439_200000210301 [0,2,0,0,0,0|2,0,0]=4 4376 B14R1.5320 CCCc1cc(cc(c1C(=O)[13CH3])O)O 1458a_200009908439_200025704644 [0,2,0,0,0,0|2,0,0]=4 4377 B14R1.5320 CCNc1nc(cc(c1C(=O)N)C)C 27a_100015525214_100000017153 [0,2,0,0,0,0|2,0,0]=4 4378 B14R1.5320 CCOc1cc(cc(c1C(=O)C)F)Br 34a_100010734142_100000210202 [0,2,0,0,0,0|1,0,0]=3 4379 B14R1.5320 CCOc1cc(cc(c1C(=O)C)F)Br 7a_100010734142_100000210202 [0,2,0,0,0,0|1,0,0]=3 4380 B14R1.5320 CCOc1cc(cc(c1C(=O)C)F)Cl 34a_100009859732_100000210202 [0,2,0,0,0,0|1,0,0]=3 4381 B14R1.5320 CCOc1cc(cc(c1C(=O)C)F)Cl 7a_100009859732_100000210202 [0,2,0,0,0,0|1,0,0]=3 4382 B14R1.5320 CCOc1cc(cc(c1[N+](=O)[O-])Br)F 34a_100015254745_100000210202 [0,2,0,0,0,0|2,0,0]=4 4383 B14R1.5320 CCOc1cc(cc(c1[N+](=O)[O-])Br)F 7a_100015254745_100000210202 [0,2,0,0,0,0|2,0,0]=4 4384 B14R1.5320 CCOc1cc(cc(c1[N+](=O)[O-])F)Br 7a_100015472981_100000210202 [0,2,0,0,0,0|2,0,0]=4 4385 B14R1.5320 CCOc1cc(cc(c1[N+](=O)[O-])F)F 34a_100011934965_100000210202 [0,2,0,0,0,0|2,0,0]=4 4386 B14R1.5320 CCOc1cc(cc(c1[N+](=O)[O-])F)F 7a_100011934965_100000210202 [0,2,0,0,0,0|2,0,0]=4 4387 B14R1.5320 CCSc1nc(cc(c1C(=O)N)C)C 62a_100000017153_100000210202 [0,2,0,0,0,0|1,1,0]=4 4388 B14R1.5320 CCSc1nc(cc(c1C(=O)N)C)C 62a_100000210202_100000017153 [0,2,0,0,0,0|1,1,0]=4 4389 B14R1.14833 CCOc1c(ccc(c1Br)F)[N+](=O)[O-] 34a_100010128262_100000210202 [0,2,0,0,0,0|2,0,0]=4 4390 B14R1.14833 CCOc1c(ccc(c1Cl)Cl)[N+](=O)[O-] 34a_100010195890_100000210202 [0,2,0,0,0,0|2,0,0]=4 4391 B14R1.14833 CCOc1c(ccc(c1Cl)Cl)[N+](=O)[O-] 7a_100010195890_100000210202 [0,2,0,0,0,0|2,0,0]=4 4392 B14R1.14833 CCOc1c(ccc(c1F)Cl)[N+](=O)[O-] 34a_200015649888_100000210202 [0,2,0,0,0,0|2,0,0]=4 4393 B14R1.14833 CCOc1c(ccc(c1F)Cl)[N+](=O)[O-] 7a_200015649888_100000210202 [0,2,0,0,0,0|2,0,0]=4 4394 B14R1.14833 CCOc1c(ccc(c1F)F)[N+](=O)[O-] 34a_100011215612_100000210202 [0,2,0,0,0,0|2,0,0]=4 4395 B14R1.14833 CCOc1c(ccc(c1F)F)[N+](=O)[O-] 7a_100011215612_100000210202 [0,2,0,0,0,0|2,0,0]=4 4396 B14R1.14833 CCSc1c(ccc(c1F)F)C(=O)C 62a_100000210202_200013857550 [0,2,0,0,0,0|1,1,0]=4 4397 B14R1.14833 CCSc1c(ccc(c1F)F)C(=O)C 62a_200013857550_100000210202 [0,2,0,0,0,0|1,1,0]=4 4398 B14R1.745 CCC(=O)c1ccccc1S(=O)(=O)N 1458a_100015187736_100000210202 [0,2,0,0,0,0|2,0,0]=4 4399 B14R1.788 CCCCc1ccccc1S(=O)(=O)N 271570a_100020621405_100000735520 [0,2,0,0,0,0|2,0,0]=4 4400 B14R1.788 CCCNc1ccccc1S(=O)(=O)N 34a_100011204920_100000210303 [0,2,0,0,0,0|2,0,0]=4 4401 B14R1.788 CCCOc1ccccc1S(=O)(=O)C 34a_100000054562_100000210303 [0,2,0,0,0,0|2,0,0]=4 4402 B14R1.788 CCCOc1ccccc1S(=O)(=O)C 7a_100000054562_100000210303 [0,2,0,0,0,0|2,0,0]=4 4403 B14R1.788 CCCSc1ccccc1S(=O)(=O)N 62a_100000164562_100000210303 [0,2,0,0,0,0|1,1,0]=4 4404 B14R1.788 CCNCc1ccccc1S(=O)(=O)N 2230a_100015525214_200137420970 [0,2,0,0,0,0|2,0,0]=4 4405 B14R1.788 CCOCc1ccccc1S(=O)(=O)C 34a_100000730197_100000210202 [0,2,0,0,0,0|2,0,0]=4 4406 B14R1.788 CCOCc1ccccc1S(=O)(=O)C 34a_100121572206_100009814939 [0,2,0,0,0,0|2,0,0]=4 4407 B14R1.788 CCOCc1ccccc1S(=O)(=O)C 7a_100000730197_100000210202 [0,2,0,0,0,0|2,0,0]=4 4408 B14R1.788 CCOCc1ccccc1S(=O)(=O)N 34a_100121572206_200137420970 [0,2,0,0,0,0|1,0,0]=3 4409 B14R1.788 CCSCc1ccccc1S(=O)(=O)N 62a_200137420970_100000210202 [0,2,0,0,0,0|1,1,0]=4 4410 B14R1.788 COCSc1ccccc1S(=O)(=O)N 62a_100000164562_100000766300 [0,2,0,0,0,0|1,1,0]=4 4411 B14R1.788 CS(=O)(=O)c1ccccc1OCCF 34a_100000054562_100011217306 [0,2,0,0,0,0|2,0,0]=4 4412 B14R1.788 CS(=O)(=O)c1ccccc1OCCF 7a_100000054562_100011217306 [0,2,0,0,0,0|2,0,0]=4 4413 B14R1.788 CS(=O)(=O)c1ccccc1OCCO 34a_100000054562_100000211926 [0,2,0,0,0,0|2,0,0]=4 4414 B14R1.788 CS(=O)(=O)c1ccccc1OCCO 7a_100000054562_100000211926 [0,2,0,0,0,0|2,0,0]=4 4415 B14R1.788 CSCNc1ccccc1S(=O)(=O)N 34a_100011204920_100011218213 [0,2,0,0,0,0|2,0,0]=4 4416 B14R1.788 CSCOc1ccccc1S(=O)(=O)C 34a_100000054562_100011218213 [0,2,0,0,0,0|2,0,0]=4 4417 B14R1.788 CSCSc1ccccc1S(=O)(=O)N 62a_100000164562_100011218213 [0,2,0,0,0,0|1,1,0]=4 4418 B14R1.788 NS(=O)(=O)c1ccccc1NCCF 34a_100011204920_100011217306 [0,2,0,0,0,0|2,0,0]=4 4419 B14R1.788 NS(=O)(=O)c1ccccc1NCCO 34a_100011204920_100000211926 [0,2,0,0,0,0|2,0,0]=4 4420 B14R1.788 NS(=O)(=O)c1ccccc1SCCF 62a_100000164562_100011217306 [0,2,0,0,0,0|1,1,0]=4 4421 B14R1.788 NS(=O)(=O)c1ccccc1SCCO 62a_100000164562_100000211926 [0,2,0,0,0,0|1,1,0]=4 4422 B14R1.815 CC(C)Nc1ccccc1S(=O)(=O)N 34a_100011204920_100000210206 [0,2,0,0,0,0|2,0,0]=4 4423 B14R1.815 CC(C)Oc1ccccc1S(=O)(=O)C 34a_100000054562_100000210206 [0,2,0,0,0,0|2,0,0]=4 4424 B14R1.815 CC(C)Oc1ccccc1S(=O)(=O)C 7a_100000054562_100000210206 [0,2,0,0,0,0|2,0,0]=4 4425 B14R1.815 CC(C)Sc1ccccc1S(=O)(=O)N 62a_100000164562_100000210206 [0,2,0,0,0,0|1,1,0]=4 4426 B14R1.5091 CCSc1c(cccc1S(=O)(=O)N)C 62a_100000210202_200012348303 [0,2,0,0,0,0|1,1,0]=4 4427 B14R1.5091 CCSc1c(cccc1S(=O)(=O)N)C 62a_200012348303_100000210202 [0,2,0,0,0,0|1,1,0]=4 4428 B14R1.5220 CCNc1ccccc1S(=O)(=O)NC 34a_100000736802_100000210202 [0,2,0,0,0,0|2,0,0]=4 4429 B14R1.5220 CCOc1ccccc1S(=O)(=O)NC 270084a_100102657272_100011361751 [0,2,0,0,0,0|1,0,0]=3 4430 B14R1.5220 CCOc1ccccc1S(=O)(=O)NC 274078a_100102657272_100011361751 [0,2,0,0,0,0|1,0,0]=3 4431 B14R1.5220 CCSc1ccccc1S(=O)(=O)NC 62a_200000165157_100000210202 [0,2,0,0,0,0|1,1,0]=4 4432 B14R1.5220 CCSc1ccccc1S(=O)(=O)NN 62a_200011248379_100000210202 [0,2,0,0,0,0|1,1,0]=4 4433 B14R1.263 C#CCC(=O)c1ccccc1OCC 1458a_100000211144_100000184674 [0,2,0,0,0,0|1,0,0]=3 4434 B14R1.263 C#CCC(=O)c1ccccc1SCC 1458a_100000195471_100000184674 [0,2,0,0,0,0|1,1,0]=4 4435 B14R1.263 C=CCC(=O)c1ccccc1OCC 1458a_100000211144_100000210623 [0,2,0,0,0,0|1,0,0]=3 4436 B14R1.263 C=CCC(=O)c1ccccc1SCC 1458a_100000195471_100000210623 [0,2,0,0,0,0|1,1,0]=4 4437 B14R1.263 C=COC(=O)c1ccccc1SCC 62a_100000210202_200000036168 [0,2,0,0,0,0|1,1,0]=4 4438 B14R1.263 C=COC(=O)c1ccccc1SCC 62a_200000036168_100000210202 [0,2,0,0,0,0|1,1,0]=4 4439 B14R1.263 CC=Cc1ccccc1C(=O)NCC 271570a_100016259895_200000155173 [0,2,0,0,0,0|1,0,1]=4 4440 B14R1.263 CCCC(=O)c1ccccc1OCC 1458a_100000211144_100000210303 [0,2,0,0,0,0|1,0,0]=3 4441 B14R1.263 CCCC(=O)c1ccccc1OCC 34a_200000073644_100000210202 [0,2,0,0,0,0|1,0,0]=3 4442 B14R1.263 CCCC(=O)c1ccccc1OCC 7a_200000073644_100000210202 [0,2,0,0,0,0|1,0,0]=3 4443 B14R1.263 CCCC(=O)c1ccccc1OCF 34a_200000073644_100015361967 [0,2,0,0,0,0|2,0,0]=4 4444 B14R1.263 CCCC(=O)c1ccccc1OCF 7a_200000073644_100015361967 [0,2,0,0,0,0|2,0,0]=4 4445 B14R1.263 CCCC(=O)c1ccccc1SCC 1458a_100000195471_100000210303 [0,2,0,0,0,0|1,1,0]=4 4446 B14R1.263 CCNC(=O)c1ccccc1COC 11a_100015525214_100000737999 [0,2,0,0,0,0|2,0,0]=4 4447 B14R1.263 CCNC(=O)c1ccccc1COC 240690a_100015525214_100000737999 [0,2,0,0,0,0|2,0,0]=4 4448 B14R1.263 CCNC(=O)c1ccccc1COC 527a_100015525214_100000737999 [0,2,0,0,0,0|2,0,0]=4 4449 B14R1.263 CCNC(=O)c1ccccc1NCC 27a_100015525214_200000155173 [0,2,0,0,0,0|1,0,0]=3 4450 B14R1.263 CCNC(=O)c1ccccc1NCC 34a_100000205978_100000210202 [0,2,0,0,0,0|1,0,0]=3 4451 B14R1.263 CCNC(=O)c1ccccc1NCF 34a_100000205978_100015361967 [0,2,0,0,0,0|2,0,0]=4 4452 B14R1.263 CCNC(=O)c1ccccc1OCC 11a_100015525214_100000211144 [0,2,0,0,0,0|0,0,0]=2 4453 B14R1.263 CCNC(=O)c1ccccc1OCC 240690a_100015525214_100000211144 [0,2,0,0,0,0|0,0,0]=2 4454 B14R1.263 CCNC(=O)c1ccccc1OCC 34a_100000192205_100000210202 [0,2,0,0,0,0|0,0,0]=2 4455 B14R1.263 CCNC(=O)c1ccccc1OCC 527a_100015525214_100000211144 [0,2,0,0,0,0|0,0,0]=2 4456 B14R1.263 CCNC(=O)c1ccccc1OCC 7a_100000192205_100000210202 [0,2,0,0,0,0|0,0,0]=2 4457 B14R1.263 CCNC(=O)c1ccccc1OCF 34a_100000192205_100015361967 [0,2,0,0,0,0|1,0,0]=3 4458 B14R1.263 CCNC(=O)c1ccccc1OCF 7a_100000192205_100015361967 [0,2,0,0,0,0|1,0,0]=3 4459 B14R1.263 CCNC(=O)c1ccccc1SCC 11a_100015525214_100000195471 [0,2,0,0,0,0|0,1,0]=3 4460 B14R1.263 CCNC(=O)c1ccccc1SCC 240690a_100015525214_100000195471 [0,2,0,0,0,0|0,1,0]=3 4461 B14R1.263 CCNC(=O)c1ccccc1SCC 527a_100015525214_100000195471 [0,2,0,0,0,0|0,1,0]=3 4462 B14R1.263 CCNC(=O)c1ccccc1SCC 62a_100000210202_200000155173 [0,2,0,0,0,0|0,1,0]=3 4463 B14R1.263 CCNC(=O)c1ccccc1SCC 62a_200000155173_100000210202 [0,2,0,0,0,0|0,1,0]=3 4464 B14R1.263 CCNC(=O)c1ccccc1SCF 62a_100015361967_200000155173 [0,2,0,0,0,0|1,1,0]=4 4465 B14R1.263 CCNC(=O)c1ccccc1SCF 62a_200000155173_100015361967 [0,2,0,0,0,0|1,1,0]=4 4466 B14R1.263 CCNC(=O)c1cccnc1NCC 27a_100015525214_100000160120 [0,2,0,0,0,0|2,0,0]=4 4467 B14R1.263 CCNC(=O)c1cccnc1SCC 62a_100000210202_100000160120 [0,2,0,0,0,0|1,1,0]=4 4468 B14R1.263 CCNC(C)c1ccccc1OCC 2230a_100000737537_100000210202 [0,2,0,0,0,0|1,0,1]=4 4469 B14R1.263 CCNC(C)c1ccccc1OCC 269862a_100015525214_100000172999 [0,2,0,0,0,0|1,0,1]=4 4470 B14R1.263 CCNc1ccccc1C(=O)NOC 34a_100011599994_100000210202 [0,2,0,0,0,0|1,0,0]=3 4471 B14R1.263 CCOC(=O)c1ccccc1OCC 7a_100000169922_100000210202 [0,2,0,0,0,0|1,0,0]=3 4472 B14R1.263 CCOC(=O)c1ccccc1OCF 7a_100000169922_100015361967 [0,2,0,0,0,0|2,0,0]=4 4473 B14R1.263 CCOC(=O)c1ccccc1SCC 62a_100000169876_100000210202 [0,2,0,0,0,0|1,1,0]=4 4474 B14R1.263 CCOC(=O)c1ccccc1SCC 62a_100000210202_100000169879 [0,2,0,0,0,0|1,1,0]=4 4475 B14R1.263 CCOC(=O)c1ncccc1OCC 7a_200011376064_100000210202 [0,2,0,0,0,0|2,0,0]=4 4476 B14R1.263 CCOc1ccccc1C(=O)CC#N 1458a_100000211144_100011214920 [0,2,0,0,0,0|0,0,1]=3 4477 B14R1.263 CCOc1ccccc1C(=O)CC#N 7a_200009873261_100000210202 [0,2,0,0,0,0|0,0,1]=3 4478 B14R1.263 CCOc1ccccc1C(=O)CCCl 7a_100009873196_100000210202 [0,2,0,0,0,0|1,0,0]=3 4479 B14R1.263 CCOc1ccccc1C(=O)CCF 1458a_100000211144_100011217306 [0,2,0,0,0,0|1,0,0]=3 4480 B14R1.263 CCOc1ccccc1C(=O)CCO 1458a_100000211144_100000211926 [0,2,0,0,0,0|1,0,0]=3 4481 B14R1.263 CCOc1ccccc1C(=O)NNC 22a_100016993582_100000211144 [0,2,0,0,0,0|0,0,0]=2 4482 B14R1.263 CCSc1ccccc1C(=O)CC#N 1458a_100000195471_100011214920 [0,2,0,0,0,0|0,1,1]=4 4483 B14R1.263 CCSc1ccccc1C(=O)CC#N 62a_100000210202_100011225204 [0,2,0,0,0,0|0,1,1]=4 4484 B14R1.263 CCSc1ccccc1C(=O)CC#N 62a_100011225204_100000210202 [0,2,0,0,0,0|0,1,1]=4 4485 B14R1.263 CCSc1ccccc1C(=O)CCF 1458a_100000195471_100011217306 [0,2,0,0,0,0|1,1,0]=4 4486 B14R1.263 CCSc1ccccc1C(=O)CCO 1458a_100000195471_100000211926 [0,2,0,0,0,0|1,1,0]=4 4487 B14R1.263 CCSc1ccccc1C(=O)NNC 22a_100016993582_100000195471 [0,2,0,0,0,0|0,1,0]=3 4488 B14R1.263 CNNC(=O)c1ccccc1COC 22a_100016993582_100000737999 [0,2,0,0,0,0|2,0,0]=4 4489 B14R1.263 CONC(=O)c1ccccc1NCF 34a_100011599994_100015361967 [0,2,0,0,0,0|2,0,0]=4 4490 B14R1.263 N#CCC(=O)c1ccccc1OCF 7a_200009873261_100015361967 [0,2,0,0,0,0|1,0,1]=4 4491 B14R1.263 O=C(CCCl)c1ccccc1OCF 7a_100009873196_100015361967 [0,2,0,0,0,0|2,0,0]=4 4492 B14R1.746 CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210202 [0,2,0,0,0,0|2,0,0]=4 4493 B14R1.746 CCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000204670 [0,2,0,0,0,0|2,0,0]=4 4494 B14R1.746 CCN(C)c1ccccc1C(=O)OC 34a_100000170468_100000210202 [0,2,0,0,0,0|2,0,0]=4 4495 B14R1.746 CNC(=O)c1ccccc1C(=O)OC 1626a_100102657272_100011215673 [0,2,0,0,0,0|2,0,0]=4 4496 B14R1.746 CNC(=O)c1ccccc1C(=O)OC 240690a_100102657272_100011215673 [0,2,0,0,0,0|2,0,0]=4 4497 B14R1.789 C#CCNc1ccccc1C(=O)NC 27a_100000212058_100000155073 [0,2,0,0,0,0|1,0,1]=4 4498 B14R1.789 C#CCNc1ccccc1C(=O)NC 34a_100000185696_100000184674 [0,2,0,0,0,0|1,0,1]=4 4499 B14R1.789 C#CCOc1ccccc1C(=O)CBr 7a_100000188908_100000038162 [0,2,0,0,0,0|1,0,1]=4 4500 B14R1.789 C#CCOc1ccccc1C(=O)CC 1458a_100000217172_100000210202 [0,2,0,0,0,0|1,0,1]=4 4501 B14R1.789 C#CCOc1ccccc1C(=O)CC 7a_100000184720_100000038162 [0,2,0,0,0,0|1,0,1]=4 4502 B14R1.789 C#CCOc1ccccc1C(=O)CF 1458a_100000217172_100015361967 [0,2,0,0,0,0|1,0,1]=4 4503 B14R1.789 C#CCOc1ccccc1C(=O)NC 11a_106832991635_100000217172 [0,2,0,0,0,0|0,0,1]=3 4504 B14R1.789 C#CCOc1ccccc1C(=O)NC 1626a_100102657272_100000217172 [0,2,0,0,0,0|0,0,1]=3 4505 B14R1.789 C#CCOc1ccccc1C(=O)NC 240690a_100102657272_100000217172 [0,2,0,0,0,0|0,0,1]=3 4506 B14R1.789 C#CCOc1ccccc1C(=O)NC 34a_100000185920_100000184674 [0,2,0,0,0,0|0,0,1]=3 4507 B14R1.789 C#CCOc1ccccc1C(=O)NC 527a_100102657272_100000217172 [0,2,0,0,0,0|0,0,1]=3 4508 B14R1.789 C#CCOc1ccccc1C(=O)NC 7a_100000185920_100000038162 [0,2,0,0,0,0|0,0,1]=3 4509 B14R1.789 C#CCOc1ccccc1C(=O)NN 34a_100000186518_100000184674 [0,2,0,0,0,0|0,0,1]=3 4510 B14R1.789 C#CCOc1ccccc1C(=O)NO 34a_100000188472_100000184674 [0,2,0,0,0,0|0,0,1]=3 4511 B14R1.789 C#CCOc1ccccc1C(=O)OC 7a_100000150335_100000038162 [0,2,0,0,0,0|1,0,1]=4 4512 B14R1.789 C#CCOc1cccnc1C(=O)NC 34a_100011376092_100000184674 [0,2,0,0,0,0|1,0,1]=4 4513 B14R1.789 C#CCOc1cccnc1C(=O)NC 7a_100011376092_100000038162 [0,2,0,0,0,0|1,0,1]=4 4514 B14R1.789 C#CCSc1ccccc1C(=O)NC 62a_100000038162_100000155073 [0,2,0,0,0,0|0,1,1]=4 4515 B14R1.789 C#CCSc1ccccc1C(=O)NN 62a_100000038162_100000190081 [0,2,0,0,0,0|0,1,1]=4 4516 B14R1.789 C=CCNc1ccccc1C(=O)NC 27a_100020586998_100000155073 [0,2,0,0,0,0|1,0,1]=4 4517 B14R1.789 C=CCNc1ccccc1C(=O)NC 34a_100000185696_100015514636 [0,2,0,0,0,0|1,0,1]=4 4518 B14R1.789 C=CCOc1ccccc1C(=O)CBr 7a_100000188908_100015514636 [0,2,0,0,0,0|1,0,1]=4 4519 B14R1.789 C=CCOc1ccccc1C(=O)CC 1458a_100000189412_100000210202 [0,2,0,0,0,0|1,0,1]=4 4520 B14R1.789 C=CCOc1ccccc1C(=O)CC 7a_100000184720_100015514636 [0,2,0,0,0,0|1,0,1]=4 4521 B14R1.789 C=CCOc1ccccc1C(=O)CF 1458a_100000189412_100015361967 [0,2,0,0,0,0|1,0,1]=4 4522 B14R1.789 C=CCOc1ccccc1C(=O)NC 11a_106832991635_100000189412 [0,2,0,0,0,0|0,0,1]=3 4523 B14R1.789 C=CCOc1ccccc1C(=O)NC 1626a_100102657272_100000189412 [0,2,0,0,0,0|0,0,1]=3 4524 B14R1.789 C=CCOc1ccccc1C(=O)NC 240690a_100102657272_100000189412 [0,2,0,0,0,0|0,0,1]=3 4525 B14R1.789 C=CCOc1ccccc1C(=O)NC 34a_100000185920_100015514636 [0,2,0,0,0,0|0,0,1]=3 4526 B14R1.789 C=CCOc1ccccc1C(=O)NC 527a_100102657272_100000189412 [0,2,0,0,0,0|0,0,1]=3 4527 B14R1.789 C=CCOc1ccccc1C(=O)NC 7a_100000185920_100015514636 [0,2,0,0,0,0|0,0,1]=3 4528 B14R1.789 C=CCOc1ccccc1C(=O)NN 34a_100000186518_100015514636 [0,2,0,0,0,0|0,0,1]=3 4529 B14R1.789 C=CCOc1ccccc1C(=O)NO 34a_100000188472_100015514636 [0,2,0,0,0,0|0,0,1]=3 4530 B14R1.789 C=CCOc1ccccc1C(=O)OC 7a_100000150335_100015514636 [0,2,0,0,0,0|1,0,1]=4 4531 B14R1.789 C=CCOc1cccnc1C(=O)NC 34a_100011376092_100015514636 [0,2,0,0,0,0|1,0,1]=4 4532 B14R1.789 C=CCOc1cccnc1C(=O)NC 7a_100011376092_100015514636 [0,2,0,0,0,0|1,0,1]=4 4533 B14R1.789 C=CCSc1ccccc1C(=O)NC 62a_100000155073_100000210623 [0,2,0,0,0,0|0,1,1]=4 4534 B14R1.789 C=CCSc1ccccc1C(=O)NC 62a_100000210623_100000155073 [0,2,0,0,0,0|0,1,1]=4 4535 B14R1.789 C=CCSc1ccccc1C(=O)NN 62a_100000190081_100000210623 [0,2,0,0,0,0|0,1,1]=4 4536 B14R1.789 C=CCSc1ccccc1C(=O)NN 62a_100000210623_100000190081 [0,2,0,0,0,0|0,1,1]=4 4537 B14R1.789 CC(=NO)c1ccccc1OCCF 34a_100000164216_100011217306 [0,2,0,0,0,0|1,0,1]=4 4538 B14R1.789 CC(=NO)c1ccccc1OCCO 34a_100000164216_100000211926 [0,2,0,0,0,0|1,0,1]=4 4539 B14R1.789 CCC(=O)c1ccccc1OCC#N 7a_100000184720_100011215382 [0,2,0,0,0,0|1,0,1]=4 4540 B14R1.789 CCC(=O)c1ccccc1OCC=O 7a_100000184720_200015260668 [0,2,0,0,0,0|1,0,1]=4 4541 B14R1.789 CCC(=O)c1ccccc1OCCF 7a_100000184720_100011217306 [0,2,0,0,0,0|1,0,0]=3 4542 B14R1.789 CCC(=O)c1ccccc1OCCO 1458a_200000217288_100000210202 [0,2,0,0,0,0|1,0,0]=3 4543 B14R1.789 CCC(=O)c1ccccc1OCCO 7a_100000184720_100000211926 [0,2,0,0,0,0|1,0,0]=3 4544 B14R1.789 CCCCc1ccccc1C(=O)NC 271570a_100020621405_100000155073 [0,2,0,0,0,0|1,0,0]=3 4545 B14R1.789 CCCCc1ccccc1C(=O)NN 271570a_100020621405_100000190081 [0,2,0,0,0,0|1,0,0]=3 4546 B14R1.789 CCCCc1ccccc1C(=O)OC 271570a_100020621405_100000148710 [0,2,0,0,0,0|2,0,0]=4 4547 B14R1.789 CCCCc1ncccc1C(=O)NC 271570a_100020621405_100000159833 [0,2,0,0,0,0|2,0,0]=4 4548 B14R1.789 CCCNc1ccccc1C(=O)NC 34a_100000185696_100000210303 [0,2,0,0,0,0|1,0,0]=3 4549 B14R1.789 CCCOc1ccccc1C(=NO)C 34a_100000164216_100000210303 [0,2,0,0,0,0|1,0,1]=4 4550 B14R1.789 CCCOc1ccccc1C(=O)CBr 7a_100000188908_100000210303 [0,2,0,0,0,0|1,0,0]=3 4551 B14R1.789 CCCOc1ccccc1C(=O)CC 1458a_100000215688_100000210202 [0,2,0,0,0,0|1,0,0]=3 4552 B14R1.789 CCCOc1ccccc1C(=O)CC 7a_100000184720_100000210303 [0,2,0,0,0,0|1,0,0]=3 4553 B14R1.789 CCCOc1ccccc1C(=O)CF 1458a_100000215688_100015361967 [0,2,0,0,0,0|1,0,0]=3 4554 B14R1.789 CCCOc1ccccc1C(=O)NC 11a_106832991635_100000215688 [0,2,0,0,0,0|0,0,0]=2 4555 B14R1.789 CCCOc1ccccc1C(=O)NC 1626a_100102657272_100000215688 [0,2,0,0,0,0|0,0,0]=2 4556 B14R1.789 CCCOc1ccccc1C(=O)NC 240690a_100102657272_100000215688 [0,2,0,0,0,0|0,0,0]=2 4557 B14R1.789 CCCOc1ccccc1C(=O)NC 34a_100000185920_100000210303 [0,2,0,0,0,0|0,0,0]=2 4558 B14R1.789 CCCOc1ccccc1C(=O)NC 527a_100102657272_100000215688 [0,2,0,0,0,0|0,0,0]=2 4559 B14R1.789 CCCOc1ccccc1C(=O)NC 7a_100000185920_100000210303 [0,2,0,0,0,0|0,0,0]=2 4560 B14R1.789 CCCOc1ccccc1C(=O)NN 34a_100000186518_100000210303 [0,2,0,0,0,0|0,0,0]=2 4561 B14R1.789 CCCOc1ccccc1C(=O)NO 34a_100000188472_100000210303 [0,2,0,0,0,0|0,0,0]=2 4562 B14R1.789 CCCOc1ccccc1C(=O)OC 7a_100000150335_100000210303 [0,2,0,0,0,0|1,0,0]=3 4563 B14R1.789 CCCOc1cccnc1C(=O)NC 34a_100011376092_100000210303 [0,2,0,0,0,0|1,0,0]=3 4564 B14R1.789 CCCOc1cccnc1C(=O)NC 7a_100011376092_100000210303 [0,2,0,0,0,0|1,0,0]=3 4565 B14R1.789 CCCOc1cccnc1C(=O)OC 34a_100000744052_100000210303 [0,2,0,0,0,0|2,0,0]=4 4566 B14R1.789 CCCOc1cccnc1C(=O)OC 7a_100000744052_100000210303 [0,2,0,0,0,0|2,0,0]=4 4567 B14R1.789 CCCSc1ccccc1C(=O)CC 1458a_100000217225_100000210202 [0,2,0,0,0,0|1,1,0]=4 4568 B14R1.789 CCCSc1ccccc1C(=O)CF 1458a_100000217225_100015361967 [0,2,0,0,0,0|1,1,0]=4 4569 B14R1.789 CCCSc1ccccc1C(=O)NC 11a_106832991635_100000217225 [0,2,0,0,0,0|0,1,0]=3 4570 B14R1.789 CCCSc1ccccc1C(=O)NC 1626a_100102657272_100000217225 [0,2,0,0,0,0|0,1,0]=3 4571 B14R1.789 CCCSc1ccccc1C(=O)NC 240690a_100102657272_100000217225 [0,2,0,0,0,0|0,1,0]=3 4572 B14R1.789 CCCSc1ccccc1C(=O)NC 527a_100102657272_100000217225 [0,2,0,0,0,0|0,1,0]=3 4573 B14R1.789 CCCSc1ccccc1C(=O)NC 62a_100000155073_100000210303 [0,2,0,0,0,0|0,1,0]=3 4574 B14R1.789 CCCSc1ccccc1C(=O)NC 62a_100000210303_100000155073 [0,2,0,0,0,0|0,1,0]=3 4575 B14R1.789 CCCSc1ccccc1C(=O)NN 62a_100000190081_100000210303 [0,2,0,0,0,0|0,1,0]=3 4576 B14R1.789 CCCSc1ccccc1C(=O)NN 62a_100000210303_100000190081 [0,2,0,0,0,0|0,1,0]=3 4577 B14R1.789 CCCSc1ccccc1C(=O)OC 62a_100000148710_100000210303 [0,2,0,0,0,0|1,1,0]=4 4578 B14R1.789 CCCSc1ccccc1C(=O)OC 62a_100000210303_100000148710 [0,2,0,0,0,0|1,1,0]=4 4579 B14R1.789 CCCSc1ccccc1C(=O)O[Na] 62a_100000210303_114855342371 [0,2,0,0,0,0|1,1,0]=4 4580 B14R1.789 CCCSc1ncccc1C(=O)NC 62a_100000159833_100000210303 [0,2,0,0,0,0|1,1,0]=4 4581 B14R1.789 CCCSc1ncccc1C(=O)NC 62a_100000210303_100000159833 [0,2,0,0,0,0|1,1,0]=4 4582 B14R1.789 CCNCc1ccccc1C(=O)OC 2230a_100015525214_100000744672 [0,2,0,0,0,0|2,0,0]=4 4583 B14R1.789 CCOCc1ccccc1C(=O)NC 34a_100009855793_100000210202 [0,2,0,0,0,0|0,0,0]=2 4584 B14R1.789 CCOCc1ccccc1C(=O)NC 7a_100009855793_100000210202 [0,2,0,0,0,0|0,0,0]=2 4585 B14R1.789 CCOCc1ccccc1C(=O)OC 34a_100121572206_100000744672 [0,2,0,0,0,0|1,0,0]=3 4586 B14R1.789 CCOCc1cccnc1C(=O)OC 34a_100121572206_100010177730 [0,2,0,0,0,0|2,0,0]=4 4587 B14R1.789 CCOCc1ncccc1C(=O)OC 34a_100121572206_100012347567 [0,2,0,0,0,0|2,0,0]=4 4588 B14R1.789 CCSCc1ccccc1C(=O)OC 62a_100000210202_100000744672 [0,2,0,0,0,0|1,1,0]=4 4589 B14R1.789 CCSCc1ccccc1C(=O)OC 62a_100000744672_100000210202 [0,2,0,0,0,0|1,1,0]=4 4590 B14R1.789 CC[Hg]Sc1ccccc1C(=O)CC 1458a_100000046266_100000210202 [0,2,0,0,0,0|1,1,0]=4 4591 B14R1.789 CC[Hg]Sc1ccccc1C(=O)CF 1458a_100000046266_100015361967 [0,2,0,0,0,0|1,1,0]=4 4592 B14R1.789 CC[Hg]Sc1ccccc1C(=O)NC 11a_106832991635_100000046266 [0,2,0,0,0,0|0,1,0]=3 4593 B14R1.789 CC[Hg]Sc1ccccc1C(=O)NC 1626a_100102657272_100000046266 [0,2,0,0,0,0|0,1,0]=3 4594 B14R1.789 CC[Hg]Sc1ccccc1C(=O)NC 240690a_100102657272_100000046266 [0,2,0,0,0,0|0,1,0]=3 4595 B14R1.789 CC[Hg]Sc1ccccc1C(=O)NC 527a_100102657272_100000046266 [0,2,0,0,0,0|0,1,0]=3 4596 B14R1.789 CNC(=O)c1ccccc1COCF 34a_100009855793_100015361967 [0,2,0,0,0,0|1,0,0]=3 4597 B14R1.789 CNC(=O)c1ccccc1COCF 7a_100009855793_100015361967 [0,2,0,0,0,0|1,0,0]=3 4598 B14R1.789 CNC(=O)c1ccccc1NCC=O 34a_100000185696_200009817547 [0,2,0,0,0,0|1,0,1]=4 4599 B14R1.789 CNC(=O)c1ccccc1NCCF 34a_100000185696_100011217306 [0,2,0,0,0,0|1,0,0]=3 4600 B14R1.789 CNC(=O)c1ccccc1NCCO 27a_100000210304_100000155073 [0,2,0,0,0,0|1,0,0]=3 4601 B14R1.789 CNC(=O)c1ccccc1NCCO 34a_100000185696_100000211926 [0,2,0,0,0,0|1,0,0]=3 4602 B14R1.789 CNC(=O)c1ccccc1NCSC 34a_100000185696_100011218213 [0,2,0,0,0,0|1,0,0]=3 4603 B14R1.789 CNC(=O)c1ccccc1OCC#N 7a_100000185920_100011215382 [0,2,0,0,0,0|0,0,1]=3 4604 B14R1.789 CNC(=O)c1ccccc1OCC=O 34a_100000185920_200009817547 [0,2,0,0,0,0|0,0,1]=3 4605 B14R1.789 CNC(=O)c1ccccc1OCC=O 7a_100000185920_200015260668 [0,2,0,0,0,0|0,0,1]=3 4606 B14R1.789 CNC(=O)c1ccccc1OCCF 34a_100000185920_100011217306 [0,2,0,0,0,0|0,0,0]=2 4607 B14R1.789 CNC(=O)c1ccccc1OCCF 7a_100000185920_100011217306 [0,2,0,0,0,0|0,0,0]=2 4608 B14R1.789 CNC(=O)c1ccccc1OCCO 240690a_100102657272_200000217288 [0,2,0,0,0,0|0,0,0]=2 4609 B14R1.789 CNC(=O)c1ccccc1OCCO 34a_100000185920_100000211926 [0,2,0,0,0,0|0,0,0]=2 4610 B14R1.789 CNC(=O)c1ccccc1OCCO 7a_100000185920_100000211926 [0,2,0,0,0,0|0,0,0]=2 4611 B14R1.789 CNC(=O)c1ccccc1OCSC 34a_100000185920_100011218213 [0,2,0,0,0,0|0,0,0]=2 4612 B14R1.789 CNC(=O)c1ccccc1SCC#N 62a_100000155073_100011215382 [0,2,0,0,0,0|0,1,1]=4 4613 B14R1.789 CNC(=O)c1ccccc1SCC#N 62a_100011215382_100000155073 [0,2,0,0,0,0|0,1,1]=4 4614 B14R1.789 CNC(=O)c1ccccc1SCC=O 62a_100000155073_200015260668 [0,2,0,0,0,0|0,1,1]=4 4615 B14R1.789 CNC(=O)c1ccccc1SCC=O 62a_200015260668_100000155073 [0,2,0,0,0,0|0,1,1]=4 4616 B14R1.789 CNC(=O)c1ccccc1SCCF 62a_100000155073_100011217306 [0,2,0,0,0,0|0,1,0]=3 4617 B14R1.789 CNC(=O)c1ccccc1SCCF 62a_100011217306_100000155073 [0,2,0,0,0,0|0,1,0]=3 4618 B14R1.789 CNC(=O)c1ccccc1SCCO 62a_100000155073_100000211926 [0,2,0,0,0,0|0,1,0]=3 4619 B14R1.789 CNC(=O)c1ccccc1SCCO 62a_100000211926_100000155073 [0,2,0,0,0,0|0,1,0]=3 4620 B14R1.789 CNC(=O)c1ccccc1SCOC 62a_100000155073_100000766300 [0,2,0,0,0,0|0,1,0]=3 4621 B14R1.789 CNC(=O)c1ccccc1SCOC 62a_100000766300_100000155073 [0,2,0,0,0,0|0,1,0]=3 4622 B14R1.789 CNC(=O)c1ccccc1SCSC 62a_100000155073_100011218213 [0,2,0,0,0,0|0,1,0]=3 4623 B14R1.789 CNC(=O)c1ccccc1SCSC 62a_100011218213_100000155073 [0,2,0,0,0,0|0,1,0]=3 4624 B14R1.789 CNC(=O)c1cccnc1NCCO 27a_100000210304_100000159833 [0,2,0,0,0,0|2,0,0]=4 4625 B14R1.789 CNC(=O)c1cccnc1SCCF 62a_100000159833_100011217306 [0,2,0,0,0,0|1,1,0]=4 4626 B14R1.789 CNC(=O)c1cccnc1SCCF 62a_100011217306_100000159833 [0,2,0,0,0,0|1,1,0]=4 4627 B14R1.789 CNC(=O)c1cccnc1SCCO 62a_100000159833_100000211926 [0,2,0,0,0,0|1,1,0]=4 4628 B14R1.789 CNC(=O)c1cccnc1SCCO 62a_100000211926_100000159833 [0,2,0,0,0,0|1,1,0]=4 4629 B14R1.789 CNC(=O)c1cccnc1SCOC 62a_100000159833_100000766300 [0,2,0,0,0,0|1,1,0]=4 4630 B14R1.789 CNC(=O)c1cccnc1SCOC 62a_100000766300_100000159833 [0,2,0,0,0,0|1,1,0]=4 4631 B14R1.789 CNC(=O)c1cccnc1SCSC 62a_100000159833_100011218213 [0,2,0,0,0,0|1,1,0]=4 4632 B14R1.789 CNC(=O)c1cccnc1SCSC 62a_100011218213_100000159833 [0,2,0,0,0,0|1,1,0]=4 4633 B14R1.789 CNC(=O)c1ncccc1OCC#N 7a_100011376092_100011215382 [0,2,0,0,0,0|1,0,1]=4 4634 B14R1.789 CNC(=O)c1ncccc1OCC=O 34a_100011376092_200009817547 [0,2,0,0,0,0|1,0,1]=4 4635 B14R1.789 CNC(=O)c1ncccc1OCC=O 7a_100011376092_200015260668 [0,2,0,0,0,0|1,0,1]=4 4636 B14R1.789 CNC(=O)c1ncccc1OCCF 34a_100011376092_100011217306 [0,2,0,0,0,0|1,0,0]=3 4637 B14R1.789 CNC(=O)c1ncccc1OCCF 7a_100011376092_100011217306 [0,2,0,0,0,0|1,0,0]=3 4638 B14R1.789 CNC(=O)c1ncccc1OCCO 34a_100011376092_100000211926 [0,2,0,0,0,0|1,0,0]=3 4639 B14R1.789 CNC(=O)c1ncccc1OCCO 7a_100011376092_100000211926 [0,2,0,0,0,0|1,0,0]=3 4640 B14R1.789 CNC(=O)c1ncccc1OCSC 34a_100011376092_100011218213 [0,2,0,0,0,0|1,0,0]=3 4641 B14R1.789 CNCCc1ccccc1C(=O)OC 2230a_106832991635_200010284099 [0,2,0,0,0,0|2,0,0]=4 4642 B14R1.789 CNCCc1ccccc1C(=O)OC 34a_100102657272_200010284099 [0,2,0,0,0,0|2,0,0]=4 4643 B14R1.789 CNCCc1ccccc1C(=O)OC 7a_106832991635_200010284099 [0,2,0,0,0,0|2,0,0]=4 4644 B14R1.789 COC(=O)c1ccccc1CCSC 62a_200000210301_200010284099 [0,2,0,0,0,0|2,0,0]=4 4645 B14R1.789 COC(=O)c1ccccc1CCSC 62a_200010284099_200000210301 [0,2,0,0,0,0|2,0,0]=4 4646 B14R1.789 COC(=O)c1ccccc1CCS[13CH3] 62a_200010284099_200025704644 [0,2,0,0,0,0|2,0,0]=4 4647 B14R1.789 COC(=O)c1ccccc1CCS[13CH3] 62a_200025704644_200010284099 [0,2,0,0,0,0|2,0,0]=4 4648 B14R1.789 COC(=O)c1ccccc1OCC#N 7a_100000150335_100011215382 [0,2,0,0,0,0|1,0,1]=4 4649 B14R1.789 COC(=O)c1ccccc1OCC=O 7a_100000150335_200015260668 [0,2,0,0,0,0|1,0,1]=4 4650 B14R1.789 COC(=O)c1ccccc1OCCF 7a_100000150335_100011217306 [0,2,0,0,0,0|1,0,0]=3 4651 B14R1.789 COC(=O)c1ccccc1OCCO 7a_100000150335_100000211926 [0,2,0,0,0,0|1,0,0]=3 4652 B14R1.789 COC(=O)c1ccccc1SCCF 62a_100000148710_100011217306 [0,2,0,0,0,0|1,1,0]=4 4653 B14R1.789 COC(=O)c1ccccc1SCCF 62a_100011217306_100000148710 [0,2,0,0,0,0|1,1,0]=4 4654 B14R1.789 COC(=O)c1ccccc1SCCO 62a_100000148710_100000211926 [0,2,0,0,0,0|1,1,0]=4 4655 B14R1.789 COC(=O)c1ccccc1SCCO 62a_100000211926_100000148710 [0,2,0,0,0,0|1,1,0]=4 4656 B14R1.789 COC(=O)c1ccccc1SCSC 62a_100000148710_100011218213 [0,2,0,0,0,0|1,1,0]=4 4657 B14R1.789 COC(=O)c1ccccc1SCSC 62a_100011218213_100000148710 [0,2,0,0,0,0|1,1,0]=4 4658 B14R1.789 COC(=O)c1ncccc1OCCF 34a_100000744052_100011217306 [0,2,0,0,0,0|2,0,0]=4 4659 B14R1.789 COC(=O)c1ncccc1OCCF 7a_100000744052_100011217306 [0,2,0,0,0,0|2,0,0]=4 4660 B14R1.789 COC(=O)c1ncccc1OCCO 34a_100000744052_100000211926 [0,2,0,0,0,0|2,0,0]=4 4661 B14R1.789 COC(=O)c1ncccc1OCCO 7a_100000744052_100000211926 [0,2,0,0,0,0|2,0,0]=4 4662 B14R1.789 COC(=O)c1ncccc1OCSC 34a_100000744052_100011218213 [0,2,0,0,0,0|2,0,0]=4 4663 B14R1.789 COCCc1ccccc1C(=O)OC 34a_100138415774_200010284099 [0,2,0,0,0,0|2,0,0]=4 4664 B14R1.789 COCSc1ccccc1C(=O)NN 62a_100000190081_100000766300 [0,2,0,0,0,0|0,1,0]=3 4665 B14R1.789 COCSc1ccccc1C(=O)NN 62a_100000766300_100000190081 [0,2,0,0,0,0|0,1,0]=3 4666 B14R1.789 COCSc1ccccc1C(=O)OC 62a_100000148710_100000766300 [0,2,0,0,0,0|1,1,0]=4 4667 B14R1.789 COCSc1ccccc1C(=O)OC 62a_100000766300_100000148710 [0,2,0,0,0,0|1,1,0]=4 4668 B14R1.789 COCSc1ccccc1C(=O)O[Na] 62a_100000766300_114855342371 [0,2,0,0,0,0|1,1,0]=4 4669 B14R1.789 CSCOc1ccccc1C(=NO)C 34a_100000164216_100011218213 [0,2,0,0,0,0|1,0,1]=4 4670 B14R1.789 CSCOc1ccccc1C(=O)NN 34a_100000186518_100011218213 [0,2,0,0,0,0|0,0,0]=2 4671 B14R1.789 CSCOc1ccccc1C(=O)NO 34a_100000188472_100011218213 [0,2,0,0,0,0|0,0,0]=2 4672 B14R1.789 CSCSc1ccccc1C(=O)NN 62a_100000190081_100011218213 [0,2,0,0,0,0|0,1,0]=3 4673 B14R1.789 CSCSc1ccccc1C(=O)NN 62a_100011218213_100000190081 [0,2,0,0,0,0|0,1,0]=3 4674 B14R1.789 CSCSc1ccccc1C(=O)O[Na] 62a_100011218213_114855342371 [0,2,0,0,0,0|1,1,0]=4 4675 B14R1.789 N#CCOc1ccccc1C(=O)CBr 7a_100000188908_100011215382 [0,2,0,0,0,0|1,0,1]=4 4676 B14R1.789 N#CCSc1ccccc1C(=O)NN 62a_100000190081_100011215382 [0,2,0,0,0,0|0,1,1]=4 4677 B14R1.789 N#CCSc1ccccc1C(=O)NN 62a_100011215382_100000190081 [0,2,0,0,0,0|0,1,1]=4 4678 B14R1.789 NNC(=O)c1ccccc1OCC=O 34a_100000186518_200009817547 [0,2,0,0,0,0|0,0,1]=3 4679 B14R1.789 NNC(=O)c1ccccc1OCCF 34a_100000186518_100011217306 [0,2,0,0,0,0|0,0,0]=2 4680 B14R1.789 NNC(=O)c1ccccc1OCCO 34a_100000186518_100000211926 [0,2,0,0,0,0|0,0,0]=2 4681 B14R1.789 NNC(=O)c1ccccc1SCC=O 62a_100000190081_200015260668 [0,2,0,0,0,0|0,1,1]=4 4682 B14R1.789 NNC(=O)c1ccccc1SCC=O 62a_200015260668_100000190081 [0,2,0,0,0,0|0,1,1]=4 4683 B14R1.789 NNC(=O)c1ccccc1SCCF 62a_100000190081_100011217306 [0,2,0,0,0,0|0,1,0]=3 4684 B14R1.789 NNC(=O)c1ccccc1SCCF 62a_100011217306_100000190081 [0,2,0,0,0,0|0,1,0]=3 4685 B14R1.789 NNC(=O)c1ccccc1SCCO 62a_100000190081_100000211926 [0,2,0,0,0,0|0,1,0]=3 4686 B14R1.789 NNC(=O)c1ccccc1SCCO 62a_100000211926_100000190081 [0,2,0,0,0,0|0,1,0]=3 4687 B14R1.789 O=C(CBr)c1ccccc1OCCF 7a_100000188908_100011217306 [0,2,0,0,0,0|1,0,0]=3 4688 B14R1.789 O=C(CBr)c1ccccc1OCCO 7a_100000188908_100000211926 [0,2,0,0,0,0|1,0,0]=3 4689 B14R1.789 O=C(CF)c1ccccc1OCCO 1458a_200000217288_100015361967 [0,2,0,0,0,0|1,0,0]=3 4690 B14R1.789 O=C(NO)c1ccccc1OCCF 34a_100000188472_100011217306 [0,2,0,0,0,0|0,0,0]=2 4691 B14R1.789 O=C(NO)c1ccccc1OCCO 34a_100000188472_100000211926 [0,2,0,0,0,0|0,0,0]=2 4692 B14R1.789 O=C(O[Na])c1ccccc1SCCF 62a_100011217306_114855342371 [0,2,0,0,0,0|1,1,0]=4 4693 B14R1.789 O=C(O[Na])c1ccccc1SCCO 62a_100000211926_114855342371 [0,2,0,0,0,0|1,1,0]=4 4694 B14R1.789 O=CCOc1ccccc1C(=O)CBr 7a_100000188908_200015260668 [0,2,0,0,0,0|1,0,1]=4 4695 B14R1.789 O=CCOc1ccccc1C(=O)NO 34a_100000188472_200009817547 [0,2,0,0,0,0|0,0,1]=3 4696 B14R1.3101 CCNc1c(cccc1C(=O)NC)C 34a_100000223168_100000210202 [0,2,0,0,0,0|1,0,0]=3 4697 B14R1.3101 CCNc1c(cccc1C(=O)NC)Cl 34a_200012181065_100000210202 [0,2,0,0,0,0|1,0,0]=3 4698 B14R1.3101 CCOc1c(cccc1C(=O)NN)C 34a_100000193353_100000210202 [0,2,0,0,0,0|0,0,0]=2 4699 B14R1.3101 CCOc1c(cccc1C(=O)OC)Br 34a_100009816214_100000210202 [0,2,0,0,0,0|1,0,0]=3 4700 B14R1.3101 CCOc1c(cccc1C(=O)OC)C 34a_100000149854_100000210202 [0,2,0,0,0,0|1,0,0]=3 4701 B14R1.3101 CCOc1c(cccc1C(=O)OC)C 7a_100000149854_100000210202 [0,2,0,0,0,0|1,0,0]=3 4702 B14R1.3101 CCOc1c(cccc1C(=O)OC)Cl 34a_100000074923_100000210202 [0,2,0,0,0,0|1,0,0]=3 4703 B14R1.3101 CCOc1c(cccc1C(=O)OC)Cl 7a_100000074923_100000210202 [0,2,0,0,0,0|1,0,0]=3 4704 B14R1.3101 CCOc1c(cccc1C(=O)OC)F 34a_100000082593_100000210202 [0,2,0,0,0,0|1,0,0]=3 4705 B14R1.3101 CCOc1c(cccc1C(=O)OC)F 7a_100000082593_100000210202 [0,2,0,0,0,0|1,0,0]=3 4706 B14R1.3101 CCOc1c(cccc1C(=O)OC)N 34a_100000750886_100000210202 [0,2,0,0,0,0|1,0,0]=3 4707 B14R1.3101 CCSc1c(cccc1C(=O)NN)C 62a_100000210202_200012340524 [0,2,0,0,0,0|0,1,0]=3 4708 B14R1.3101 CCSc1c(cccc1C(=O)NN)C 62a_200012340524_100000210202 [0,2,0,0,0,0|0,1,0]=3 4709 B14R1.3101 CCSc1c(cccc1C(=O)OC)Br 62a_100000210202_100010150843 [0,2,0,0,0,0|1,1,0]=4 4710 B14R1.3101 CCSc1c(cccc1C(=O)OC)Br 62a_100010150843_100000210202 [0,2,0,0,0,0|1,1,0]=4 4711 B14R1.3101 CCSc1c(cccc1C(=O)OC)C 62a_100000210202_100012002529 [0,2,0,0,0,0|1,1,0]=4 4712 B14R1.3101 CCSc1c(cccc1C(=O)OC)C 62a_100012002529_100000210202 [0,2,0,0,0,0|1,1,0]=4 4713 B14R1.3101 CCSc1c(cccc1C(=O)OC)F 62a_100000210202_100012357630 [0,2,0,0,0,0|1,1,0]=4 4714 B14R1.3101 CCSc1c(cccc1C(=O)OC)F 62a_100012357630_100000210202 [0,2,0,0,0,0|1,1,0]=4 4715 B14R1.3101 CCSc1c(cccc1C(=O)OC)N 62a_100000719424_100000210202 [0,2,0,0,0,0|1,1,0]=4 4716 B14R1.3101 CCSc1c(cccc1C(=O)OC)O 62a_100000210202_200010230364 [0,2,0,0,0,0|1,1,0]=4 4717 B14R1.3101 CCSc1c(cccc1C(=O)OC)O 62a_200010230364_100000210202 [0,2,0,0,0,0|1,1,0]=4 4718 B14R1.3101 CNC(=O)c1cccc(c1NCF)C 34a_100000223168_100015361967 [0,2,0,0,0,0|2,0,0]=4 4719 B14R1.3101 CNC(=O)c1cccc(c1NCF)Cl 34a_200012181065_100015361967 [0,2,0,0,0,0|2,0,0]=4 4720 B14R1.3101 COC(=O)c1cccc(c1OCF)Br 34a_100009816214_100015361967 [0,2,0,0,0,0|2,0,0]=4 4721 B14R1.3101 COC(=O)c1cccc(c1OCF)C 34a_100000149854_100015361967 [0,2,0,0,0,0|2,0,0]=4 4722 B14R1.3101 COC(=O)c1cccc(c1OCF)C 7a_100000149854_100015361967 [0,2,0,0,0,0|2,0,0]=4 4723 B14R1.3101 COC(=O)c1cccc(c1OCF)Cl 34a_100000074923_100015361967 [0,2,0,0,0,0|2,0,0]=4 4724 B14R1.3101 COC(=O)c1cccc(c1OCF)Cl 7a_100000074923_100015361967 [0,2,0,0,0,0|2,0,0]=4 4725 B14R1.3101 COC(=O)c1cccc(c1OCF)F 34a_100000082593_100015361967 [0,2,0,0,0,0|2,0,0]=4 4726 B14R1.3101 COC(=O)c1cccc(c1OCF)F 7a_100000082593_100015361967 [0,2,0,0,0,0|2,0,0]=4 4727 B14R1.3101 COC(=O)c1cccc(c1OCF)N 34a_100000750886_100015361967 [0,2,0,0,0,0|2,0,0]=4 4728 B14R1.3101 Cc1cccc(c1OCF)C(=O)NN 34a_100000193353_100015361967 [0,2,0,0,0,0|1,0,0]=3 4729 B14R1.3101 Cc1cccc(c1SCF)C(=O)NN 62a_100015361967_200012340524 [0,2,0,0,0,0|1,1,0]=4 4730 B14R1.3101 Cc1cccc(c1SCF)C(=O)NN 62a_200012340524_100015361967 [0,2,0,0,0,0|1,1,0]=4 4731 B14R1.5566 CC=Cc1cccc(c1C(=O)NC)F 271570a_100016259895_100012642803 [0,2,0,0,0,0|1,0,1]=4 4732 B14R1.5566 CCNc1cccc(c1C(=O)NC)F 27a_100015525214_100012642803 [0,2,0,0,0,0|1,0,0]=3 4733 B14R1.5566 CCOc1cccc(c1C(=O)CC)C 1458a_200009913675_100000210202 [0,2,0,0,0,0|1,0,0]=3 4734 B14R1.5566 CCOc1cccc(c1C(=O)CF)C 1458a_200009913675_100015361967 [0,2,0,0,0,0|1,0,0]=3 4735 B14R1.5566 CCOc1cccc(c1C(=O)NC)C 11a_106832991635_200009913675 [0,2,0,0,0,0|0,0,0]=2 4736 B14R1.5566 CCOc1cccc(c1C(=O)NC)C 1626a_100102657272_200009913675 [0,2,0,0,0,0|0,0,0]=2 4737 B14R1.5566 CCOc1cccc(c1C(=O)NC)C 240690a_100102657272_200009913675 [0,2,0,0,0,0|0,0,0]=2 4738 B14R1.5566 CCOc1cccc(c1C(=O)NC)C 527a_100102657272_200009913675 [0,2,0,0,0,0|0,0,0]=2 4739 B14R1.5566 CCOc1cccc(c1C(=O)OC)C 34a_100000084604_100000210202 [0,2,0,0,0,0|1,0,0]=3 4740 B14R1.5566 CCOc1cccc(c1C(=O)OC)C 7a_100000084604_100000210202 [0,2,0,0,0,0|1,0,0]=3 4741 B14R1.5566 CCOc1cccc(c1C(=O)OC)Cl 34a_200000055445_100000210202 [0,2,0,0,0,0|1,0,0]=3 4742 B14R1.5566 CCOc1cccc(c1C(=O)OC)Cl 7a_200000055445_100000210202 [0,2,0,0,0,0|1,0,0]=3 4743 B14R1.5566 CCOc1cccc(c1C(=O)OC)F 34a_100011216559_100000210202 [0,2,0,0,0,0|1,0,0]=3 4744 B14R1.5566 CCOc1cccc(c1C(=O)OC)F 7a_100011216559_100000210202 [0,2,0,0,0,0|1,0,0]=3 4745 B14R1.5566 CCSc1cccc(c1C(=O)NC)F 62a_100000210202_100012642803 [0,2,0,0,0,0|0,1,0]=3 4746 B14R1.5566 CCSc1cccc(c1C(=O)NC)F 62a_100012642803_100000210202 [0,2,0,0,0,0|0,1,0]=3 4747 B14R1.5566 CCSc1cccc(c1C(=O)OC)Br 62a_100000210202_100010247157 [0,2,0,0,0,0|1,1,0]=4 4748 B14R1.5566 CCSc1cccc(c1C(=O)OC)Br 62a_100010247157_100000210202 [0,2,0,0,0,0|1,1,0]=4 4749 B14R1.5566 CCSc1cccc(c1C(=O)OC)C 62a_100000210202_100010204206 [0,2,0,0,0,0|1,1,0]=4 4750 B14R1.5566 CCSc1cccc(c1C(=O)OC)C 62a_100010204206_100000210202 [0,2,0,0,0,0|1,1,0]=4 4751 B14R1.5566 CCSc1cccc(c1C(=O)OC)Cl 62a_100000210202_100010150959 [0,2,0,0,0,0|1,1,0]=4 4752 B14R1.5566 CCSc1cccc(c1C(=O)OC)Cl 62a_100010150959_100000210202 [0,2,0,0,0,0|1,1,0]=4 4753 B14R1.5566 CCSc1cccc(c1C(=O)OC)F 62a_100000150693_100000210202 [0,2,0,0,0,0|1,1,0]=4 4754 B14R1.5566 CCSc1cccc(c1C(=O)OC)F 62a_100000210202_100000150693 [0,2,0,0,0,0|1,1,0]=4 4755 B14R1.5566 CCSc1cccc(c1C(=O)OC)N 62a_100010253892_100000210202 [0,2,0,0,0,0|1,1,0]=4 4756 B14R1.5566 CNC(=O)c1c(cccc1SCF)F 62a_100012642803_100015361967 [0,2,0,0,0,0|1,1,0]=4 4757 B14R1.5566 CNC(=O)c1c(cccc1SCF)F 62a_100015361967_100012642803 [0,2,0,0,0,0|1,1,0]=4 4758 B14R1.5566 COC(=O)c1c(cccc1OCF)C 34a_100000084604_100015361967 [0,2,0,0,0,0|2,0,0]=4 4759 B14R1.5566 COC(=O)c1c(cccc1OCF)C 7a_100000084604_100015361967 [0,2,0,0,0,0|2,0,0]=4 4760 B14R1.5566 COC(=O)c1c(cccc1OCF)Cl 34a_200000055445_100015361967 [0,2,0,0,0,0|2,0,0]=4 4761 B14R1.5566 COC(=O)c1c(cccc1OCF)Cl 7a_200000055445_100015361967 [0,2,0,0,0,0|2,0,0]=4 4762 B14R1.5566 COC(=O)c1c(cccc1OCF)F 34a_100011216559_100015361967 [0,2,0,0,0,0|2,0,0]=4 4763 B14R1.5566 COC(=O)c1c(cccc1OCF)F 7a_100011216559_100015361967 [0,2,0,0,0,0|2,0,0]=4 4764 B14R1.317 CCS(=O)(=O)c1ccccc1C(=O)C 1458a_100000199001_200000210301 [0,2,0,0,0,0|1,1,0]=4 4765 B14R1.317 CCS(=O)(=O)c1ccccc1C(=O)[13CH3] 1458a_100000199001_200025704644 [0,2,0,0,0,0|1,1,0]=4 4766 B14R1.405 CCN(CC)c1cccnc1C(=O)N 27a_100000724800_200012359670 [0,2,0,0,0,0|2,0,0]=4 4767 B14R1.405 CCN(CC)c1ccncc1C(=O)N 27a_100000724800_100000697804 [0,2,0,0,0,0|2,0,0]=4 4768 B14R1.405 CCN(CC)c1ncccc1C(=O)N 27a_100000724800_100000162199 [0,2,0,0,0,0|2,0,0]=4 4769 B14R1.429 CC(=C(C)c1ccccc1C(=O)N)C 271570a_200000049429_100000162227 [0,2,0,0,0,0|1,0,1]=4 4770 B14R1.429 CC(=O)N(C)c1ccccc1C(=O)N 11a_100000184419_100015343762 [0,2,0,0,0,0|1,0,1]=4 4771 B14R1.429 CC(=O)N(C)c1ccccc1C(=O)N 1626a_100000184419_100015343762 [0,2,0,0,0,0|1,0,1]=4 4772 B14R1.429 CC(C)N(C)c1ccccc1C(=O)N 269982a_100000184419_100000210206 [0,2,0,0,0,0|1,0,0]=3 4773 B14R1.429 CC(C)N(C)c1cccnc1C(=O)N 27a_200000211004_200012359670 [0,2,0,0,0,0|2,0,0]=4 4774 B14R1.429 CC(C)N(C)c1ccncc1C(=O)N 27a_200000211004_100000697804 [0,2,0,0,0,0|2,0,0]=4 4775 B14R1.429 CC(C)N(C)c1ncccc1C(=O)N 27a_200000211004_100000162199 [0,2,0,0,0,0|2,0,0]=4 4776 B14R1.623 C=C(C)c1ccccc1C(=O)OCC 271570a_100000694244_100000169879 [0,2,0,0,0,0|2,0,0]=4 4777 B14R1.623 C=CCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000210623 [0,2,0,0,0,0|1,0,1]=4 4778 B14R1.623 CCCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000210303 [0,2,0,0,0,0|1,0,0]=3 4779 B14R1.623 CCCN(C)c1cccnc1C(=O)N 27a_100000747261_200012359670 [0,2,0,0,0,0|2,0,0]=4 4780 B14R1.623 CCCN(C)c1ccncc1C(=O)N 27a_100000747261_100000697804 [0,2,0,0,0,0|2,0,0]=4 4781 B14R1.623 CCCN(C)c1ncccc1C(=O)N 27a_100000747261_100000162199 [0,2,0,0,0,0|2,0,0]=4 4782 B14R1.623 CCOC(C)c1ccccc1[N+](=O)[O-] 7a_100000246502_100000210202 [0,2,0,0,0,0|2,0,0]=4 4783 B14R1.623 CN(CC#N)c1ccccc1C(=O)N 269982a_100000184419_100011214920 [0,2,0,0,0,0|1,0,1]=4 4784 B14R1.623 CN(CC=O)c1ccccc1C(=O)N 269982a_100000184419_200015260668 [0,2,0,0,0,0|1,0,1]=4 4785 B14R1.623 CN(CCF)c1ccccc1C(=O)N 269982a_100000184419_100011217306 [0,2,0,0,0,0|1,0,0]=3 4786 B14R1.623 CN(CCO)c1ccccc1C(=O)N 269982a_100000184419_100000211926 [0,2,0,0,0,0|1,0,0]=3 4787 B14R1.623 CN(CCO)c1cccnc1C(=O)N 27a_100000210263_200012359670 [0,2,0,0,0,0|2,0,0]=4 4788 B14R1.623 CN(CCO)c1ccncc1C(=O)N 27a_100000210263_100000697804 [0,2,0,0,0,0|2,0,0]=4 4789 B14R1.623 CN(CCO)c1ncccc1C(=O)N 27a_100000210263_100000162199 [0,2,0,0,0,0|2,0,0]=4 4790 B14R1.623 COCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000766300 [0,2,0,0,0,0|1,0,0]=3 4791 B14R1.623 CSCN(C)c1ccccc1C(=O)N 269982a_100000184419_100011218213 [0,2,0,0,0,0|1,0,0]=3 4792 B14R1.903 C#CCCNc1ccccc1C(=O)N 34a_100000185089_100000688953 [0,2,0,0,0,0|1,0,0]=3 4793 B14R1.903 C#CCCNc1cccnc1C(=O)N 27a_100000755551_200012359670 [0,2,0,0,0,0|2,0,0]=4 4794 B14R1.903 C#CCCNc1ccncc1C(=O)N 27a_100000755551_100000697804 [0,2,0,0,0,0|2,0,0]=4 4795 B14R1.903 C#CCCNc1ncccc1C(=O)N 27a_100000755551_100000162199 [0,2,0,0,0,0|2,0,0]=4 4796 B14R1.903 C#CCCOc1ccccc1C(=O)N 34a_100000192804_100000688953 [0,2,0,0,0,0|0,0,0]=2 4797 B14R1.903 C#CCCOc1ccccc1C(=O)N 7a_100000192804_100000688953 [0,2,0,0,0,0|0,0,0]=2 4798 B14R1.903 C#CCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000688953 [0,2,0,0,0,0|1,0,0]=3 4799 B14R1.903 C#CCCOc1ccccc1C(=S)N 7a_100000745089_100000688953 [0,2,0,0,0,0|0,1,0]=3 4800 B14R1.903 C#CCCOc1ccccc1[C@@H](C)N 34a_100025703389_100000688953 [0,2,0,0,0,0|1,0,1]=4 4801 B14R1.903 C#CCCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000688953 [0,2,0,0,0,0|2,0,0]=4 4802 B14R1.903 C#CCCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000688953 [0,2,0,0,0,0|2,0,0]=4 4803 B14R1.903 C#CCCOc1cccnc1C(=O)C 34a_100000087166_100000688953 [0,2,0,0,0,0|2,0,0]=4 4804 B14R1.903 C#CCCOc1cccnc1C(=O)C 7a_100000087166_100000688953 [0,2,0,0,0,0|2,0,0]=4 4805 B14R1.903 C#CCCOc1cccnc1C(=O)N 34a_200011215183_100000688953 [0,2,0,0,0,0|1,0,0]=3 4806 B14R1.903 C#CCCOc1cccnc1C(=O)N 7a_200011215183_100000688953 [0,2,0,0,0,0|1,0,0]=3 4807 B14R1.903 C#CCCOc1ccncc1C(=O)N 34a_200011998761_100000688953 [0,2,0,0,0,0|1,0,0]=3 4808 B14R1.903 C#CCCOc1cnccc1C(=O)C 7a_100009872882_100000688953 [0,2,0,0,0,0|2,0,0]=4 4809 B14R1.903 C#CCCOc1cnccc1C(=O)N 7a_100012022987_100000688953 [0,2,0,0,0,0|1,0,0]=3 4810 B14R1.903 C#CCCOc1nccnc1C(=O)N 34a_100011830332_100000688953 [0,2,0,0,0,0|2,0,0]=4 4811 B14R1.903 C#CCCSc1ccccc1C(=O)C 62a_100000751169_100000688953 [0,2,0,0,0,0|1,1,0]=4 4812 B14R1.903 C#CCCSc1ccccc1C(=O)N 62a_100000162227_100000688953 [0,2,0,0,0,0|0,1,0]=3 4813 B14R1.903 C#CCCSc1ccccc1C(=O)N 62a_100000688953_100000162227 [0,2,0,0,0,0|0,1,0]=3 4814 B14R1.903 C#CCCSc1ccccc1C(=O)O 62a_100000688953_100000734275 [0,2,0,0,0,0|1,1,0]=4 4815 B14R1.903 C#CCCSc1ccccc1C(=O)O 62a_202125556159_100000688953 [0,2,0,0,0,0|1,1,0]=4 4816 B14R1.903 C#CCCSc1cccnc1C(=O)N 62a_100000688953_200012359670 [0,2,0,0,0,0|1,1,0]=4 4817 B14R1.903 C#CCCSc1cccnc1C(=O)N 62a_200012359670_100000688953 [0,2,0,0,0,0|1,1,0]=4 4818 B14R1.903 C#CCCSc1ccncc1C(=O)N 62a_100000688953_100000697804 [0,2,0,0,0,0|1,1,0]=4 4819 B14R1.903 C#CCCSc1ccncc1C(=O)N 62a_100000697804_100000688953 [0,2,0,0,0,0|1,1,0]=4 4820 B14R1.903 C#CCCSc1cnccc1C(=O)N 62a_100000688953_100010205435 [0,2,0,0,0,0|1,1,0]=4 4821 B14R1.903 C#CCCSc1cnccc1C(=O)N 62a_100010205435_100000688953 [0,2,0,0,0,0|1,1,0]=4 4822 B14R1.903 C#CCCSc1ncccc1C(=O)N 62a_100000162199_100000688953 [0,2,0,0,0,0|1,1,0]=4 4823 B14R1.903 C#CCCSc1ncccc1C(=O)N 62a_100000688953_100000162199 [0,2,0,0,0,0|1,1,0]=4 4824 B14R1.903 C/C=C/CNc1ccccc1C(=O)N 34a_100000185089_100102629194 [0,2,0,0,0,0|1,0,0]=3 4825 B14R1.903 C/C=C/COc1ccccc1C(=O)N 34a_100000192804_100102629194 [0,2,0,0,0,0|0,0,0]=2 4826 B14R1.903 C/C=C/COc1ccccc1C(=O)N 7a_100000192804_100102629194 [0,2,0,0,0,0|0,0,0]=2 4827 B14R1.903 C/C=C/COc1ccccc1C(=O)[O-] 7a_100015234032_100102629194 [0,2,0,0,0,0|1,0,0]=3 4828 B14R1.903 C/C=C/COc1ccccc1C(=S)N 7a_100000745089_100102629194 [0,2,0,0,0,0|0,1,0]=3 4829 B14R1.903 C/C=C/COc1ccccc1[C@@H](C)N 34a_100025703389_100102629194 [0,2,0,0,0,0|1,0,1]=4 4830 B14R1.903 C/C=C/COc1ccccc1[N+](=O)[O-] 34a_100000186319_100102629194 [0,2,0,0,0,0|2,0,0]=4 4831 B14R1.903 C/C=C/COc1ccccc1[N+](=O)[O-] 7a_100000186319_100102629194 [0,2,0,0,0,0|2,0,0]=4 4832 B14R1.903 C/C=C/COc1cccnc1C(=O)C 34a_100000087166_100102629194 [0,2,0,0,0,0|2,0,0]=4 4833 B14R1.903 C/C=C/COc1cccnc1C(=O)C 7a_100000087166_100102629194 [0,2,0,0,0,0|2,0,0]=4 4834 B14R1.903 C/C=C/COc1cccnc1C(=O)N 34a_200011215183_100102629194 [0,2,0,0,0,0|1,0,0]=3 4835 B14R1.903 C/C=C/COc1cccnc1C(=O)N 7a_200011215183_100102629194 [0,2,0,0,0,0|1,0,0]=3 4836 B14R1.903 C/C=C/COc1ccncc1C(=O)N 34a_200011998761_100102629194 [0,2,0,0,0,0|1,0,0]=3 4837 B14R1.903 C/C=C/COc1cnccc1C(=O)C 7a_100009872882_100102629194 [0,2,0,0,0,0|2,0,0]=4 4838 B14R1.903 C/C=C/COc1cnccc1C(=O)N 7a_100012022987_100102629194 [0,2,0,0,0,0|1,0,0]=3 4839 B14R1.903 C/C=C/COc1nccnc1C(=O)N 34a_100011830332_100102629194 [0,2,0,0,0,0|2,0,0]=4 4840 B14R1.903 C/C=C/CSc1ccccc1C(=O)C 62a_100000751169_100102629194 [0,2,0,0,0,0|1,1,0]=4 4841 B14R1.903 C/C=C/CSc1ccccc1C(=O)N 62a_100000162227_100102629194 [0,2,0,0,0,0|0,1,0]=3 4842 B14R1.903 C/C=C/CSc1ccccc1C(=O)N 62a_100102629194_100000162227 [0,2,0,0,0,0|0,1,0]=3 4843 B14R1.903 C/C=C/CSc1ccccc1C(=O)O 62a_100102629194_100000734275 [0,2,0,0,0,0|1,1,0]=4 4844 B14R1.903 C/C=C/CSc1ccccc1C(=O)O 62a_202125556159_100102629194 [0,2,0,0,0,0|1,1,0]=4 4845 B14R1.903 C/C=C/CSc1cccnc1C(=O)N 62a_100102629194_200012359670 [0,2,0,0,0,0|1,1,0]=4 4846 B14R1.903 C/C=C/CSc1cccnc1C(=O)N 62a_200012359670_100102629194 [0,2,0,0,0,0|1,1,0]=4 4847 B14R1.903 C/C=C/CSc1ccncc1C(=O)N 62a_100000697804_100102629194 [0,2,0,0,0,0|1,1,0]=4 4848 B14R1.903 C/C=C/CSc1ccncc1C(=O)N 62a_100102629194_100000697804 [0,2,0,0,0,0|1,1,0]=4 4849 B14R1.903 C/C=C/CSc1cnccc1C(=O)N 62a_100010205435_100102629194 [0,2,0,0,0,0|1,1,0]=4 4850 B14R1.903 C/C=C/CSc1cnccc1C(=O)N 62a_100102629194_100010205435 [0,2,0,0,0,0|1,1,0]=4 4851 B14R1.903 C/C=C/CSc1ncccc1C(=O)N 62a_100000162199_100102629194 [0,2,0,0,0,0|1,1,0]=4 4852 B14R1.903 C/C=C/CSc1ncccc1C(=O)N 62a_100102629194_100000162199 [0,2,0,0,0,0|1,1,0]=4 4853 B14R1.903 C=C(C)c1ccccc1OCCCC 271570a_100000694244_100000230755 [0,2,0,0,0,0|2,0,0]=4 4854 B14R1.903 C=C(C)c1ccccc1OCCOC 271570a_100000694244_100000234100 [0,2,0,0,0,0|2,0,0]=4 4855 B14R1.903 C=CCCNc1ccccc1C(=O)N 34a_100000185089_100000754431 [0,2,0,0,0,0|1,0,0]=3 4856 B14R1.903 C=CCCNc1cccnc1C(=O)N 27a_100015191253_200012359670 [0,2,0,0,0,0|2,0,0]=4 4857 B14R1.903 C=CCCNc1ccncc1C(=O)N 27a_100015191253_100000697804 [0,2,0,0,0,0|2,0,0]=4 4858 B14R1.903 C=CCCNc1ncccc1C(=O)N 27a_100015191253_100000162199 [0,2,0,0,0,0|2,0,0]=4 4859 B14R1.903 C=CCCOc1ccccc1C(=O)N 34a_100000192804_100000754431 [0,2,0,0,0,0|0,0,0]=2 4860 B14R1.903 C=CCCOc1ccccc1C(=O)N 7a_100000192804_100000754431 [0,2,0,0,0,0|0,0,0]=2 4861 B14R1.903 C=CCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000754431 [0,2,0,0,0,0|1,0,0]=3 4862 B14R1.903 C=CCCOc1ccccc1C(=S)N 7a_100000745089_100000754431 [0,2,0,0,0,0|0,1,0]=3 4863 B14R1.903 C=CCCOc1ccccc1[C@@H](C)N 34a_100025703389_100000754431 [0,2,0,0,0,0|1,0,1]=4 4864 B14R1.903 C=CCCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000754431 [0,2,0,0,0,0|2,0,0]=4 4865 B14R1.903 C=CCCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000754431 [0,2,0,0,0,0|2,0,0]=4 4866 B14R1.903 C=CCCOc1cccnc1C(=O)C 34a_100000087166_100000754431 [0,2,0,0,0,0|2,0,0]=4 4867 B14R1.903 C=CCCOc1cccnc1C(=O)C 7a_100000087166_100000754431 [0,2,0,0,0,0|2,0,0]=4 4868 B14R1.903 C=CCCOc1cccnc1C(=O)N 34a_200011215183_100000754431 [0,2,0,0,0,0|1,0,0]=3 4869 B14R1.903 C=CCCOc1cccnc1C(=O)N 7a_200011215183_100000754431 [0,2,0,0,0,0|1,0,0]=3 4870 B14R1.903 C=CCCOc1ccncc1C(=O)N 34a_200011998761_100000754431 [0,2,0,0,0,0|1,0,0]=3 4871 B14R1.903 C=CCCOc1cnccc1C(=O)C 7a_100009872882_100000754431 [0,2,0,0,0,0|2,0,0]=4 4872 B14R1.903 C=CCCOc1cnccc1C(=O)N 7a_100012022987_100000754431 [0,2,0,0,0,0|1,0,0]=3 4873 B14R1.903 C=CCCOc1nccnc1C(=O)N 34a_100011830332_100000754431 [0,2,0,0,0,0|2,0,0]=4 4874 B14R1.903 C=CCCSc1ccccc1C(=O)C 62a_100000751169_100000754431 [0,2,0,0,0,0|1,1,0]=4 4875 B14R1.903 C=CCCSc1ccccc1C(=O)N 62a_100000162227_100000754431 [0,2,0,0,0,0|0,1,0]=3 4876 B14R1.903 C=CCCSc1ccccc1C(=O)N 62a_100000754431_100000162227 [0,2,0,0,0,0|0,1,0]=3 4877 B14R1.903 C=CCCSc1ccccc1C(=O)O 62a_100000754431_100000734275 [0,2,0,0,0,0|1,1,0]=4 4878 B14R1.903 C=CCCSc1ccccc1C(=O)O 62a_202125556159_100000754431 [0,2,0,0,0,0|1,1,0]=4 4879 B14R1.903 C=CCCSc1cccnc1C(=O)N 62a_100000754431_200012359670 [0,2,0,0,0,0|1,1,0]=4 4880 B14R1.903 C=CCCSc1cccnc1C(=O)N 62a_200012359670_100000754431 [0,2,0,0,0,0|1,1,0]=4 4881 B14R1.903 C=CCCSc1ccncc1C(=O)N 62a_100000697804_100000754431 [0,2,0,0,0,0|1,1,0]=4 4882 B14R1.903 C=CCCSc1ccncc1C(=O)N 62a_100000754431_100000697804 [0,2,0,0,0,0|1,1,0]=4 4883 B14R1.903 C=CCCSc1cnccc1C(=O)N 62a_100000754431_100010205435 [0,2,0,0,0,0|1,1,0]=4 4884 B14R1.903 C=CCCSc1cnccc1C(=O)N 62a_100010205435_100000754431 [0,2,0,0,0,0|1,1,0]=4 4885 B14R1.903 C=CCCSc1ncccc1C(=O)N 62a_100000162199_100000754431 [0,2,0,0,0,0|1,1,0]=4 4886 B14R1.903 C=CCCSc1ncccc1C(=O)N 62a_100000754431_100000162199 [0,2,0,0,0,0|1,1,0]=4 4887 B14R1.903 CC#CCNc1ccccc1C(=O)N 34a_100000185089_100000748600 [0,2,0,0,0,0|1,0,0]=3 4888 B14R1.903 CC#CCNc1cccnc1C(=O)N 27a_100000685387_200012359670 [0,2,0,0,0,0|2,0,0]=4 4889 B14R1.903 CC#CCNc1ccncc1C(=O)N 27a_100000685387_100000697804 [0,2,0,0,0,0|2,0,0]=4 4890 B14R1.903 CC#CCNc1ncccc1C(=O)N 27a_100000685387_100000162199 [0,2,0,0,0,0|2,0,0]=4 4891 B14R1.903 CC#CCOc1ccccc1C(=O)N 34a_100000192804_100000748600 [0,2,0,0,0,0|0,0,0]=2 4892 B14R1.903 CC#CCOc1ccccc1C(=O)N 7a_100000192804_100000748600 [0,2,0,0,0,0|0,0,0]=2 4893 B14R1.903 CC#CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000748600 [0,2,0,0,0,0|1,0,0]=3 4894 B14R1.903 CC#CCOc1ccccc1C(=S)N 7a_100000745089_100000748600 [0,2,0,0,0,0|0,1,0]=3 4895 B14R1.903 CC#CCOc1ccccc1[C@@H](C)N 34a_100025703389_100000748600 [0,2,0,0,0,0|1,0,1]=4 4896 B14R1.903 CC#CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000748600 [0,2,0,0,0,0|2,0,0]=4 4897 B14R1.903 CC#CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000748600 [0,2,0,0,0,0|2,0,0]=4 4898 B14R1.903 CC#CCOc1cccnc1C(=O)C 34a_100000087166_100000748600 [0,2,0,0,0,0|2,0,0]=4 4899 B14R1.903 CC#CCOc1cccnc1C(=O)C 7a_100000087166_100000748600 [0,2,0,0,0,0|2,0,0]=4 4900 B14R1.903 CC#CCOc1cccnc1C(=O)N 34a_200011215183_100000748600 [0,2,0,0,0,0|1,0,0]=3 4901 B14R1.903 CC#CCOc1cccnc1C(=O)N 7a_200011215183_100000748600 [0,2,0,0,0,0|1,0,0]=3 4902 B14R1.903 CC#CCOc1ccncc1C(=O)N 34a_200011998761_100000748600 [0,2,0,0,0,0|1,0,0]=3 4903 B14R1.903 CC#CCOc1cnccc1C(=O)C 7a_100009872882_100000748600 [0,2,0,0,0,0|2,0,0]=4 4904 B14R1.903 CC#CCOc1cnccc1C(=O)N 7a_100012022987_100000748600 [0,2,0,0,0,0|1,0,0]=3 4905 B14R1.903 CC#CCOc1nccnc1C(=O)N 34a_100011830332_100000748600 [0,2,0,0,0,0|2,0,0]=4 4906 B14R1.903 CC#CCSc1ccccc1C(=O)C 62a_100000751169_100000748600 [0,2,0,0,0,0|1,1,0]=4 4907 B14R1.903 CC#CCSc1ccccc1C(=O)N 62a_100000162227_100000748600 [0,2,0,0,0,0|0,1,0]=3 4908 B14R1.903 CC#CCSc1ccccc1C(=O)N 62a_100000748600_100000162227 [0,2,0,0,0,0|0,1,0]=3 4909 B14R1.903 CC#CCSc1ccccc1C(=O)O 62a_100000748600_100000734275 [0,2,0,0,0,0|1,1,0]=4 4910 B14R1.903 CC#CCSc1ccccc1C(=O)O 62a_202125556159_100000748600 [0,2,0,0,0,0|1,1,0]=4 4911 B14R1.903 CC#CCSc1cccnc1C(=O)N 62a_100000748600_200012359670 [0,2,0,0,0,0|1,1,0]=4 4912 B14R1.903 CC#CCSc1cccnc1C(=O)N 62a_200012359670_100000748600 [0,2,0,0,0,0|1,1,0]=4 4913 B14R1.903 CC#CCSc1ccncc1C(=O)N 62a_100000697804_100000748600 [0,2,0,0,0,0|1,1,0]=4 4914 B14R1.903 CC#CCSc1ccncc1C(=O)N 62a_100000748600_100000697804 [0,2,0,0,0,0|1,1,0]=4 4915 B14R1.903 CC#CCSc1cnccc1C(=O)N 62a_100000748600_100010205435 [0,2,0,0,0,0|1,1,0]=4 4916 B14R1.903 CC#CCSc1cnccc1C(=O)N 62a_100010205435_100000748600 [0,2,0,0,0,0|1,1,0]=4 4917 B14R1.903 CC#CCSc1ncccc1C(=O)N 62a_100000162199_100000748600 [0,2,0,0,0,0|1,1,0]=4 4918 B14R1.903 CC#CCSc1ncccc1C(=O)N 62a_100000748600_100000162199 [0,2,0,0,0,0|1,1,0]=4 4919 B14R1.903 CC(=O)c1ccccc1OCCS[13CH3] 62a_100000184561_200025704644 [0,2,0,0,0,0|1,0,0]=3 4920 B14R1.903 CC(=O)c1ccccc1OCCS[13CH3] 62a_200025704644_100000184561 [0,2,0,0,0,0|1,0,0]=3 4921 B14R1.903 CC(=O)c1ccccc1SCCC#N 62a_100000751169_100011215226 [0,2,0,0,0,0|1,1,0]=4 4922 B14R1.903 CC(=O)c1ccccc1SCCCF 62a_100000751169_100011934791 [0,2,0,0,0,0|1,1,0]=4 4923 B14R1.903 CC(=O)c1ccccc1SCCCO 62a_100000751169_100011215043 [0,2,0,0,0,0|1,1,0]=4 4924 B14R1.903 CC(=O)c1ccncc1OCCC#N 7a_100009872882_100000184422 [0,2,0,0,0,0|2,0,0]=4 4925 B14R1.903 CC(=O)c1ccncc1OCCCF 7a_100009872882_100011934791 [0,2,0,0,0,0|2,0,0]=4 4926 B14R1.903 CC(=O)c1ccncc1OCCCO 7a_100009872882_100011215043 [0,2,0,0,0,0|2,0,0]=4 4927 B14R1.903 CC(=O)c1ncccc1OCCC#N 7a_100000087166_100000184422 [0,2,0,0,0,0|2,0,0]=4 4928 B14R1.903 CC(=O)c1ncccc1OCCCF 34a_100000087166_100011934791 [0,2,0,0,0,0|2,0,0]=4 4929 B14R1.903 CC(=O)c1ncccc1OCCCF 7a_100000087166_100011934791 [0,2,0,0,0,0|2,0,0]=4 4930 B14R1.903 CC(=O)c1ncccc1OCCCO 34a_100000087166_100000230001 [0,2,0,0,0,0|2,0,0]=4 4931 B14R1.903 CC(=O)c1ncccc1OCCCO 7a_100000087166_100011215043 [0,2,0,0,0,0|2,0,0]=4 4932 B14R1.903 CC=CCNc1ccccc1C(=O)N 34a_100000185089_100000070051 [0,2,0,0,0,0|1,0,0]=3 4933 B14R1.903 CC=CCOc1ccccc1C(=O)N 34a_100000192804_100000070051 [0,2,0,0,0,0|0,0,0]=2 4934 B14R1.903 CC=CCOc1ccccc1C(=O)N 7a_100000192804_100000070051 [0,2,0,0,0,0|0,0,0]=2 4935 B14R1.903 CC=CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000070051 [0,2,0,0,0,0|1,0,0]=3 4936 B14R1.903 CC=CCOc1ccccc1C(=S)N 7a_100000745089_100000070051 [0,2,0,0,0,0|0,1,0]=3 4937 B14R1.903 CC=CCOc1ccccc1[C@@H](C)N 34a_100025703389_100000070051 [0,2,0,0,0,0|1,0,1]=4 4938 B14R1.903 CC=CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000070051 [0,2,0,0,0,0|2,0,0]=4 4939 B14R1.903 CC=CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000070051 [0,2,0,0,0,0|2,0,0]=4 4940 B14R1.903 CC=CCOc1cccnc1C(=O)C 34a_100000087166_100000070051 [0,2,0,0,0,0|2,0,0]=4 4941 B14R1.903 CC=CCOc1cccnc1C(=O)C 7a_100000087166_100000070051 [0,2,0,0,0,0|2,0,0]=4 4942 B14R1.903 CC=CCOc1cccnc1C(=O)N 34a_200011215183_100000070051 [0,2,0,0,0,0|1,0,0]=3 4943 B14R1.903 CC=CCOc1cccnc1C(=O)N 7a_200011215183_100000070051 [0,2,0,0,0,0|1,0,0]=3 4944 B14R1.903 CC=CCOc1ccncc1C(=O)N 34a_200011998761_100000070051 [0,2,0,0,0,0|1,0,0]=3 4945 B14R1.903 CC=CCOc1cnccc1C(=O)C 7a_100009872882_100000070051 [0,2,0,0,0,0|2,0,0]=4 4946 B14R1.903 CC=CCOc1cnccc1C(=O)N 7a_100012022987_100000070051 [0,2,0,0,0,0|1,0,0]=3 4947 B14R1.903 CC=CCOc1nccnc1C(=O)N 34a_100011830332_100000070051 [0,2,0,0,0,0|2,0,0]=4 4948 B14R1.903 CC=CCSc1ccccc1C(=O)C 62a_100000751169_100000070051 [0,2,0,0,0,0|1,1,0]=4 4949 B14R1.903 CC=CCSc1ccccc1C(=O)N 62a_100000070051_100000162227 [0,2,0,0,0,0|0,1,0]=3 4950 B14R1.903 CC=CCSc1ccccc1C(=O)N 62a_100000162227_100000070051 [0,2,0,0,0,0|0,1,0]=3 4951 B14R1.903 CC=CCSc1ccccc1C(=O)O 62a_100000070051_100000734275 [0,2,0,0,0,0|1,1,0]=4 4952 B14R1.903 CC=CCSc1ccccc1C(=O)O 62a_202125556159_100000070051 [0,2,0,0,0,0|1,1,0]=4 4953 B14R1.903 CC=CCSc1cccnc1C(=O)N 62a_100000070051_200012359670 [0,2,0,0,0,0|1,1,0]=4 4954 B14R1.903 CC=CCSc1cccnc1C(=O)N 62a_200012359670_100000070051 [0,2,0,0,0,0|1,1,0]=4 4955 B14R1.903 CC=CCSc1ccncc1C(=O)N 62a_100000070051_100000697804 [0,2,0,0,0,0|1,1,0]=4 4956 B14R1.903 CC=CCSc1ccncc1C(=O)N 62a_100000697804_100000070051 [0,2,0,0,0,0|1,1,0]=4 4957 B14R1.903 CC=CCSc1cnccc1C(=O)N 62a_100000070051_100010205435 [0,2,0,0,0,0|1,1,0]=4 4958 B14R1.903 CC=CCSc1cnccc1C(=O)N 62a_100010205435_100000070051 [0,2,0,0,0,0|1,1,0]=4 4959 B14R1.903 CC=CCSc1ncccc1C(=O)N 62a_100000070051_100000162199 [0,2,0,0,0,0|1,1,0]=4 4960 B14R1.903 CC=CCSc1ncccc1C(=O)N 62a_100000162199_100000070051 [0,2,0,0,0,0|1,1,0]=4 4961 B14R1.903 CCCC=Cc1ccccc1C(=O)C 271570a_100016258520_100000751169 [0,2,0,0,0,0|2,0,0]=4 4962 B14R1.903 CCCC=Cc1ccccc1C(=O)N 271570a_100016258520_100000162227 [0,2,0,0,0,0|1,0,0]=3 4963 B14R1.903 CCCC=Cc1cccnc1C(=O)N 271570a_100016258520_200012359670 [0,2,0,0,0,0|2,0,0]=4 4964 B14R1.903 CCCC=Cc1ccncc1C(=O)N 271570a_100016258520_100000697804 [0,2,0,0,0,0|2,0,0]=4 4965 B14R1.903 CCCC=Cc1cnccc1C(=O)N 271570a_100016258520_100010205435 [0,2,0,0,0,0|2,0,0]=4 4966 B14R1.903 CCCC=Cc1ncccc1C(=O)N 271570a_100016258520_100000162199 [0,2,0,0,0,0|2,0,0]=4 4967 B14R1.903 CCCCNc1ccccc1C(=O)N 34a_100000185089_100000210210 [0,2,0,0,0,0|1,0,0]=3 4968 B14R1.903 CCCCNc1cccnc1C(=O)N 27a_100000102301_200012359670 [0,2,0,0,0,0|2,0,0]=4 4969 B14R1.903 CCCCNc1ccncc1C(=O)N 27a_100000102301_100000697804 [0,2,0,0,0,0|2,0,0]=4 4970 B14R1.903 CCCCNc1ncccc1C(=O)N 27a_100000102301_100000162199 [0,2,0,0,0,0|2,0,0]=4 4971 B14R1.903 CCCCOc1ccccc1C(=O)C 1458a_100000215687_200000210301 [0,2,0,0,0,0|1,0,0]=3 4972 B14R1.903 CCCCOc1ccccc1C(=O)N 34a_100000192804_100000210210 [0,2,0,0,0,0|0,0,0]=2 4973 B14R1.903 CCCCOc1ccccc1C(=O)N 7a_100000192804_100000210211 [0,2,0,0,0,0|0,0,0]=2 4974 B14R1.903 CCCCOc1ccccc1C(=O)[13CH3] 1458a_100000215687_200025704644 [0,2,0,0,0,0|1,0,0]=3 4975 B14R1.903 CCCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210211 [0,2,0,0,0,0|1,0,0]=3 4976 B14R1.903 CCCCOc1ccccc1C(=S)N 7a_100000745089_100000210211 [0,2,0,0,0,0|0,1,0]=3 4977 B14R1.903 CCCCOc1ccccc1[C@@H](C)N 34a_100025703389_100000210210 [0,2,0,0,0,0|1,0,1]=4 4978 B14R1.903 CCCCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210210 [0,2,0,0,0,0|2,0,0]=4 4979 B14R1.903 CCCCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210211 [0,2,0,0,0,0|2,0,0]=4 4980 B14R1.903 CCCCOc1cccnc1C(=O)C 34a_100000087166_100000210210 [0,2,0,0,0,0|2,0,0]=4 4981 B14R1.903 CCCCOc1cccnc1C(=O)C 7a_100000087166_100000210211 [0,2,0,0,0,0|2,0,0]=4 4982 B14R1.903 CCCCOc1cccnc1C(=O)N 34a_200011215183_100000210210 [0,2,0,0,0,0|1,0,0]=3 4983 B14R1.903 CCCCOc1cccnc1C(=O)N 7a_200011215183_100000210211 [0,2,0,0,0,0|1,0,0]=3 4984 B14R1.903 CCCCOc1ccncc1C(=O)N 34a_200011998761_100000210210 [0,2,0,0,0,0|1,0,0]=3 4985 B14R1.903 CCCCOc1cnccc1C(=O)C 7a_100009872882_100000210211 [0,2,0,0,0,0|2,0,0]=4 4986 B14R1.903 CCCCOc1cnccc1C(=O)N 7a_100012022987_100000210211 [0,2,0,0,0,0|1,0,0]=3 4987 B14R1.903 CCCCOc1nccnc1C(=O)N 34a_100011830332_100000210210 [0,2,0,0,0,0|2,0,0]=4 4988 B14R1.903 CCCCSc1ccccc1C(=O)C 1458a_200000217314_200000210301 [0,2,0,0,0,0|1,1,0]=4 4989 B14R1.903 CCCCSc1ccccc1C(=O)C 62a_100000751169_100000210210 [0,2,0,0,0,0|1,1,0]=4 4990 B14R1.903 CCCCSc1ccccc1C(=O)N 62a_100000162227_100000210210 [0,2,0,0,0,0|0,1,0]=3 4991 B14R1.903 CCCCSc1ccccc1C(=O)N 62a_100000210211_100000162227 [0,2,0,0,0,0|0,1,0]=3 4992 B14R1.903 CCCCSc1ccccc1C(=O)O 62a_100000210211_100000734275 [0,2,0,0,0,0|1,1,0]=4 4993 B14R1.903 CCCCSc1ccccc1C(=O)O 62a_202125556159_100000210210 [0,2,0,0,0,0|1,1,0]=4 4994 B14R1.903 CCCCSc1ccccc1C(=O)[13CH3] 1458a_200000217314_200025704644 [0,2,0,0,0,0|1,1,0]=4 4995 B14R1.903 CCCCSc1cccnc1C(=O)N 62a_100000210211_200012359670 [0,2,0,0,0,0|1,1,0]=4 4996 B14R1.903 CCCCSc1cccnc1C(=O)N 62a_200012359670_100000210210 [0,2,0,0,0,0|1,1,0]=4 4997 B14R1.903 CCCCSc1ccncc1C(=O)N 62a_100000210211_100000697804 [0,2,0,0,0,0|1,1,0]=4 4998 B14R1.903 CCCCSc1ccncc1C(=O)N 62a_100000697804_100000210210 [0,2,0,0,0,0|1,1,0]=4 4999 B14R1.903 CCCCSc1cnccc1C(=O)N 62a_100000210211_100010205435 [0,2,0,0,0,0|1,1,0]=4 5000 B14R1.903 CCCCSc1cnccc1C(=O)N 62a_100010205435_100000210210 [0,2,0,0,0,0|1,1,0]=4 5001 B14R1.903 CCCCSc1ncccc1C(=O)N 62a_100000162199_100000210210 [0,2,0,0,0,0|1,1,0]=4 5002 B14R1.903 CCCCSc1ncccc1C(=O)N 62a_100000210211_100000162199 [0,2,0,0,0,0|1,1,0]=4 5003 B14R1.903 CCCNCc1ccccc1C(=O)O 269956a_100015183376_100000210207 [0,2,0,0,0,0|2,0,0]=4 5004 B14R1.903 CCCOCc1ccccc1[N+](=O)[O-] 34a_100000210258_100000181388 [0,2,0,0,0,0|2,0,0]=4 5005 B14R1.903 CCCOCc1ccccc1[N+](=O)[O-] 7a_100011218404_100000210303 [0,2,0,0,0,0|2,0,0]=4 5006 B14R1.903 CCOC=Cc1ccccc1C(=O)C 271570a_100016256518_100000751169 [0,2,0,0,0,0|1,0,0]=3 5007 B14R1.903 CCOC=Cc1ccccc1C(=O)N 271570a_100016256518_100000162227 [0,2,0,0,0,0|0,0,0]=2 5008 B14R1.903 CCOC=Cc1ccccc1C(C)N 271570a_100016256518_100000181357 [0,2,0,0,0,0|1,0,1]=4 5009 B14R1.903 CCOC=Cc1ccccc1S(=O)C 271570a_100016256518_100000734199 [0,2,0,0,0,0|2,0,0]=4 5010 B14R1.903 CCOC=Cc1cccnc1C(=O)C 271570a_100016256518_100012348690 [0,2,0,0,0,0|2,0,0]=4 5011 B14R1.903 CCOC=Cc1cccnc1C(=O)N 271570a_100016256518_200012359670 [0,2,0,0,0,0|1,0,0]=3 5012 B14R1.903 CCOC=Cc1ccncc1C(=O)C 271570a_100016256518_100160469449 [0,2,0,0,0,0|2,0,0]=4 5013 B14R1.903 CCOC=Cc1ccncc1C(=O)N 271570a_100016256518_100000697804 [0,2,0,0,0,0|1,0,0]=3 5014 B14R1.903 CCOC=Cc1cnccc1C(=O)C 271570a_100016256518_100009993184 [0,2,0,0,0,0|2,0,0]=4 5015 B14R1.903 CCOC=Cc1cnccc1C(=O)N 271570a_100016256518_100010205435 [0,2,0,0,0,0|1,0,0]=3 5016 B14R1.903 CCOC=Cc1ncccc1C(=O)C 271570a_100016256518_100000753718 [0,2,0,0,0,0|2,0,0]=4 5017 B14R1.903 CCOC=Cc1ncccc1C(=O)N 271570a_100016256518_100000162199 [0,2,0,0,0,0|1,0,0]=3 5018 B14R1.903 CCOC=Cc1nccnc1C(=O)N 271570a_100016256518_100000094861 [0,2,0,0,0,0|2,0,0]=4 5019 B14R1.903 CCOCCc1ccccc1[N+](=O)[O-] 34a_100000749287_100000210202 [0,2,0,0,0,0|2,0,0]=4 5020 B14R1.903 CCOCCc1ccccc1[N+](=O)[O-] 34a_100121572206_200011934512 [0,2,0,0,0,0|2,0,0]=4 5021 B14R1.903 CCOCCc1ccccc1[N+](=O)[O-] 7a_100000749287_100000210202 [0,2,0,0,0,0|2,0,0]=4 5022 B14R1.903 CCOCSc1ccccc1C(=O)C 62a_100000751169_100000739092 [0,2,0,0,0,0|1,0,0]=3 5023 B14R1.903 CCOCSc1ccccc1C(=O)N 62a_100000162227_100000739092 [0,2,0,0,0,0|0,0,0]=2 5024 B14R1.903 CCOCSc1ccccc1C(=O)N 62a_100000739092_100000162227 [0,2,0,0,0,0|0,0,0]=2 5025 B14R1.903 CCOCSc1ccccc1C(=O)O 62a_100000739092_100000734275 [0,2,0,0,0,0|1,0,0]=3 5026 B14R1.903 CCOCSc1ccccc1C(=O)O 62a_202125556159_100000739092 [0,2,0,0,0,0|1,0,0]=3 5027 B14R1.903 CCOCSc1ccccc1C(C)N 62a_100000181357_100000739092 [0,2,0,0,0,0|1,0,1]=4 5028 B14R1.903 CCOCSc1ccccc1C(C)N 62a_100000739092_100000181357 [0,2,0,0,0,0|1,0,1]=4 5029 B14R1.903 CCOCSc1ccccc1S(=O)C 62a_100000734199_100000739092 [0,2,0,0,0,0|2,0,0]=4 5030 B14R1.903 CCOCSc1cccnc1C(=O)C 62a_100000739092_100012348690 [0,2,0,0,0,0|2,0,0]=4 5031 B14R1.903 CCOCSc1cccnc1C(=O)C 62a_100012348690_100000739092 [0,2,0,0,0,0|2,0,0]=4 5032 B14R1.903 CCOCSc1cccnc1C(=O)N 62a_100000739092_200012359670 [0,2,0,0,0,0|1,0,0]=3 5033 B14R1.903 CCOCSc1cccnc1C(=O)N 62a_200012359670_100000739092 [0,2,0,0,0,0|1,0,0]=3 5034 B14R1.903 CCOCSc1ccncc1C(=O)C 62a_100000739092_100160469449 [0,2,0,0,0,0|2,0,0]=4 5035 B14R1.903 CCOCSc1ccncc1C(=O)C 62a_100160469449_100000739092 [0,2,0,0,0,0|2,0,0]=4 5036 B14R1.903 CCOCSc1ccncc1C(=O)N 62a_100000697804_100000739092 [0,2,0,0,0,0|1,0,0]=3 5037 B14R1.903 CCOCSc1ccncc1C(=O)N 62a_100000739092_100000697804 [0,2,0,0,0,0|1,0,0]=3 5038 B14R1.903 CCOCSc1cnccc1C(=O)C 62a_100000739092_100009993184 [0,2,0,0,0,0|2,0,0]=4 5039 B14R1.903 CCOCSc1cnccc1C(=O)C 62a_100009993184_100000739092 [0,2,0,0,0,0|2,0,0]=4 5040 B14R1.903 CCOCSc1cnccc1C(=O)N 62a_100000739092_100010205435 [0,2,0,0,0,0|1,0,0]=3 5041 B14R1.903 CCOCSc1cnccc1C(=O)N 62a_100010205435_100000739092 [0,2,0,0,0,0|1,0,0]=3 5042 B14R1.903 CCOCSc1ncccc1C(=O)C 62a_100000739092_100000753718 [0,2,0,0,0,0|2,0,0]=4 5043 B14R1.903 CCOCSc1ncccc1C(=O)C 62a_100000753718_100000739092 [0,2,0,0,0,0|2,0,0]=4 5044 B14R1.903 CCOCSc1ncccc1C(=O)N 62a_100000162199_100000739092 [0,2,0,0,0,0|1,0,0]=3 5045 B14R1.903 CCOCSc1ncccc1C(=O)N 62a_100000739092_100000162199 [0,2,0,0,0,0|1,0,0]=3 5046 B14R1.903 CCOCSc1nccnc1C(=O)N 62a_100000094861_100000739092 [0,2,0,0,0,0|2,0,0]=4 5047 B14R1.903 CCOCSc1nccnc1C(=O)N 62a_100000739092_100000094861 [0,2,0,0,0,0|2,0,0]=4 5048 B14R1.903 CNCCOc1ccccc1C(=O)C 2230a_106832991635_100000184561 [0,2,0,0,0,0|1,0,0]=3 5049 B14R1.903 CNCCOc1ccccc1C(=O)C 34a_100102657272_100000184561 [0,2,0,0,0,0|1,0,0]=3 5050 B14R1.903 CNCCOc1ccccc1C(=O)C 7a_106832991635_100000184561 [0,2,0,0,0,0|1,0,0]=3 5051 B14R1.903 CNCCOc1ccccc1[N+](=O)[O-] 2230a_100020586980_200000210301 [0,2,0,0,0,0|2,0,0]=4 5052 B14R1.903 CNCCOc1ccccc1[N+](=O)[O-] 2230a_106832991635_100000741959 [0,2,0,0,0,0|2,0,0]=4 5053 B14R1.903 CNCCOc1ccccc1[N+](=O)[O-] 34a_100102657272_100000741959 [0,2,0,0,0,0|2,0,0]=4 5054 B14R1.903 CNCCOc1ccccc1[N+](=O)[O-] 7a_106832991635_100000741959 [0,2,0,0,0,0|2,0,0]=4 5055 B14R1.903 COCC=Cc1ccccc1C(=O)C 271570a_100016286323_100000751169 [0,2,0,0,0,0|2,0,0]=4 5056 B14R1.903 COCC=Cc1ccccc1C(=O)N 271570a_100016286323_100000162227 [0,2,0,0,0,0|1,0,0]=3 5057 B14R1.903 COCC=Cc1cccnc1C(=O)N 271570a_100016286323_200012359670 [0,2,0,0,0,0|2,0,0]=4 5058 B14R1.903 COCC=Cc1ccncc1C(=O)N 271570a_100016286323_100000697804 [0,2,0,0,0,0|2,0,0]=4 5059 B14R1.903 COCC=Cc1cnccc1C(=O)N 271570a_100016286323_100010205435 [0,2,0,0,0,0|2,0,0]=4 5060 B14R1.903 COCC=Cc1ncccc1C(=O)N 271570a_100016286323_100000162199 [0,2,0,0,0,0|2,0,0]=4 5061 B14R1.903 COCCNc1ccccc1C(=O)N 34a_100000185089_100011201679 [0,2,0,0,0,0|1,0,0]=3 5062 B14R1.903 COCCNc1cccnc1C(=O)N 27a_100000209980_200012359670 [0,2,0,0,0,0|2,0,0]=4 5063 B14R1.903 COCCNc1ccncc1C(=O)N 27a_100000209980_100000697804 [0,2,0,0,0,0|2,0,0]=4 5064 B14R1.903 COCCNc1ncccc1C(=O)N 27a_100000209980_100000162199 [0,2,0,0,0,0|2,0,0]=4 5065 B14R1.903 COCCOc1ccccc1C(=O)C 1458a_100000244650_200000210301 [0,2,0,0,0,0|1,0,0]=3 5066 B14R1.903 COCCOc1ccccc1C(=O)C 34a_100138415774_100000184561 [0,2,0,0,0,0|1,0,0]=3 5067 B14R1.903 COCCOc1ccccc1C(=O)N 34a_100000192804_100011201679 [0,2,0,0,0,0|0,0,0]=2 5068 B14R1.903 COCCOc1ccccc1C(=O)N 7a_100000192804_100000233755 [0,2,0,0,0,0|0,0,0]=2 5069 B14R1.903 COCCOc1ccccc1C(=O)[13CH3] 1458a_100000244650_200025704644 [0,2,0,0,0,0|1,0,0]=3 5070 B14R1.903 COCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000233755 [0,2,0,0,0,0|1,0,0]=3 5071 B14R1.903 COCCOc1ccccc1C(=S)N 7a_100000745089_100000233755 [0,2,0,0,0,0|0,1,0]=3 5072 B14R1.903 COCCOc1ccccc1[C@@H](C)N 34a_100025703389_100011201679 [0,2,0,0,0,0|1,0,1]=4 5073 B14R1.903 COCCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100011201679 [0,2,0,0,0,0|2,0,0]=4 5074 B14R1.903 COCCOc1ccccc1[N+](=O)[O-] 34a_100138415774_100000741959 [0,2,0,0,0,0|2,0,0]=4 5075 B14R1.903 COCCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000233755 [0,2,0,0,0,0|2,0,0]=4 5076 B14R1.903 COCCOc1cccnc1C(=O)C 34a_100000087166_100011201679 [0,2,0,0,0,0|2,0,0]=4 5077 B14R1.903 COCCOc1cccnc1C(=O)C 7a_100000087166_100000233755 [0,2,0,0,0,0|2,0,0]=4 5078 B14R1.903 COCCOc1cccnc1C(=O)N 34a_200011215183_100011201679 [0,2,0,0,0,0|1,0,0]=3 5079 B14R1.903 COCCOc1cccnc1C(=O)N 7a_200011215183_100000233755 [0,2,0,0,0,0|1,0,0]=3 5080 B14R1.903 COCCOc1ccncc1C(=O)N 34a_200011998761_100011201679 [0,2,0,0,0,0|1,0,0]=3 5081 B14R1.903 COCCOc1cnccc1C(=O)C 7a_100009872882_100000233755 [0,2,0,0,0,0|2,0,0]=4 5082 B14R1.903 COCCOc1cnccc1C(=O)N 7a_100012022987_100000233755 [0,2,0,0,0,0|1,0,0]=3 5083 B14R1.903 COCCOc1nccnc1C(=O)N 34a_100011830332_100011201679 [0,2,0,0,0,0|2,0,0]=4 5084 B14R1.903 COCCSc1ccccc1C(=O)C 62a_100000751169_100000233755 [0,2,0,0,0,0|1,1,0]=4 5085 B14R1.903 COCCSc1ccccc1C(=O)N 62a_100000162227_100000233755 [0,2,0,0,0,0|0,1,0]=3 5086 B14R1.903 COCCSc1ccccc1C(=O)N 62a_100000233755_100000162227 [0,2,0,0,0,0|0,1,0]=3 5087 B14R1.903 COCCSc1ccccc1C(=O)O 62a_100000233755_100000734275 [0,2,0,0,0,0|1,1,0]=4 5088 B14R1.903 COCCSc1ccccc1C(=O)O 62a_202125556159_100000233755 [0,2,0,0,0,0|1,1,0]=4 5089 B14R1.903 COCCSc1cccnc1C(=O)N 62a_100000233755_200012359670 [0,2,0,0,0,0|1,1,0]=4 5090 B14R1.903 COCCSc1cccnc1C(=O)N 62a_200012359670_100000233755 [0,2,0,0,0,0|1,1,0]=4 5091 B14R1.903 COCCSc1ccncc1C(=O)N 62a_100000233755_100000697804 [0,2,0,0,0,0|1,1,0]=4 5092 B14R1.903 COCCSc1ccncc1C(=O)N 62a_100000697804_100000233755 [0,2,0,0,0,0|1,1,0]=4 5093 B14R1.903 COCCSc1cnccc1C(=O)N 62a_100000233755_100010205435 [0,2,0,0,0,0|1,1,0]=4 5094 B14R1.903 COCCSc1cnccc1C(=O)N 62a_100010205435_100000233755 [0,2,0,0,0,0|1,1,0]=4 5095 B14R1.903 COCCSc1ncccc1C(=O)N 62a_100000162199_100000233755 [0,2,0,0,0,0|1,1,0]=4 5096 B14R1.903 COCCSc1ncccc1C(=O)N 62a_100000233755_100000162199 [0,2,0,0,0,0|1,1,0]=4 5097 B14R1.903 COCNCc1ccccc1C(=O)O 269956a_100015183376_100000766300 [0,2,0,0,0,0|2,0,0]=4 5098 B14R1.903 CSCCNc1ccccc1C(=O)N 34a_100000185089_100000212216 [0,2,0,0,0,0|1,0,0]=3 5099 B14R1.903 CSCCNc1cccnc1C(=O)N 27a_100020590264_200012359670 [0,2,0,0,0,0|2,0,0]=4 5100 B14R1.903 CSCCNc1ccncc1C(=O)N 27a_100020590264_100000697804 [0,2,0,0,0,0|2,0,0]=4 5101 B14R1.903 CSCCNc1ncccc1C(=O)N 27a_100020590264_100000162199 [0,2,0,0,0,0|2,0,0]=4 5102 B14R1.903 CSCCOc1ccccc1C(=O)C 62a_100000184561_200000210301 [0,2,0,0,0,0|1,0,0]=3 5103 B14R1.903 CSCCOc1ccccc1C(=O)C 62a_200000210301_100000184561 [0,2,0,0,0,0|1,0,0]=3 5104 B14R1.903 CSCCOc1ccccc1C(=O)N 34a_100000192804_100000212216 [0,2,0,0,0,0|0,0,0]=2 5105 B14R1.903 CSCCOc1ccccc1C(=O)N 7a_100000192804_100000212216 [0,2,0,0,0,0|0,0,0]=2 5106 B14R1.903 CSCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000212216 [0,2,0,0,0,0|1,0,0]=3 5107 B14R1.903 CSCCOc1ccccc1C(=S)N 7a_100000745089_100000212216 [0,2,0,0,0,0|0,1,0]=3 5108 B14R1.903 CSCCOc1ccccc1[C@@H](C)N 34a_100025703389_100000212216 [0,2,0,0,0,0|1,0,1]=4 5109 B14R1.903 CSCCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000212216 [0,2,0,0,0,0|2,0,0]=4 5110 B14R1.903 CSCCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000212216 [0,2,0,0,0,0|2,0,0]=4 5111 B14R1.903 CSCCOc1cccnc1C(=O)C 34a_100000087166_100000212216 [0,2,0,0,0,0|2,0,0]=4 5112 B14R1.903 CSCCOc1cccnc1C(=O)C 7a_100000087166_100000212216 [0,2,0,0,0,0|2,0,0]=4 5113 B14R1.903 CSCCOc1cccnc1C(=O)N 34a_200011215183_100000212216 [0,2,0,0,0,0|1,0,0]=3 5114 B14R1.903 CSCCOc1cccnc1C(=O)N 7a_200011215183_100000212216 [0,2,0,0,0,0|1,0,0]=3 5115 B14R1.903 CSCCOc1ccncc1C(=O)N 34a_200011998761_100000212216 [0,2,0,0,0,0|1,0,0]=3 5116 B14R1.903 CSCCOc1cnccc1C(=O)C 7a_100009872882_100000212216 [0,2,0,0,0,0|2,0,0]=4 5117 B14R1.903 CSCCOc1cnccc1C(=O)N 7a_100012022987_100000212216 [0,2,0,0,0,0|1,0,0]=3 5118 B14R1.903 CSCCOc1nccnc1C(=O)N 34a_100011830332_100000212216 [0,2,0,0,0,0|2,0,0]=4 5119 B14R1.903 CSCCSc1ccccc1C(=O)C 62a_100000751169_100000751147 [0,2,0,0,0,0|1,1,0]=4 5120 B14R1.903 CSCCSc1ccccc1C(=O)N 62a_100000162227_100000751147 [0,2,0,0,0,0|0,1,0]=3 5121 B14R1.903 CSCCSc1ccccc1C(=O)N 62a_100000212216_100000162227 [0,2,0,0,0,0|0,1,0]=3 5122 B14R1.903 CSCCSc1ccccc1C(=O)O 62a_100000212216_100000734275 [0,2,0,0,0,0|1,1,0]=4 5123 B14R1.903 CSCCSc1ccccc1C(=O)O 62a_202125556159_100000751147 [0,2,0,0,0,0|1,1,0]=4 5124 B14R1.903 CSCCSc1cccnc1C(=O)N 62a_100000212216_200012359670 [0,2,0,0,0,0|1,1,0]=4 5125 B14R1.903 CSCCSc1cccnc1C(=O)N 62a_200012359670_100000751147 [0,2,0,0,0,0|1,1,0]=4 5126 B14R1.903 CSCCSc1ccncc1C(=O)N 62a_100000212216_100000697804 [0,2,0,0,0,0|1,1,0]=4 5127 B14R1.903 CSCCSc1ccncc1C(=O)N 62a_100000697804_100000751147 [0,2,0,0,0,0|1,1,0]=4 5128 B14R1.903 CSCCSc1cnccc1C(=O)N 62a_100000212216_100010205435 [0,2,0,0,0,0|1,1,0]=4 5129 B14R1.903 CSCCSc1cnccc1C(=O)N 62a_100010205435_100000751147 [0,2,0,0,0,0|1,1,0]=4 5130 B14R1.903 CSCCSc1ncccc1C(=O)N 62a_100000162199_100000751147 [0,2,0,0,0,0|1,1,0]=4 5131 B14R1.903 CSCCSc1ncccc1C(=O)N 62a_100000212216_100000162199 [0,2,0,0,0,0|1,1,0]=4 5132 B14R1.903 CSCNCc1ccccc1C(=O)O 269956a_100015183376_100011218213 [0,2,0,0,0,0|2,0,0]=4 5133 B14R1.903 C[C@@H](N)c1ccccc1OCCCF 34a_100025703389_100011934791 [0,2,0,0,0,0|1,0,1]=4 5134 B14R1.903 C[C@@H](N)c1ccccc1OCCCO 34a_100025703389_100000230001 [0,2,0,0,0,0|1,0,1]=4 5135 B14R1.903 N#CCCNc1cccnc1C(=O)N 27a_100000720768_200012359670 [0,2,0,0,0,0|2,0,0]=4 5136 B14R1.903 N#CCCNc1ccncc1C(=O)N 27a_100000720768_100000697804 [0,2,0,0,0,0|2,0,0]=4 5137 B14R1.903 N#CCCNc1ncccc1C(=O)N 27a_100000720768_100000162199 [0,2,0,0,0,0|2,0,0]=4 5138 B14R1.903 N#CCCOc1ccccc1C(=O)N 7a_100000192804_100000184422 [0,2,0,0,0,0|0,0,0]=2 5139 B14R1.903 N#CCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000184422 [0,2,0,0,0,0|1,0,0]=3 5140 B14R1.903 N#CCCOc1ccccc1C(=S)N 7a_100000745089_100000184422 [0,2,0,0,0,0|0,1,0]=3 5141 B14R1.903 N#CCCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000184422 [0,2,0,0,0,0|2,0,0]=4 5142 B14R1.903 N#CCCOc1cccnc1C(=O)N 7a_200011215183_100000184422 [0,2,0,0,0,0|1,0,0]=3 5143 B14R1.903 N#CCCOc1cnccc1C(=O)N 7a_100012022987_100000184422 [0,2,0,0,0,0|1,0,0]=3 5144 B14R1.903 N#CCCSc1ccccc1C(=O)N 62a_100000162227_100011215226 [0,2,0,0,0,0|0,1,0]=3 5145 B14R1.903 N#CCCSc1ccccc1C(=O)N 62a_100011215226_100000162227 [0,2,0,0,0,0|0,1,0]=3 5146 B14R1.903 N#CCCSc1ccccc1C(=O)O 62a_100011215226_100000734275 [0,2,0,0,0,0|1,1,0]=4 5147 B14R1.903 N#CCCSc1ccccc1C(=O)O 62a_202125556159_100011215226 [0,2,0,0,0,0|1,1,0]=4 5148 B14R1.903 N#CCCSc1cccnc1C(=O)N 62a_100011215226_200012359670 [0,2,0,0,0,0|1,1,0]=4 5149 B14R1.903 N#CCCSc1cccnc1C(=O)N 62a_200012359670_100011215226 [0,2,0,0,0,0|1,1,0]=4 5150 B14R1.903 N#CCCSc1ccncc1C(=O)N 62a_100000697804_100011215226 [0,2,0,0,0,0|1,1,0]=4 5151 B14R1.903 N#CCCSc1ccncc1C(=O)N 62a_100011215226_100000697804 [0,2,0,0,0,0|1,1,0]=4 5152 B14R1.903 N#CCCSc1cnccc1C(=O)N 62a_100010205435_100011215226 [0,2,0,0,0,0|1,1,0]=4 5153 B14R1.903 N#CCCSc1cnccc1C(=O)N 62a_100011215226_100010205435 [0,2,0,0,0,0|1,1,0]=4 5154 B14R1.903 N#CCCSc1ncccc1C(=O)N 62a_100000162199_100011215226 [0,2,0,0,0,0|1,1,0]=4 5155 B14R1.903 N#CCCSc1ncccc1C(=O)N 62a_100011215226_100000162199 [0,2,0,0,0,0|1,1,0]=4 5156 B14R1.903 N#CSCSc1ccccc1C(=O)N 62a_100000162227_100000211825 [0,2,0,0,0,0|0,1,1]=4 5157 B14R1.903 N#CSCSc1ccccc1C(=O)N 62a_100000211825_100000162227 [0,2,0,0,0,0|0,1,1]=4 5158 B14R1.903 NC(=O)c1ccccc1NCCCF 34a_100000185089_100011934791 [0,2,0,0,0,0|1,0,0]=3 5159 B14R1.903 NC(=O)c1ccccc1NCCCO 34a_100000185089_100000230001 [0,2,0,0,0,0|1,0,0]=3 5160 B14R1.903 NC(=O)c1ccccc1OCCCF 34a_100000192804_100011934791 [0,2,0,0,0,0|0,0,0]=2 5161 B14R1.903 NC(=O)c1ccccc1OCCCF 7a_100000192804_100011934791 [0,2,0,0,0,0|0,0,0]=2 5162 B14R1.903 NC(=O)c1ccccc1OCCCO 34a_100000192804_100000230001 [0,2,0,0,0,0|0,0,0]=2 5163 B14R1.903 NC(=O)c1ccccc1OCCCO 7a_100000192804_100011215043 [0,2,0,0,0,0|0,0,0]=2 5164 B14R1.903 NC(=O)c1ccccc1SCCCF 62a_100000162227_100011934791 [0,2,0,0,0,0|0,1,0]=3 5165 B14R1.903 NC(=O)c1ccccc1SCCCF 62a_100011934791_100000162227 [0,2,0,0,0,0|0,1,0]=3 5166 B14R1.903 NC(=O)c1ccccc1SCCCO 62a_100000162227_100011215043 [0,2,0,0,0,0|0,1,0]=3 5167 B14R1.903 NC(=O)c1ccccc1SCCCO 62a_100011215043_100000162227 [0,2,0,0,0,0|0,1,0]=3 5168 B14R1.903 NC(=O)c1cccnc1NCCCF 27a_100015189416_100000162199 [0,2,0,0,0,0|2,0,0]=4 5169 B14R1.903 NC(=O)c1cccnc1NCCCO 27a_100000182051_100000162199 [0,2,0,0,0,0|2,0,0]=4 5170 B14R1.903 NC(=O)c1cccnc1SCCCF 62a_100000162199_100011934791 [0,2,0,0,0,0|1,1,0]=4 5171 B14R1.903 NC(=O)c1cccnc1SCCCF 62a_100011934791_100000162199 [0,2,0,0,0,0|1,1,0]=4 5172 B14R1.903 NC(=O)c1cccnc1SCCCO 62a_100000162199_100011215043 [0,2,0,0,0,0|1,1,0]=4 5173 B14R1.903 NC(=O)c1cccnc1SCCCO 62a_100011215043_100000162199 [0,2,0,0,0,0|1,1,0]=4 5174 B14R1.903 NC(=O)c1ccncc1OCCCF 7a_100012022987_100011934791 [0,2,0,0,0,0|1,0,0]=3 5175 B14R1.903 NC(=O)c1ccncc1OCCCO 7a_100012022987_100011215043 [0,2,0,0,0,0|1,0,0]=3 5176 B14R1.903 NC(=O)c1ccncc1SCCCF 62a_100010205435_100011934791 [0,2,0,0,0,0|1,1,0]=4 5177 B14R1.903 NC(=O)c1ccncc1SCCCF 62a_100011934791_100010205435 [0,2,0,0,0,0|1,1,0]=4 5178 B14R1.903 NC(=O)c1ccncc1SCCCO 62a_100010205435_100011215043 [0,2,0,0,0,0|1,1,0]=4 5179 B14R1.903 NC(=O)c1ccncc1SCCCO 62a_100011215043_100010205435 [0,2,0,0,0,0|1,1,0]=4 5180 B14R1.903 NC(=O)c1cnccc1NCCCF 27a_100015189416_100000697804 [0,2,0,0,0,0|2,0,0]=4 5181 B14R1.903 NC(=O)c1cnccc1NCCCO 27a_100000182051_100000697804 [0,2,0,0,0,0|2,0,0]=4 5182 B14R1.903 NC(=O)c1cnccc1OCCCF 34a_200011998761_100011934791 [0,2,0,0,0,0|1,0,0]=3 5183 B14R1.903 NC(=O)c1cnccc1OCCCO 34a_200011998761_100000230001 [0,2,0,0,0,0|1,0,0]=3 5184 B14R1.903 NC(=O)c1cnccc1SCCCF 62a_100000697804_100011934791 [0,2,0,0,0,0|1,1,0]=4 5185 B14R1.903 NC(=O)c1cnccc1SCCCF 62a_100011934791_100000697804 [0,2,0,0,0,0|1,1,0]=4 5186 B14R1.903 NC(=O)c1cnccc1SCCCO 62a_100000697804_100011215043 [0,2,0,0,0,0|1,1,0]=4 5187 B14R1.903 NC(=O)c1cnccc1SCCCO 62a_100011215043_100000697804 [0,2,0,0,0,0|1,1,0]=4 5188 B14R1.903 NC(=O)c1ncccc1NCCCF 27a_100015189416_200012359670 [0,2,0,0,0,0|2,0,0]=4 5189 B14R1.903 NC(=O)c1ncccc1NCCCO 27a_100000182051_200012359670 [0,2,0,0,0,0|2,0,0]=4 5190 B14R1.903 NC(=O)c1ncccc1OCCCF 34a_200011215183_100011934791 [0,2,0,0,0,0|1,0,0]=3 5191 B14R1.903 NC(=O)c1ncccc1OCCCF 7a_200011215183_100011934791 [0,2,0,0,0,0|1,0,0]=3 5192 B14R1.903 NC(=O)c1ncccc1OCCCO 34a_200011215183_100000230001 [0,2,0,0,0,0|1,0,0]=3 5193 B14R1.903 NC(=O)c1ncccc1OCCCO 7a_200011215183_100011215043 [0,2,0,0,0,0|1,0,0]=3 5194 B14R1.903 NC(=O)c1ncccc1SCCCF 62a_100011934791_200012359670 [0,2,0,0,0,0|1,1,0]=4 5195 B14R1.903 NC(=O)c1ncccc1SCCCF 62a_200012359670_100011934791 [0,2,0,0,0,0|1,1,0]=4 5196 B14R1.903 NC(=O)c1ncccc1SCCCO 62a_100011215043_200012359670 [0,2,0,0,0,0|1,1,0]=4 5197 B14R1.903 NC(=O)c1ncccc1SCCCO 62a_200012359670_100011215043 [0,2,0,0,0,0|1,1,0]=4 5198 B14R1.903 NC(=O)c1nccnc1OCCCF 34a_100011830332_100011934791 [0,2,0,0,0,0|2,0,0]=4 5199 B14R1.903 NC(=O)c1nccnc1OCCCO 34a_100011830332_100000230001 [0,2,0,0,0,0|2,0,0]=4 5200 B14R1.903 NC(=S)c1ccccc1OCCCF 7a_100000745089_100011934791 [0,2,0,0,0,0|0,1,0]=3 5201 B14R1.903 NC(=S)c1ccccc1OCCCO 7a_100000745089_100011215043 [0,2,0,0,0,0|0,1,0]=3 5202 B14R1.903 NCCOCc1ccccc1[N+](=O)[O-] 34a_100000210304_100000181388 [0,2,0,0,0,0|2,0,0]=4 5203 B14R1.903 O=C(O)c1ccccc1CNCCF 269956a_100015183376_100011217306 [0,2,0,0,0,0|2,0,0]=4 5204 B14R1.903 O=C(O)c1ccccc1CNCCO 269956a_100015183376_100000211926 [0,2,0,0,0,0|2,0,0]=4 5205 B14R1.903 O=C(O)c1ccccc1SCCCF 62a_100011934791_100000734275 [0,2,0,0,0,0|1,1,0]=4 5206 B14R1.903 O=C(O)c1ccccc1SCCCF 62a_202125556159_100011934791 [0,2,0,0,0,0|1,1,0]=4 5207 B14R1.903 O=C(O)c1ccccc1SCCCO 62a_100011215043_100000734275 [0,2,0,0,0,0|1,1,0]=4 5208 B14R1.903 O=C(O)c1ccccc1SCCCO 62a_202125556159_100011215043 [0,2,0,0,0,0|1,1,0]=4 5209 B14R1.903 O=C([O-])c1ccccc1OCCCF 7a_100015234032_100011934791 [0,2,0,0,0,0|1,0,0]=3 5210 B14R1.903 O=C([O-])c1ccccc1OCCCO 7a_100015234032_100011215043 [0,2,0,0,0,0|1,0,0]=3 5211 B14R1.903 O=[N+]([O-])c1ccccc1COCCBr 34a_100000211926_100000181388 [0,2,0,0,0,0|2,0,0]=4 5212 B14R1.903 O=[N+]([O-])c1ccccc1COCCF 7a_100011218404_100011217306 [0,2,0,0,0,0|2,0,0]=4 5213 B14R1.903 O=[N+]([O-])c1ccccc1COCCO 7a_100011218404_100000211926 [0,2,0,0,0,0|2,0,0]=4 5214 B14R1.903 O=[N+]([O-])c1ccccc1OCCCF 34a_100000186319_100011934791 [0,2,0,0,0,0|2,0,0]=4 5215 B14R1.903 O=[N+]([O-])c1ccccc1OCCCF 7a_100000186319_100011934791 [0,2,0,0,0,0|2,0,0]=4 5216 B14R1.903 O=[N+]([O-])c1ccccc1OCCCO 34a_100000186319_100000230001 [0,2,0,0,0,0|2,0,0]=4 5217 B14R1.903 O=[N+]([O-])c1ccccc1OCCCO 7a_100000186319_100011215043 [0,2,0,0,0,0|2,0,0]=4 5218 B14R1.903 [13CH3]NCCOc1ccccc1[N+](=O)[O-] 2230a_100020586980_200025704644 [0,2,0,0,0,0|2,0,0]=4 5219 B14R1.3302 C#CC(C)Nc1ccccc1C(=O)N 34a_100000185089_200000035995 [0,2,0,0,0,0|1,0,0]=3 5220 B14R1.3302 C#CC(C)Nc1cccnc1C(=O)N 27a_100000707721_200012359670 [0,2,0,0,0,0|2,0,0]=4 5221 B14R1.3302 C#CC(C)Nc1ccncc1C(=O)N 27a_100000707721_100000697804 [0,2,0,0,0,0|2,0,0]=4 5222 B14R1.3302 C#CC(C)Nc1ncccc1C(=O)N 27a_100000707721_100000162199 [0,2,0,0,0,0|2,0,0]=4 5223 B14R1.3302 C#CC(C)Oc1ccccc1C(=O)N 34a_100000192804_200000035995 [0,2,0,0,0,0|0,0,0]=2 5224 B14R1.3302 C#CC(C)Oc1ccccc1[C@@H](C)N 34a_100025703389_200000035995 [0,2,0,0,0,0|1,0,1]=4 5225 B14R1.3302 C#CC(C)Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200000035995 [0,2,0,0,0,0|2,0,0]=4 5226 B14R1.3302 C#CC(C)Oc1cccnc1C(=O)C 34a_100000087166_200000035995 [0,2,0,0,0,0|2,0,0]=4 5227 B14R1.3302 C#CC(C)Oc1cccnc1C(=O)N 34a_200011215183_200000035995 [0,2,0,0,0,0|1,0,0]=3 5228 B14R1.3302 C#CC(C)Oc1ccncc1C(=O)N 34a_200011998761_200000035995 [0,2,0,0,0,0|1,0,0]=3 5229 B14R1.3302 C#CC(C)Oc1nccnc1C(=O)N 34a_100011830332_200000035995 [0,2,0,0,0,0|2,0,0]=4 5230 B14R1.3302 C#CC(C)Sc1ccccc1C(=O)N 62a_200000035995_100000162227 [0,2,0,0,0,0|0,1,0]=3 5231 B14R1.3302 C#CC(C)Sc1ccccc1C(=O)O 62a_200000035995_100000734275 [0,2,0,0,0,0|1,1,0]=4 5232 B14R1.3302 C#CC(C)Sc1cccnc1C(=O)N 62a_200000035995_200012359670 [0,2,0,0,0,0|1,1,0]=4 5233 B14R1.3302 C#CC(C)Sc1ccncc1C(=O)N 62a_200000035995_100000697804 [0,2,0,0,0,0|1,1,0]=4 5234 B14R1.3302 C#CC(C)Sc1cnccc1C(=O)N 62a_200000035995_100010205435 [0,2,0,0,0,0|1,1,0]=4 5235 B14R1.3302 C#CC(C)Sc1ncccc1C(=O)N 62a_200000035995_100000162199 [0,2,0,0,0,0|1,1,0]=4 5236 B14R1.3302 C=CC(C)Sc1ccccc1C(=O)N 62a_100011215867_100000162227 [0,2,0,0,0,0|0,1,0]=3 5237 B14R1.3302 C=CC(C)Sc1ccccc1C(=O)O 62a_100011215867_100000734275 [0,2,0,0,0,0|1,1,0]=4 5238 B14R1.3302 C=CC(C)Sc1cccnc1C(=O)N 62a_100011215867_200012359670 [0,2,0,0,0,0|1,1,0]=4 5239 B14R1.3302 C=CC(C)Sc1ccncc1C(=O)N 62a_100011215867_100000697804 [0,2,0,0,0,0|1,1,0]=4 5240 B14R1.3302 C=CC(C)Sc1cnccc1C(=O)N 62a_100011215867_100010205435 [0,2,0,0,0,0|1,1,0]=4 5241 B14R1.3302 C=CC(C)Sc1ncccc1C(=O)N 62a_100011215867_100000162199 [0,2,0,0,0,0|1,1,0]=4 5242 B14R1.3302 CC(=O)c1ccccc1SC(C)C#N 62a_100000751169_100000703298 [0,2,0,0,0,0|1,1,0]=4 5243 B14R1.3302 CC(=O)c1ccccc1S[C@H](C)CO 62a_100000751169_100016084084 [0,2,0,0,0,0|1,1,0]=4 5244 B14R1.3302 CC(=O)c1ccncc1OC(C)C#N 7a_100009872882_100000703298 [0,2,0,0,0,0|2,0,0]=4 5245 B14R1.3302 CC(=O)c1ccncc1OC(C)CO 7a_100009872882_100012180447 [0,2,0,0,0,0|2,0,0]=4 5246 B14R1.3302 CC(=O)c1ncccc1OC(C)C#N 7a_100000087166_100000703298 [0,2,0,0,0,0|2,0,0]=4 5247 B14R1.3302 CC(=O)c1ncccc1OC(C)CO 34a_100000087166_100012180447 [0,2,0,0,0,0|2,0,0]=4 5248 B14R1.3302 CC(=O)c1ncccc1OC(C)CO 7a_100000087166_100012180447 [0,2,0,0,0,0|2,0,0]=4 5249 B14R1.3302 CC(C#N)Oc1ccccc1C(=O)N 7a_100000192804_100000703298 [0,2,0,0,0,0|0,0,0]=2 5250 B14R1.3302 CC(C#N)Oc1ccccc1C(=O)[O-] 7a_100015234032_100000703298 [0,2,0,0,0,0|1,0,0]=3 5251 B14R1.3302 CC(C#N)Oc1ccccc1C(=S)N 7a_100000745089_100000703298 [0,2,0,0,0,0|0,1,0]=3 5252 B14R1.3302 CC(C#N)Oc1ccccc1[N+](=O)[O-] 7a_100000186319_100000703298 [0,2,0,0,0,0|2,0,0]=4 5253 B14R1.3302 CC(C#N)Oc1cccnc1C(=O)N 7a_200011215183_100000703298 [0,2,0,0,0,0|1,0,0]=3 5254 B14R1.3302 CC(C#N)Oc1cnccc1C(=O)N 7a_100012022987_100000703298 [0,2,0,0,0,0|1,0,0]=3 5255 B14R1.3302 CC(C#N)Sc1ccccc1C(=O)N 62a_100000162227_100000703298 [0,2,0,0,0,0|0,1,0]=3 5256 B14R1.3302 CC(C#N)Sc1ccccc1C(=O)N 62a_100000703298_100000162227 [0,2,0,0,0,0|0,1,0]=3 5257 B14R1.3302 CC(C#N)Sc1ccccc1C(=O)O 62a_100000703298_100000734275 [0,2,0,0,0,0|1,1,0]=4 5258 B14R1.3302 CC(C#N)Sc1ccccc1C(=O)O 62a_202125556159_100000703298 [0,2,0,0,0,0|1,1,0]=4 5259 B14R1.3302 CC(C#N)Sc1cccnc1C(=O)N 62a_100000703298_200012359670 [0,2,0,0,0,0|1,1,0]=4 5260 B14R1.3302 CC(C#N)Sc1cccnc1C(=O)N 62a_200012359670_100000703298 [0,2,0,0,0,0|1,1,0]=4 5261 B14R1.3302 CC(C#N)Sc1ccncc1C(=O)N 62a_100000697804_100000703298 [0,2,0,0,0,0|1,1,0]=4 5262 B14R1.3302 CC(C#N)Sc1ccncc1C(=O)N 62a_100000703298_100000697804 [0,2,0,0,0,0|1,1,0]=4 5263 B14R1.3302 CC(C#N)Sc1cnccc1C(=O)N 62a_100000703298_100010205435 [0,2,0,0,0,0|1,1,0]=4 5264 B14R1.3302 CC(C#N)Sc1cnccc1C(=O)N 62a_100010205435_100000703298 [0,2,0,0,0,0|1,1,0]=4 5265 B14R1.3302 CC(C#N)Sc1ncccc1C(=O)N 62a_100000162199_100000703298 [0,2,0,0,0,0|1,1,0]=4 5266 B14R1.3302 CC(C#N)Sc1ncccc1C(=O)N 62a_100000703298_100000162199 [0,2,0,0,0,0|1,1,0]=4 5267 B14R1.3302 CC(CO)Nc1ccccc1C(=O)N 34a_100000185089_100012180447 [0,2,0,0,0,0|1,0,0]=3 5268 B14R1.3302 CC(CO)Oc1ccccc1C(=O)N 34a_100000192804_100012180447 [0,2,0,0,0,0|0,0,0]=2 5269 B14R1.3302 CC(CO)Oc1ccccc1C(=O)N 7a_100000192804_100012180447 [0,2,0,0,0,0|0,0,0]=2 5270 B14R1.3302 CC(CO)Oc1ccccc1C(=O)[O-] 7a_100015234032_100012180447 [0,2,0,0,0,0|1,0,0]=3 5271 B14R1.3302 CC(CO)Oc1ccccc1C(=S)N 7a_100000745089_100012180447 [0,2,0,0,0,0|0,1,0]=3 5272 B14R1.3302 CC(CO)Oc1ccccc1[C@@H](C)N 34a_100025703389_100012180447 [0,2,0,0,0,0|1,0,1]=4 5273 B14R1.3302 CC(CO)Oc1ccccc1[N+](=O)[O-] 34a_100000186319_100012180447 [0,2,0,0,0,0|2,0,0]=4 5274 B14R1.3302 CC(CO)Oc1ccccc1[N+](=O)[O-] 7a_100000186319_100012180447 [0,2,0,0,0,0|2,0,0]=4 5275 B14R1.3302 CC(CO)Oc1cccnc1C(=O)N 34a_200011215183_100012180447 [0,2,0,0,0,0|1,0,0]=3 5276 B14R1.3302 CC(CO)Oc1cccnc1C(=O)N 7a_200011215183_100012180447 [0,2,0,0,0,0|1,0,0]=3 5277 B14R1.3302 CC(CO)Oc1ccncc1C(=O)N 34a_200011998761_100012180447 [0,2,0,0,0,0|1,0,0]=3 5278 B14R1.3302 CC(CO)Oc1cnccc1C(=O)N 7a_100012022987_100012180447 [0,2,0,0,0,0|1,0,0]=3 5279 B14R1.3302 CC(CO)Oc1nccnc1C(=O)N 34a_100011830332_100012180447 [0,2,0,0,0,0|2,0,0]=4 5280 B14R1.3302 CC(CO)Sc1ccccc1C(=O)N 62a_100012180447_100000162227 [0,2,0,0,0,0|0,1,0]=3 5281 B14R1.3302 CC(CO)Sc1ccccc1C(=O)O 62a_100012180447_100000734275 [0,2,0,0,0,0|1,1,0]=4 5282 B14R1.3302 CC(CO)Sc1cccnc1C(=O)N 62a_100012180447_200012359670 [0,2,0,0,0,0|1,1,0]=4 5283 B14R1.3302 CC(CO)Sc1ccncc1C(=O)N 62a_100012180447_100000697804 [0,2,0,0,0,0|1,1,0]=4 5284 B14R1.3302 CC(CO)Sc1cnccc1C(=O)N 62a_100012180447_100010205435 [0,2,0,0,0,0|1,1,0]=4 5285 B14R1.3302 CC(CO)Sc1ncccc1C(=O)N 62a_100012180447_100000162199 [0,2,0,0,0,0|1,1,0]=4 5286 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)C 1458a_100000194446_200000210301 [0,2,0,0,0,0|2,0,0]=4 5287 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210414 [0,2,0,0,0,0|1,0,0]=3 5288 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210414 [0,2,0,0,0,0|1,0,0]=3 5289 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210414 [0,2,0,0,0,0|1,0,0]=3 5290 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100000194446_200025704644 [0,2,0,0,0,0|2,0,0]=4 5291 B14R1.3302 CCC(=O)Nc1ccccc1C(=S)N 1626a_100000206033_100000210414 [0,2,0,0,0,0|1,1,0]=4 5292 B14R1.3302 CCC(C)Nc1ccccc1C(=O)N 34a_100000185089_100011215416 [0,2,0,0,0,0|1,0,0]=3 5293 B14R1.3302 CCC(C)Oc1ccccc1C(=O)N 34a_100000192804_100011215416 [0,2,0,0,0,0|0,0,0]=2 5294 B14R1.3302 CCC(C)Oc1ccccc1C(=O)N 7a_100000192804_100000758301 [0,2,0,0,0,0|0,0,0]=2 5295 B14R1.3302 CCC(C)Oc1ccccc1C(=O)[O-] 7a_100015234032_100000758301 [0,2,0,0,0,0|1,0,0]=3 5296 B14R1.3302 CCC(C)Oc1ccccc1C(=S)N 7a_100000745089_100000758301 [0,2,0,0,0,0|0,1,0]=3 5297 B14R1.3302 CCC(C)Oc1ccccc1[C@@H](C)N 34a_100025703389_100011215416 [0,2,0,0,0,0|1,0,1]=4 5298 B14R1.3302 CCC(C)Oc1ccccc1[N+](=O)[O-] 34a_100000186319_100011215416 [0,2,0,0,0,0|2,0,0]=4 5299 B14R1.3302 CCC(C)Oc1ccccc1[N+](=O)[O-] 7a_100000186319_100000758301 [0,2,0,0,0,0|2,0,0]=4 5300 B14R1.3302 CCC(C)Oc1cccnc1C(=O)C 34a_100000087166_100011215416 [0,2,0,0,0,0|2,0,0]=4 5301 B14R1.3302 CCC(C)Oc1cccnc1C(=O)C 7a_100000087166_100000758301 [0,2,0,0,0,0|2,0,0]=4 5302 B14R1.3302 CCC(C)Oc1cccnc1C(=O)N 34a_200011215183_100011215416 [0,2,0,0,0,0|1,0,0]=3 5303 B14R1.3302 CCC(C)Oc1cccnc1C(=O)N 7a_200011215183_100000758301 [0,2,0,0,0,0|1,0,0]=3 5304 B14R1.3302 CCC(C)Oc1ccncc1C(=O)N 34a_200011998761_100011215416 [0,2,0,0,0,0|1,0,0]=3 5305 B14R1.3302 CCC(C)Oc1cnccc1C(=O)C 7a_100009872882_100000758301 [0,2,0,0,0,0|2,0,0]=4 5306 B14R1.3302 CCC(C)Oc1cnccc1C(=O)N 7a_100012022987_100000758301 [0,2,0,0,0,0|1,0,0]=3 5307 B14R1.3302 CCC(C)Oc1nccnc1C(=O)N 34a_100011830332_100011215416 [0,2,0,0,0,0|2,0,0]=4 5308 B14R1.3302 CCC(C)Sc1ccccc1C(=O)C 62a_100000751169_100000758301 [0,2,0,0,0,0|1,1,0]=4 5309 B14R1.3302 CCC(C)Sc1ccccc1C(=O)N 62a_100000162227_100000758301 [0,2,0,0,0,0|0,1,0]=3 5310 B14R1.3302 CCC(C)Sc1ccccc1C(=O)N 62a_100000758301_100000162227 [0,2,0,0,0,0|0,1,0]=3 5311 B14R1.3302 CCC(C)Sc1ccccc1C(=O)O 62a_100000758301_100000734275 [0,2,0,0,0,0|1,1,0]=4 5312 B14R1.3302 CCC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000758301 [0,2,0,0,0,0|1,1,0]=4 5313 B14R1.3302 CCC(C)Sc1cccnc1C(=O)N 62a_100000758301_200012359670 [0,2,0,0,0,0|1,1,0]=4 5314 B14R1.3302 CCC(C)Sc1cccnc1C(=O)N 62a_200012359670_100000758301 [0,2,0,0,0,0|1,1,0]=4 5315 B14R1.3302 CCC(C)Sc1ccncc1C(=O)N 62a_100000697804_100000758301 [0,2,0,0,0,0|1,1,0]=4 5316 B14R1.3302 CCC(C)Sc1ccncc1C(=O)N 62a_100000758301_100000697804 [0,2,0,0,0,0|1,1,0]=4 5317 B14R1.3302 CCC(C)Sc1cnccc1C(=O)N 62a_100000758301_100010205435 [0,2,0,0,0,0|1,1,0]=4 5318 B14R1.3302 CCC(C)Sc1cnccc1C(=O)N 62a_100010205435_100000758301 [0,2,0,0,0,0|1,1,0]=4 5319 B14R1.3302 CCC(C)Sc1ncccc1C(=O)N 62a_100000162199_100000758301 [0,2,0,0,0,0|1,1,0]=4 5320 B14R1.3302 CCC(C)Sc1ncccc1C(=O)N 62a_100000758301_100000162199 [0,2,0,0,0,0|1,1,0]=4 5321 B14R1.3302 COC(C)Sc1ccccc1C(=O)C 62a_100000751169_100009879195 [0,2,0,0,0,0|1,1,0]=4 5322 B14R1.3302 COC(C)Sc1ccccc1C(=O)N 62a_100000162227_100009879195 [0,2,0,0,0,0|0,1,0]=3 5323 B14R1.3302 COC(C)Sc1ccccc1C(=O)N 62a_100009879195_100000162227 [0,2,0,0,0,0|0,1,0]=3 5324 B14R1.3302 COC(C)Sc1ccccc1C(=O)O 62a_100009879195_100000734275 [0,2,0,0,0,0|1,1,0]=4 5325 B14R1.3302 COC(C)Sc1ccccc1C(=O)O 62a_202125556159_100009879195 [0,2,0,0,0,0|1,1,0]=4 5326 B14R1.3302 COC(C)Sc1cccnc1C(=O)N 62a_100009879195_200012359670 [0,2,0,0,0,0|1,1,0]=4 5327 B14R1.3302 COC(C)Sc1cccnc1C(=O)N 62a_200012359670_100009879195 [0,2,0,0,0,0|1,1,0]=4 5328 B14R1.3302 COC(C)Sc1ccncc1C(=O)N 62a_100000697804_100009879195 [0,2,0,0,0,0|1,1,0]=4 5329 B14R1.3302 COC(C)Sc1ccncc1C(=O)N 62a_100009879195_100000697804 [0,2,0,0,0,0|1,1,0]=4 5330 B14R1.3302 COC(C)Sc1cnccc1C(=O)N 62a_100009879195_100010205435 [0,2,0,0,0,0|1,1,0]=4 5331 B14R1.3302 COC(C)Sc1cnccc1C(=O)N 62a_100010205435_100009879195 [0,2,0,0,0,0|1,1,0]=4 5332 B14R1.3302 COC(C)Sc1ncccc1C(=O)N 62a_100000162199_100009879195 [0,2,0,0,0,0|1,1,0]=4 5333 B14R1.3302 COC(C)Sc1ncccc1C(=O)N 62a_100009879195_100000162199 [0,2,0,0,0,0|1,1,0]=4 5334 B14R1.3302 C[C@H](CF)Nc1cccnc1C(=O)N 27a_100102880703_200012359670 [0,2,0,0,0,0|2,0,0]=4 5335 B14R1.3302 C[C@H](CF)Nc1ccncc1C(=O)N 27a_100102880703_100000697804 [0,2,0,0,0,0|2,0,0]=4 5336 B14R1.3302 C[C@H](CF)Nc1ncccc1C(=O)N 27a_100102880703_100000162199 [0,2,0,0,0,0|2,0,0]=4 5337 B14R1.3302 C[C@H](CO)Nc1cccnc1C(=O)N 27a_100000737577_200012359670 [0,2,0,0,0,0|2,0,0]=4 5338 B14R1.3302 C[C@H](CO)Nc1ccncc1C(=O)N 27a_100000737577_100000697804 [0,2,0,0,0,0|2,0,0]=4 5339 B14R1.3302 C[C@H](CO)Nc1ncccc1C(=O)N 27a_100000737577_100000162199 [0,2,0,0,0,0|2,0,0]=4 5340 B14R1.3302 C[C@H](CO)Sc1ccccc1C(=O)N 62a_100000162227_100016084084 [0,2,0,0,0,0|0,1,0]=3 5341 B14R1.3302 C[C@H](CO)Sc1ccccc1C(=O)N 62a_100016084084_100000162227 [0,2,0,0,0,0|0,1,0]=3 5342 B14R1.3302 C[C@H](CO)Sc1ccccc1C(=O)O 62a_100016084084_100000734275 [0,2,0,0,0,0|1,1,0]=4 5343 B14R1.3302 C[C@H](CO)Sc1ccccc1C(=O)O 62a_202125556159_100016084084 [0,2,0,0,0,0|1,1,0]=4 5344 B14R1.3302 C[C@H](CO)Sc1cccnc1C(=O)N 62a_100016084084_200012359670 [0,2,0,0,0,0|1,1,0]=4 5345 B14R1.3302 C[C@H](CO)Sc1cccnc1C(=O)N 62a_200012359670_100016084084 [0,2,0,0,0,0|1,1,0]=4 5346 B14R1.3302 C[C@H](CO)Sc1ccncc1C(=O)N 62a_100000697804_100016084084 [0,2,0,0,0,0|1,1,0]=4 5347 B14R1.3302 C[C@H](CO)Sc1ccncc1C(=O)N 62a_100016084084_100000697804 [0,2,0,0,0,0|1,1,0]=4 5348 B14R1.3302 C[C@H](CO)Sc1cnccc1C(=O)N 62a_100010205435_100016084084 [0,2,0,0,0,0|1,1,0]=4 5349 B14R1.3302 C[C@H](CO)Sc1cnccc1C(=O)N 62a_100016084084_100010205435 [0,2,0,0,0,0|1,1,0]=4 5350 B14R1.3302 C[C@H](CO)Sc1ncccc1C(=O)N 62a_100000162199_100016084084 [0,2,0,0,0,0|1,1,0]=4 5351 B14R1.3302 C[C@H](CO)Sc1ncccc1C(=O)N 62a_100016084084_100000162199 [0,2,0,0,0,0|1,1,0]=4 5352 B14R1.3302 N#CC(F)Sc1ccccc1C(=O)N 62a_100000162227_200000117898 [0,2,0,0,0,0|0,1,1]=4 5353 B14R1.3302 N#CC(F)Sc1ccccc1C(=O)N 62a_200000117898_100000162227 [0,2,0,0,0,0|0,1,1]=4 5354 B14R1.3302 NC(=O)c1ccccc1NC(=O)CO 22a_100000185089_100000210174 [0,2,0,0,0,0|1,0,1]=4 5355 B14R1.4432 C#CCNc1cccc(c1C(=O)N)C 34a_100102558177_100000184674 [0,2,0,0,0,0|1,0,1]=4 5356 B14R1.4432 C#CCNc1cccc(c1C(=O)N)C 7a_100102558177_100000038162 [0,2,0,0,0,0|1,0,1]=4 5357 B14R1.4432 C#CCNc1cccc(c1C(=O)N)Cl 34a_100000764435_100000184674 [0,2,0,0,0,0|1,0,1]=4 5358 B14R1.4432 C#CCNc1cccc(c1C(=O)N)Cl 7a_100000764435_100000038162 [0,2,0,0,0,0|1,0,1]=4 5359 B14R1.4432 C#CCNc1cccc(c1C(=O)N)F 27a_100000212058_100011219063 [0,2,0,0,0,0|1,0,1]=4 5360 B14R1.4432 C#CCNc1cccc(c1C(=O)N)F 34a_100000036109_100000184674 [0,2,0,0,0,0|1,0,1]=4 5361 B14R1.4432 C#CCNc1cccc(c1C(=O)N)F 7a_100000036109_100000038162 [0,2,0,0,0,0|1,0,1]=4 5362 B14R1.4432 C#CCOc1cccc(c1C(=O)C)Br 34a_100010174959_100000184674 [0,2,0,0,0,0|1,0,1]=4 5363 B14R1.4432 C#CCOc1cccc(c1C(=O)C)Br 7a_100010174959_100000038162 [0,2,0,0,0,0|1,0,1]=4 5364 B14R1.4432 C#CCOc1cccc(c1C(=O)C)C 34a_100009860897_100000184674 [0,2,0,0,0,0|1,0,1]=4 5365 B14R1.4432 C#CCOc1cccc(c1C(=O)C)C 7a_100009860897_100000038162 [0,2,0,0,0,0|1,0,1]=4 5366 B14R1.4432 C#CCOc1cccc(c1C(=O)C)Cl 34a_100000730630_100000184674 [0,2,0,0,0,0|1,0,1]=4 5367 B14R1.4432 C#CCOc1cccc(c1C(=O)C)Cl 7a_100000730630_100000038162 [0,2,0,0,0,0|1,0,1]=4 5368 B14R1.4432 C#CCOc1cccc(c1C(=O)C)F 34a_100011216272_100000184674 [0,2,0,0,0,0|1,0,1]=4 5369 B14R1.4432 C#CCOc1cccc(c1C(=O)C)F 7a_100011216272_100000038162 [0,2,0,0,0,0|1,0,1]=4 5370 B14R1.4432 C#CCOc1cccc(c1C(=O)N)F 34a_100000701607_100000184674 [0,2,0,0,0,0|0,0,1]=3 5371 B14R1.4432 C#CCOc1cccc(c1C(=O)N)F 7a_100000701607_100000038162 [0,2,0,0,0,0|0,0,1]=3 5372 B14R1.4432 C=CCNc1cccc(c1C(=O)N)C 34a_100102558177_100015514636 [0,2,0,0,0,0|1,0,1]=4 5373 B14R1.4432 C=CCNc1cccc(c1C(=O)N)C 7a_100102558177_100015514636 [0,2,0,0,0,0|1,0,1]=4 5374 B14R1.4432 C=CCNc1cccc(c1C(=O)N)Cl 34a_100000764435_100015514636 [0,2,0,0,0,0|1,0,1]=4 5375 B14R1.4432 C=CCNc1cccc(c1C(=O)N)Cl 7a_100000764435_100015514636 [0,2,0,0,0,0|1,0,1]=4 5376 B14R1.4432 C=CCNc1cccc(c1C(=O)N)F 27a_100020586998_100011219063 [0,2,0,0,0,0|1,0,1]=4 5377 B14R1.4432 C=CCNc1cccc(c1C(=O)N)F 34a_100000036109_100015514636 [0,2,0,0,0,0|1,0,1]=4 5378 B14R1.4432 C=CCNc1cccc(c1C(=O)N)F 7a_100000036109_100015514636 [0,2,0,0,0,0|1,0,1]=4 5379 B14R1.4432 C=CCOc1cccc(c1C(=O)C)Br 34a_100010174959_100015514636 [0,2,0,0,0,0|1,0,1]=4 5380 B14R1.4432 C=CCOc1cccc(c1C(=O)C)Br 7a_100010174959_100015514636 [0,2,0,0,0,0|1,0,1]=4 5381 B14R1.4432 C=CCOc1cccc(c1C(=O)C)C 34a_100009860897_100015514636 [0,2,0,0,0,0|1,0,1]=4 5382 B14R1.4432 C=CCOc1cccc(c1C(=O)C)C 7a_100009860897_100015514636 [0,2,0,0,0,0|1,0,1]=4 5383 B14R1.4432 C=CCOc1cccc(c1C(=O)C)Cl 34a_100000730630_100015514636 [0,2,0,0,0,0|1,0,1]=4 5384 B14R1.4432 C=CCOc1cccc(c1C(=O)C)Cl 7a_100000730630_100015514636 [0,2,0,0,0,0|1,0,1]=4 5385 B14R1.4432 C=CCOc1cccc(c1C(=O)C)F 34a_100011216272_100015514636 [0,2,0,0,0,0|1,0,1]=4 5386 B14R1.4432 C=CCOc1cccc(c1C(=O)C)F 7a_100011216272_100015514636 [0,2,0,0,0,0|1,0,1]=4 5387 B14R1.4432 C=CCOc1cccc(c1C(=O)N)F 34a_100000701607_100015514636 [0,2,0,0,0,0|0,0,1]=3 5388 B14R1.4432 C=CCOc1cccc(c1C(=O)N)F 7a_100000701607_100015514636 [0,2,0,0,0,0|0,0,1]=3 5389 B14R1.4432 C=CCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100000210623 [0,2,0,0,0,0|0,1,1]=4 5390 B14R1.4432 C=CCSc1cccc(c1C(=O)N)F 62a_100011219063_100000210623 [0,2,0,0,0,0|0,1,1]=4 5391 B14R1.4432 CC(=O)c1c(cccc1OCC#N)Br 7a_100010174959_100011215382 [0,2,0,0,0,0|1,0,1]=4 5392 B14R1.4432 CC(=O)c1c(cccc1OCC#N)C 7a_100009860897_100011215382 [0,2,0,0,0,0|1,0,1]=4 5393 B14R1.4432 CC(=O)c1c(cccc1OCC#N)Cl 7a_100000730630_100011215382 [0,2,0,0,0,0|1,0,1]=4 5394 B14R1.4432 CC(=O)c1c(cccc1OCC#N)F 7a_100011216272_100011215382 [0,2,0,0,0,0|1,0,1]=4 5395 B14R1.4432 CC(=O)c1c(cccc1OCC=O)Br 34a_100010174959_200009817547 [0,2,0,0,0,0|1,0,1]=4 5396 B14R1.4432 CC(=O)c1c(cccc1OCC=O)Br 7a_100010174959_200015260668 [0,2,0,0,0,0|1,0,1]=4 5397 B14R1.4432 CC(=O)c1c(cccc1OCC=O)C 34a_100009860897_200009817547 [0,2,0,0,0,0|1,0,1]=4 5398 B14R1.4432 CC(=O)c1c(cccc1OCC=O)C 7a_100009860897_200015260668 [0,2,0,0,0,0|1,0,1]=4 5399 B14R1.4432 CC(=O)c1c(cccc1OCC=O)Cl 34a_100000730630_200009817547 [0,2,0,0,0,0|1,0,1]=4 5400 B14R1.4432 CC(=O)c1c(cccc1OCC=O)Cl 7a_100000730630_200015260668 [0,2,0,0,0,0|1,0,1]=4 5401 B14R1.4432 CC(=O)c1c(cccc1OCC=O)F 34a_100011216272_200009817547 [0,2,0,0,0,0|1,0,1]=4 5402 B14R1.4432 CC(=O)c1c(cccc1OCC=O)F 7a_100011216272_200015260668 [0,2,0,0,0,0|1,0,1]=4 5403 B14R1.4432 CC(=O)c1c(cccc1OCCF)Br 34a_100010174959_100011217306 [0,2,0,0,0,0|1,0,0]=3 5404 B14R1.4432 CC(=O)c1c(cccc1OCCF)Br 7a_100010174959_100011217306 [0,2,0,0,0,0|1,0,0]=3 5405 B14R1.4432 CC(=O)c1c(cccc1OCCF)C 34a_100009860897_100011217306 [0,2,0,0,0,0|1,0,0]=3 5406 B14R1.4432 CC(=O)c1c(cccc1OCCF)C 7a_100009860897_100011217306 [0,2,0,0,0,0|1,0,0]=3 5407 B14R1.4432 CC(=O)c1c(cccc1OCCF)Cl 34a_100000730630_100011217306 [0,2,0,0,0,0|1,0,0]=3 5408 B14R1.4432 CC(=O)c1c(cccc1OCCF)Cl 7a_100000730630_100011217306 [0,2,0,0,0,0|1,0,0]=3 5409 B14R1.4432 CC(=O)c1c(cccc1OCCF)F 34a_100011216272_100011217306 [0,2,0,0,0,0|1,0,0]=3 5410 B14R1.4432 CC(=O)c1c(cccc1OCCF)F 7a_100011216272_100011217306 [0,2,0,0,0,0|1,0,0]=3 5411 B14R1.4432 CC(=O)c1c(cccc1OCCO)Br 34a_100010174959_100000211926 [0,2,0,0,0,0|1,0,0]=3 5412 B14R1.4432 CC(=O)c1c(cccc1OCCO)Br 7a_100010174959_100000211926 [0,2,0,0,0,0|1,0,0]=3 5413 B14R1.4432 CC(=O)c1c(cccc1OCCO)C 34a_100009860897_100000211926 [0,2,0,0,0,0|1,0,0]=3 5414 B14R1.4432 CC(=O)c1c(cccc1OCCO)C 7a_100009860897_100000211926 [0,2,0,0,0,0|1,0,0]=3 5415 B14R1.4432 CC(=O)c1c(cccc1OCCO)Cl 34a_100000730630_100000211926 [0,2,0,0,0,0|1,0,0]=3 5416 B14R1.4432 CC(=O)c1c(cccc1OCCO)Cl 7a_100000730630_100000211926 [0,2,0,0,0,0|1,0,0]=3 5417 B14R1.4432 CC(=O)c1c(cccc1OCCO)F 34a_100011216272_100000211926 [0,2,0,0,0,0|1,0,0]=3 5418 B14R1.4432 CC(=O)c1c(cccc1OCCO)F 7a_100011216272_100000211926 [0,2,0,0,0,0|1,0,0]=3 5419 B14R1.4432 CC(=O)c1c(cccc1SCCF)F 62a_100012351873_100011217306 [0,2,0,0,0,0|1,1,0]=4 5420 B14R1.4432 CC(=O)c1c(cccc1SCCO)F 62a_100012351873_100000211926 [0,2,0,0,0,0|1,1,0]=4 5421 B14R1.4432 CCCCc1cccc(c1C(=O)C)F 271570a_100020621405_100012351873 [0,2,0,0,0,0|2,0,0]=4 5422 B14R1.4432 CCCCc1cccc(c1C(=O)C)O 271570a_100020621405_100010174959 [0,2,0,0,0,0|2,0,0]=4 5423 B14R1.4432 CCCCc1cccc(c1C(=O)N)Cl 271570a_100020621405_100010147686 [0,2,0,0,0,0|1,0,0]=3 5424 B14R1.4432 CCCCc1cccc(c1C(=O)N)F 271570a_100020621405_100011219063 [0,2,0,0,0,0|1,0,0]=3 5425 B14R1.4432 CCCCc1cncc(c1C(=O)N)F 271570a_100020621405_100010271514 [0,2,0,0,0,0|2,0,0]=4 5426 B14R1.4432 CCCNc1cccc(c1C(=O)N)C 34a_100102558177_100000210303 [0,2,0,0,0,0|1,0,0]=3 5427 B14R1.4432 CCCNc1cccc(c1C(=O)N)C 7a_100102558177_100000210303 [0,2,0,0,0,0|1,0,0]=3 5428 B14R1.4432 CCCNc1cccc(c1C(=O)N)Cl 34a_100000764435_100000210303 [0,2,0,0,0,0|1,0,0]=3 5429 B14R1.4432 CCCNc1cccc(c1C(=O)N)Cl 7a_100000764435_100000210303 [0,2,0,0,0,0|1,0,0]=3 5430 B14R1.4432 CCCNc1cccc(c1C(=O)N)F 34a_100000036109_100000210303 [0,2,0,0,0,0|1,0,0]=3 5431 B14R1.4432 CCCNc1cccc(c1C(=O)N)F 7a_100000036109_100000210303 [0,2,0,0,0,0|1,0,0]=3 5432 B14R1.4432 CCCOc1cccc(c1C(=O)C)Br 34a_100010174959_100000210303 [0,2,0,0,0,0|1,0,0]=3 5433 B14R1.4432 CCCOc1cccc(c1C(=O)C)Br 7a_100010174959_100000210303 [0,2,0,0,0,0|1,0,0]=3 5434 B14R1.4432 CCCOc1cccc(c1C(=O)C)C 34a_100009860897_100000210303 [0,2,0,0,0,0|1,0,0]=3 5435 B14R1.4432 CCCOc1cccc(c1C(=O)C)C 7a_100009860897_100000210303 [0,2,0,0,0,0|1,0,0]=3 5436 B14R1.4432 CCCOc1cccc(c1C(=O)C)Cl 34a_100000730630_100000210303 [0,2,0,0,0,0|1,0,0]=3 5437 B14R1.4432 CCCOc1cccc(c1C(=O)C)Cl 7a_100000730630_100000210303 [0,2,0,0,0,0|1,0,0]=3 5438 B14R1.4432 CCCOc1cccc(c1C(=O)C)F 34a_100011216272_100000210303 [0,2,0,0,0,0|1,0,0]=3 5439 B14R1.4432 CCCOc1cccc(c1C(=O)C)F 7a_100011216272_100000210303 [0,2,0,0,0,0|1,0,0]=3 5440 B14R1.4432 CCCOc1cccc(c1C(=O)N)F 34a_100000701607_100000210303 [0,2,0,0,0,0|0,0,0]=2 5441 B14R1.4432 CCCOc1cccc(c1C(=O)N)F 7a_100000701607_100000210303 [0,2,0,0,0,0|0,0,0]=2 5442 B14R1.4432 CCCOc1cccc(c1[N+](=O)[O-])Br 34a_100011934925_100000210303 [0,2,0,0,0,0|2,0,0]=4 5443 B14R1.4432 CCCOc1cccc(c1[N+](=O)[O-])Br 7a_100011934925_100000210303 [0,2,0,0,0,0|2,0,0]=4 5444 B14R1.4432 CCCOc1cccc(c1[N+](=O)[O-])C 34a_100000740142_100000210303 [0,2,0,0,0,0|2,0,0]=4 5445 B14R1.4432 CCCOc1cccc(c1[N+](=O)[O-])C 7a_100000740142_100000210303 [0,2,0,0,0,0|2,0,0]=4 5446 B14R1.4432 CCCOc1cccc(c1[N+](=O)[O-])Cl 34a_100011999376_100000210303 [0,2,0,0,0,0|2,0,0]=4 5447 B14R1.4432 CCCOc1cccc(c1[N+](=O)[O-])Cl 7a_100011999376_100000210303 [0,2,0,0,0,0|2,0,0]=4 5448 B14R1.4432 CCCOc1cccc(c1[N+](=O)[O-])F 34a_100011217962_100000210303 [0,2,0,0,0,0|2,0,0]=4 5449 B14R1.4432 CCCOc1cccc(c1[N+](=O)[O-])F 7a_100011217962_100000210303 [0,2,0,0,0,0|2,0,0]=4 5450 B14R1.4432 CCCOc1cccc(c1[N+](=O)[O-])I 7a_100010150324_100000210303 [0,2,0,0,0,0|2,0,0]=4 5451 B14R1.4432 CCCSc1cccc(c1C(=O)C)F 62a_100012351873_100000210303 [0,2,0,0,0,0|1,1,0]=4 5452 B14R1.4432 CCCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100000210303 [0,2,0,0,0,0|0,1,0]=3 5453 B14R1.4432 CCCSc1cccc(c1C(=O)N)F 62a_100011219063_100000210303 [0,2,0,0,0,0|0,1,0]=3 5454 B14R1.4432 CCCSc1cncc(c1C(=O)N)F 62a_100000210303_100010271514 [0,2,0,0,0,0|1,1,0]=4 5455 B14R1.4432 CCCSc1cncc(c1C(=O)N)F 62a_100010271514_100000210303 [0,2,0,0,0,0|1,1,0]=4 5456 B14R1.4432 CCOCc1cccc(c1[N+](=O)[O-])Br 34a_100121572206_100010145487 [0,2,0,0,0,0|2,0,0]=4 5457 B14R1.4432 CCOCc1cccc(c1[N+](=O)[O-])Br 7a_100010147062_100000210202 [0,2,0,0,0,0|2,0,0]=4 5458 B14R1.4432 CCOCc1cccc(c1[N+](=O)[O-])C 34a_100000032366_100000210202 [0,2,0,0,0,0|2,0,0]=4 5459 B14R1.4432 CCOCc1cccc(c1[N+](=O)[O-])C 34a_100121572206_100010188692 [0,2,0,0,0,0|2,0,0]=4 5460 B14R1.4432 CCOCc1cccc(c1[N+](=O)[O-])C 7a_100000032366_100000210202 [0,2,0,0,0,0|2,0,0]=4 5461 B14R1.4432 CCOCc1cccc(c1[N+](=O)[O-])Cl 34a_100121572206_100009990124 [0,2,0,0,0,0|2,0,0]=4 5462 B14R1.4432 CCOCc1cccc(c1[N+](=O)[O-])Cl 7a_100000067488_100000210202 [0,2,0,0,0,0|2,0,0]=4 5463 B14R1.4432 CCOCc1cccc(c1[N+](=O)[O-])F 34a_100009840826_100000210202 [0,2,0,0,0,0|2,0,0]=4 5464 B14R1.4432 CCOCc1cccc(c1[N+](=O)[O-])F 7a_100009840826_100000210202 [0,2,0,0,0,0|2,0,0]=4 5465 B14R1.4432 COCSc1cccc(c1C(=O)C)F 62a_100012351873_100000766300 [0,2,0,0,0,0|1,1,0]=4 5466 B14R1.4432 COCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100000766300 [0,2,0,0,0,0|0,1,0]=3 5467 B14R1.4432 COCSc1cccc(c1C(=O)N)F 62a_100011219063_100000766300 [0,2,0,0,0,0|0,1,0]=3 5468 B14R1.4432 COCSc1cncc(c1C(=O)N)F 62a_100000766300_100010271514 [0,2,0,0,0,0|1,1,0]=4 5469 B14R1.4432 COCSc1cncc(c1C(=O)N)F 62a_100010271514_100000766300 [0,2,0,0,0,0|1,1,0]=4 5470 B14R1.4432 CSCNc1cccc(c1C(=O)N)C 34a_100102558177_100011218213 [0,2,0,0,0,0|1,0,0]=3 5471 B14R1.4432 CSCNc1cccc(c1C(=O)N)Cl 34a_100000764435_100011218213 [0,2,0,0,0,0|1,0,0]=3 5472 B14R1.4432 CSCNc1cccc(c1C(=O)N)F 34a_100000036109_100011218213 [0,2,0,0,0,0|1,0,0]=3 5473 B14R1.4432 CSCOc1cccc(c1C(=O)C)Br 34a_100010174959_100011218213 [0,2,0,0,0,0|1,0,0]=3 5474 B14R1.4432 CSCOc1cccc(c1C(=O)C)C 34a_100009860897_100011218213 [0,2,0,0,0,0|1,0,0]=3 5475 B14R1.4432 CSCOc1cccc(c1C(=O)C)Cl 34a_100000730630_100011218213 [0,2,0,0,0,0|1,0,0]=3 5476 B14R1.4432 CSCOc1cccc(c1C(=O)C)F 34a_100011216272_100011218213 [0,2,0,0,0,0|1,0,0]=3 5477 B14R1.4432 CSCOc1cccc(c1C(=O)N)F 34a_100000701607_100011218213 [0,2,0,0,0,0|0,0,0]=2 5478 B14R1.4432 CSCOc1cccc(c1[N+](=O)[O-])Br 34a_100011934925_100011218213 [0,2,0,0,0,0|2,0,0]=4 5479 B14R1.4432 CSCOc1cccc(c1[N+](=O)[O-])C 34a_100000740142_100011218213 [0,2,0,0,0,0|2,0,0]=4 5480 B14R1.4432 CSCOc1cccc(c1[N+](=O)[O-])Cl 34a_100011999376_100011218213 [0,2,0,0,0,0|2,0,0]=4 5481 B14R1.4432 CSCOc1cccc(c1[N+](=O)[O-])F 34a_100011217962_100011218213 [0,2,0,0,0,0|2,0,0]=4 5482 B14R1.4432 CSCSc1cccc(c1C(=O)C)F 62a_100012351873_100011218213 [0,2,0,0,0,0|1,1,0]=4 5483 B14R1.4432 CSCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100011218213 [0,2,0,0,0,0|0,1,0]=3 5484 B14R1.4432 CSCSc1cccc(c1C(=O)N)F 62a_100011219063_100011218213 [0,2,0,0,0,0|0,1,0]=3 5485 B14R1.4432 CSCSc1cncc(c1C(=O)N)F 62a_100010271514_100011218213 [0,2,0,0,0,0|1,1,0]=4 5486 B14R1.4432 CSCSc1cncc(c1C(=O)N)F 62a_100011218213_100010271514 [0,2,0,0,0,0|1,1,0]=4 5487 B14R1.4432 Cc1cccc(c1C(=O)N)NCC#N 7a_100102558177_100011215382 [0,2,0,0,0,0|1,0,1]=4 5488 B14R1.4432 Cc1cccc(c1C(=O)N)NCC=O 34a_100102558177_200009817547 [0,2,0,0,0,0|1,0,1]=4 5489 B14R1.4432 Cc1cccc(c1C(=O)N)NCC=O 7a_100102558177_200015260668 [0,2,0,0,0,0|1,0,1]=4 5490 B14R1.4432 Cc1cccc(c1C(=O)N)NCCF 34a_100102558177_100011217306 [0,2,0,0,0,0|1,0,0]=3 5491 B14R1.4432 Cc1cccc(c1C(=O)N)NCCF 7a_100102558177_100011217306 [0,2,0,0,0,0|1,0,0]=3 5492 B14R1.4432 Cc1cccc(c1C(=O)N)NCCO 34a_100102558177_100000211926 [0,2,0,0,0,0|1,0,0]=3 5493 B14R1.4432 Cc1cccc(c1C(=O)N)NCCO 7a_100102558177_100000211926 [0,2,0,0,0,0|1,0,0]=3 5494 B14R1.4432 Cc1cccc(c1[N+](=O)[O-])OCCF 34a_100000740142_100011217306 [0,2,0,0,0,0|2,0,0]=4 5495 B14R1.4432 Cc1cccc(c1[N+](=O)[O-])OCCF 7a_100000740142_100011217306 [0,2,0,0,0,0|2,0,0]=4 5496 B14R1.4432 Cc1cccc(c1[N+](=O)[O-])OCCO 34a_100000740142_100000211926 [0,2,0,0,0,0|2,0,0]=4 5497 B14R1.4432 Cc1cccc(c1[N+](=O)[O-])OCCO 7a_100000740142_100000211926 [0,2,0,0,0,0|2,0,0]=4 5498 B14R1.4432 N#CCNc1cccc(c1C(=O)N)Cl 7a_100000764435_100011215382 [0,2,0,0,0,0|1,0,1]=4 5499 B14R1.4432 N#CCNc1cccc(c1C(=O)N)F 7a_100000036109_100011215382 [0,2,0,0,0,0|1,0,1]=4 5500 B14R1.4432 N#CCOc1cccc(c1C(=O)N)F 7a_100000701607_100011215382 [0,2,0,0,0,0|0,0,1]=3 5501 B14R1.4432 N#CCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100011215382 [0,2,0,0,0,0|0,1,1]=4 5502 B14R1.4432 N#CCSc1cccc(c1C(=O)N)F 62a_100011219063_100011215382 [0,2,0,0,0,0|0,1,1]=4 5503 B14R1.4432 NC(=O)c1c(cccc1NCC=O)Cl 34a_100000764435_200009817547 [0,2,0,0,0,0|1,0,1]=4 5504 B14R1.4432 NC(=O)c1c(cccc1NCC=O)Cl 7a_100000764435_200015260668 [0,2,0,0,0,0|1,0,1]=4 5505 B14R1.4432 NC(=O)c1c(cccc1NCC=O)F 34a_100000036109_200009817547 [0,2,0,0,0,0|1,0,1]=4 5506 B14R1.4432 NC(=O)c1c(cccc1NCC=O)F 7a_100000036109_200015260668 [0,2,0,0,0,0|1,0,1]=4 5507 B14R1.4432 NC(=O)c1c(cccc1NCCF)Cl 34a_100000764435_100011217306 [0,2,0,0,0,0|1,0,0]=3 5508 B14R1.4432 NC(=O)c1c(cccc1NCCF)Cl 7a_100000764435_100011217306 [0,2,0,0,0,0|1,0,0]=3 5509 B14R1.4432 NC(=O)c1c(cccc1NCCF)F 34a_100000036109_100011217306 [0,2,0,0,0,0|1,0,0]=3 5510 B14R1.4432 NC(=O)c1c(cccc1NCCF)F 7a_100000036109_100011217306 [0,2,0,0,0,0|1,0,0]=3 5511 B14R1.4432 NC(=O)c1c(cccc1NCCO)Cl 34a_100000764435_100000211926 [0,2,0,0,0,0|1,0,0]=3 5512 B14R1.4432 NC(=O)c1c(cccc1NCCO)Cl 7a_100000764435_100000211926 [0,2,0,0,0,0|1,0,0]=3 5513 B14R1.4432 NC(=O)c1c(cccc1NCCO)F 27a_100000210304_100011219063 [0,2,0,0,0,0|1,0,0]=3 5514 B14R1.4432 NC(=O)c1c(cccc1NCCO)F 34a_100000036109_100000211926 [0,2,0,0,0,0|1,0,0]=3 5515 B14R1.4432 NC(=O)c1c(cccc1NCCO)F 7a_100000036109_100000211926 [0,2,0,0,0,0|1,0,0]=3 5516 B14R1.4432 NC(=O)c1c(cccc1OCC=O)F 34a_100000701607_200009817547 [0,2,0,0,0,0|0,0,1]=3 5517 B14R1.4432 NC(=O)c1c(cccc1OCC=O)F 7a_100000701607_200015260668 [0,2,0,0,0,0|0,0,1]=3 5518 B14R1.4432 NC(=O)c1c(cccc1OCCF)F 34a_100000701607_100011217306 [0,2,0,0,0,0|0,0,0]=2 5519 B14R1.4432 NC(=O)c1c(cccc1OCCF)F 7a_100000701607_100011217306 [0,2,0,0,0,0|0,0,0]=2 5520 B14R1.4432 NC(=O)c1c(cccc1OCCO)F 34a_100000701607_100000211926 [0,2,0,0,0,0|0,0,0]=2 5521 B14R1.4432 NC(=O)c1c(cccc1OCCO)F 7a_100000701607_100000211926 [0,2,0,0,0,0|0,0,0]=2 5522 B14R1.4432 NC(=O)c1c(cccc1SCC=O)Cl 62a_100010147686_200015260668 [0,2,0,0,0,0|0,1,1]=4 5523 B14R1.4432 NC(=O)c1c(cccc1SCC=O)F 62a_100011219063_200015260668 [0,2,0,0,0,0|0,1,1]=4 5524 B14R1.4432 NC(=O)c1c(cccc1SCCF)Cl 62a_100010147686_100011217306 [0,2,0,0,0,0|0,1,0]=3 5525 B14R1.4432 NC(=O)c1c(cccc1SCCF)F 62a_100011219063_100011217306 [0,2,0,0,0,0|0,1,0]=3 5526 B14R1.4432 NC(=O)c1c(cccc1SCCO)Cl 62a_100010147686_100000211926 [0,2,0,0,0,0|0,1,0]=3 5527 B14R1.4432 NC(=O)c1c(cccc1SCCO)F 62a_100011219063_100000211926 [0,2,0,0,0,0|0,1,0]=3 5528 B14R1.4432 NC(=O)c1c(cncc1SCCF)F 62a_100010271514_100011217306 [0,2,0,0,0,0|1,1,0]=4 5529 B14R1.4432 NC(=O)c1c(cncc1SCCF)F 62a_100011217306_100010271514 [0,2,0,0,0,0|1,1,0]=4 5530 B14R1.4432 NC(=O)c1c(cncc1SCCO)F 62a_100000211926_100010271514 [0,2,0,0,0,0|1,1,0]=4 5531 B14R1.4432 NC(=O)c1c(cncc1SCCO)F 62a_100010271514_100000211926 [0,2,0,0,0,0|1,1,0]=4 5532 B14R1.4432 O=[N+]([O-])c1c(cccc1OCCF)Br 34a_100011934925_100011217306 [0,2,0,0,0,0|2,0,0]=4 5533 B14R1.4432 O=[N+]([O-])c1c(cccc1OCCF)Br 7a_100011934925_100011217306 [0,2,0,0,0,0|2,0,0]=4 5534 B14R1.4432 O=[N+]([O-])c1c(cccc1OCCF)Cl 34a_100011999376_100011217306 [0,2,0,0,0,0|2,0,0]=4 5535 B14R1.4432 O=[N+]([O-])c1c(cccc1OCCF)Cl 7a_100011999376_100011217306 [0,2,0,0,0,0|2,0,0]=4 5536 B14R1.4432 O=[N+]([O-])c1c(cccc1OCCF)F 34a_100011217962_100011217306 [0,2,0,0,0,0|2,0,0]=4 5537 B14R1.4432 O=[N+]([O-])c1c(cccc1OCCF)F 7a_100011217962_100011217306 [0,2,0,0,0,0|2,0,0]=4 5538 B14R1.4432 O=[N+]([O-])c1c(cccc1OCCF)I 7a_100010150324_100011217306 [0,2,0,0,0,0|2,0,0]=4 5539 B14R1.4432 O=[N+]([O-])c1c(cccc1OCCO)Br 34a_100011934925_100000211926 [0,2,0,0,0,0|2,0,0]=4 5540 B14R1.4432 O=[N+]([O-])c1c(cccc1OCCO)Br 7a_100011934925_100000211926 [0,2,0,0,0,0|2,0,0]=4 5541 B14R1.4432 O=[N+]([O-])c1c(cccc1OCCO)Cl 34a_100011999376_100000211926 [0,2,0,0,0,0|2,0,0]=4 5542 B14R1.4432 O=[N+]([O-])c1c(cccc1OCCO)Cl 7a_100011999376_100000211926 [0,2,0,0,0,0|2,0,0]=4 5543 B14R1.4432 O=[N+]([O-])c1c(cccc1OCCO)F 34a_100011217962_100000211926 [0,2,0,0,0,0|2,0,0]=4 5544 B14R1.4432 O=[N+]([O-])c1c(cccc1OCCO)F 7a_100011217962_100000211926 [0,2,0,0,0,0|2,0,0]=4 5545 B14R1.4432 O=[N+]([O-])c1c(cccc1OCCO)I 7a_100010150324_100000211926 [0,2,0,0,0,0|2,0,0]=4 5546 B14R1.4522 C=C(C)CNc1ccccc1C(=O)N 34a_100000185089_100000748629 [0,2,0,0,0,0|1,0,0]=3 5547 B14R1.4522 C=C(C)CNc1cccnc1C(=O)N 27a_100000765925_200012359670 [0,2,0,0,0,0|2,0,0]=4 5548 B14R1.4522 C=C(C)CNc1ccncc1C(=O)N 27a_100000765925_100000697804 [0,2,0,0,0,0|2,0,0]=4 5549 B14R1.4522 C=C(C)CNc1ncccc1C(=O)N 27a_100000765925_100000162199 [0,2,0,0,0,0|2,0,0]=4 5550 B14R1.4522 C=C(C)COc1ccccc1C(=O)C 1458a_100000217157_200000210301 [0,2,0,0,0,0|1,0,0]=3 5551 B14R1.4522 C=C(C)COc1ccccc1C(=O)N 34a_100000192804_100000748629 [0,2,0,0,0,0|0,0,0]=2 5552 B14R1.4522 C=C(C)COc1ccccc1C(=O)N 7a_100000192804_100000748629 [0,2,0,0,0,0|0,0,0]=2 5553 B14R1.4522 C=C(C)COc1ccccc1C(=O)[13CH3] 1458a_100000217157_200025704644 [0,2,0,0,0,0|1,0,0]=3 5554 B14R1.4522 C=C(C)COc1ccccc1C(=O)[O-] 7a_100015234032_100000748629 [0,2,0,0,0,0|1,0,0]=3 5555 B14R1.4522 C=C(C)COc1ccccc1C(=S)N 7a_100000745089_100000748629 [0,2,0,0,0,0|0,1,0]=3 5556 B14R1.4522 C=C(C)COc1ccccc1[C@@H](C)N 34a_100025703389_100000748629 [0,2,0,0,0,0|1,0,1]=4 5557 B14R1.4522 C=C(C)COc1ccccc1[N+](=O)[O-] 34a_100000186319_100000748629 [0,2,0,0,0,0|2,0,0]=4 5558 B14R1.4522 C=C(C)COc1ccccc1[N+](=O)[O-] 7a_100000186319_100000748629 [0,2,0,0,0,0|2,0,0]=4 5559 B14R1.4522 C=C(C)COc1cccnc1C(=O)C 34a_100000087166_100000748629 [0,2,0,0,0,0|2,0,0]=4 5560 B14R1.4522 C=C(C)COc1cccnc1C(=O)C 7a_100000087166_100000748629 [0,2,0,0,0,0|2,0,0]=4 5561 B14R1.4522 C=C(C)COc1cccnc1C(=O)N 34a_200011215183_100000748629 [0,2,0,0,0,0|1,0,0]=3 5562 B14R1.4522 C=C(C)COc1cccnc1C(=O)N 7a_200011215183_100000748629 [0,2,0,0,0,0|1,0,0]=3 5563 B14R1.4522 C=C(C)COc1ccncc1C(=O)N 34a_200011998761_100000748629 [0,2,0,0,0,0|1,0,0]=3 5564 B14R1.4522 C=C(C)COc1cnccc1C(=O)C 7a_100009872882_100000748629 [0,2,0,0,0,0|2,0,0]=4 5565 B14R1.4522 C=C(C)COc1cnccc1C(=O)N 7a_100012022987_100000748629 [0,2,0,0,0,0|1,0,0]=3 5566 B14R1.4522 C=C(C)COc1nccnc1C(=O)N 34a_100011830332_100000748629 [0,2,0,0,0,0|2,0,0]=4 5567 B14R1.4522 C=C(C)CSc1ccccc1C(=O)C 62a_100000751169_100000211660 [0,2,0,0,0,0|1,1,0]=4 5568 B14R1.4522 C=C(C)CSc1ccccc1C(=O)N 62a_100000162227_100000211660 [0,2,0,0,0,0|0,1,0]=3 5569 B14R1.4522 C=C(C)CSc1ccccc1C(=O)N 62a_100000748629_100000162227 [0,2,0,0,0,0|0,1,0]=3 5570 B14R1.4522 C=C(C)CSc1ccccc1C(=O)O 62a_100000748629_100000734275 [0,2,0,0,0,0|1,1,0]=4 5571 B14R1.4522 C=C(C)CSc1ccccc1C(=O)O 62a_202125556159_100000211660 [0,2,0,0,0,0|1,1,0]=4 5572 B14R1.4522 C=C(C)CSc1cccnc1C(=O)N 62a_100000748629_200012359670 [0,2,0,0,0,0|1,1,0]=4 5573 B14R1.4522 C=C(C)CSc1cccnc1C(=O)N 62a_200012359670_100000211660 [0,2,0,0,0,0|1,1,0]=4 5574 B14R1.4522 C=C(C)CSc1ccncc1C(=O)N 62a_100000697804_100000211660 [0,2,0,0,0,0|1,1,0]=4 5575 B14R1.4522 C=C(C)CSc1ccncc1C(=O)N 62a_100000748629_100000697804 [0,2,0,0,0,0|1,1,0]=4 5576 B14R1.4522 C=C(C)CSc1cnccc1C(=O)N 62a_100000748629_100010205435 [0,2,0,0,0,0|1,1,0]=4 5577 B14R1.4522 C=C(C)CSc1cnccc1C(=O)N 62a_100010205435_100000211660 [0,2,0,0,0,0|1,1,0]=4 5578 B14R1.4522 C=C(C)CSc1ncccc1C(=O)N 62a_100000162199_100000211660 [0,2,0,0,0,0|1,1,0]=4 5579 B14R1.4522 C=C(C)CSc1ncccc1C(=O)N 62a_100000748629_100000162199 [0,2,0,0,0,0|1,1,0]=4 5580 B14R1.4522 C=C(C)c1ccccc1OCC(F)F 271570a_100000694244_100000692002 [0,2,0,0,0,0|2,0,0]=4 5581 B14R1.4522 C=C(F)CNc1ccccc1C(=O)N 34a_100000185089_100009893438 [0,2,0,0,0,0|1,0,1]=4 5582 B14R1.4522 C=C(F)COc1ccccc1C(=O)N 34a_100000192804_100009893438 [0,2,0,0,0,0|0,0,1]=3 5583 B14R1.4522 C=C(F)COc1ccccc1C(=O)N 7a_100000192804_100000042424 [0,2,0,0,0,0|0,0,1]=3 5584 B14R1.4522 C=C(F)COc1ccccc1C(=O)[O-] 7a_100015234032_100000042424 [0,2,0,0,0,0|1,0,1]=4 5585 B14R1.4522 C=C(F)COc1ccccc1C(=S)N 7a_100000745089_100000042424 [0,2,0,0,0,0|0,1,1]=4 5586 B14R1.4522 C=C(F)COc1cccnc1C(=O)N 34a_200011215183_100009893438 [0,2,0,0,0,0|1,0,1]=4 5587 B14R1.4522 C=C(F)COc1cccnc1C(=O)N 7a_200011215183_100000042424 [0,2,0,0,0,0|1,0,1]=4 5588 B14R1.4522 C=C(F)COc1ccncc1C(=O)N 34a_200011998761_100009893438 [0,2,0,0,0,0|1,0,1]=4 5589 B14R1.4522 C=C(F)COc1cnccc1C(=O)N 7a_100012022987_100000042424 [0,2,0,0,0,0|1,0,1]=4 5590 B14R1.4522 C=C(F)CSc1ccccc1C(=O)N 62a_100000042424_100000162227 [0,2,0,0,0,0|0,1,1]=4 5591 B14R1.4522 C=C(F)CSc1ccccc1C(=O)N 62a_100000162227_100000042424 [0,2,0,0,0,0|0,1,1]=4 5592 B14R1.4522 CC(=O)COc1ccccc1C(=O)N 1458a_100000182327_200000210301 [0,2,0,0,0,0|0,0,0]=2 5593 B14R1.4522 CC(=O)COc1ccccc1[N+](=O)[O-] 1458a_100000182526_200000210301 [0,2,0,0,0,0|2,0,0]=4 5594 B14R1.4522 CC(=O)c1ccccc1C=CC(C)C 271570a_100016257149_100000751169 [0,2,0,0,0,0|2,0,0]=4 5595 B14R1.4522 CC(=O)c1ccccc1C=CC(C)O 271570a_200011019289_100000751169 [0,2,0,0,0,0|2,0,0]=4 5596 B14R1.4522 CC(=O)c1ccccc1SCC(C)C 1458a_200000217235_200000210301 [0,2,0,0,0,0|1,1,0]=4 5597 B14R1.4522 CC(=O)c1ccccc1SCC(C)C 62a_100000751169_100000210760 [0,2,0,0,0,0|1,1,0]=4 5598 B14R1.4522 CC(=O)c1ccccc1SCC(C)O 62a_100000751169_100011218427 [0,2,0,0,0,0|1,1,0]=4 5599 B14R1.4522 CC(=O)c1ccccc1SCC(F)F 62a_100000751169_100011934356 [0,2,0,0,0,0|1,1,0]=4 5600 B14R1.4522 CC(=O)c1ccccc1SC[C@@H](C)O 62a_100000751169_100009817552 [0,2,0,0,0,0|1,1,0]=4 5601 B14R1.4522 CC(=O)c1ccncc1OCC(C)C 7a_100009872882_100000210760 [0,2,0,0,0,0|2,0,0]=4 5602 B14R1.4522 CC(=O)c1ccncc1OCC(C)O 7a_100009872882_100011218427 [0,2,0,0,0,0|2,0,0]=4 5603 B14R1.4522 CC(=O)c1ccncc1OCC(F)F 7a_100009872882_100011934356 [0,2,0,0,0,0|2,0,0]=4 5604 B14R1.4522 CC(=O)c1ccncc1OC[C@@H](C)O 7a_100009872882_100009817552 [0,2,0,0,0,0|2,0,0]=4 5605 B14R1.4522 CC(=O)c1ncccc1OCC(C)C 34a_100000087166_100000210624 [0,2,0,0,0,0|2,0,0]=4 5606 B14R1.4522 CC(=O)c1ncccc1OCC(C)C 7a_100000087166_100000210760 [0,2,0,0,0,0|2,0,0]=4 5607 B14R1.4522 CC(=O)c1ncccc1OCC(C)O 34a_100000087166_100011218427 [0,2,0,0,0,0|2,0,0]=4 5608 B14R1.4522 CC(=O)c1ncccc1OCC(C)O 7a_100000087166_100011218427 [0,2,0,0,0,0|2,0,0]=4 5609 B14R1.4522 CC(=O)c1ncccc1OCC(F)F 34a_100000087166_100011934356 [0,2,0,0,0,0|2,0,0]=4 5610 B14R1.4522 CC(=O)c1ncccc1OCC(F)F 7a_100000087166_100011934356 [0,2,0,0,0,0|2,0,0]=4 5611 B14R1.4522 CC(=O)c1ncccc1OC[C@@H](C)O 34a_100000087166_100009817552 [0,2,0,0,0,0|2,0,0]=4 5612 B14R1.4522 CC(=O)c1ncccc1OC[C@@H](C)O 7a_100000087166_100009817552 [0,2,0,0,0,0|2,0,0]=4 5613 B14R1.4522 CC(C)C=Cc1ccccc1C(=O)N 271570a_100016257149_100000162227 [0,2,0,0,0,0|1,0,0]=3 5614 B14R1.4522 CC(C)C=Cc1cccnc1C(=O)N 271570a_100016257149_200012359670 [0,2,0,0,0,0|2,0,0]=4 5615 B14R1.4522 CC(C)C=Cc1ccncc1C(=O)N 271570a_100016257149_100000697804 [0,2,0,0,0,0|2,0,0]=4 5616 B14R1.4522 CC(C)C=Cc1cnccc1C(=O)N 271570a_100016257149_100010205435 [0,2,0,0,0,0|2,0,0]=4 5617 B14R1.4522 CC(C)C=Cc1ncccc1C(=O)N 271570a_100016257149_100000162199 [0,2,0,0,0,0|2,0,0]=4 5618 B14R1.4522 CC(C)CNc1ccccc1C(=O)N 34a_100000185089_100000210624 [0,2,0,0,0,0|1,0,0]=3 5619 B14R1.4522 CC(C)CNc1cccnc1C(=O)N 27a_100000210953_200012359670 [0,2,0,0,0,0|2,0,0]=4 5620 B14R1.4522 CC(C)CNc1ccncc1C(=O)N 27a_100000210953_100000697804 [0,2,0,0,0,0|2,0,0]=4 5621 B14R1.4522 CC(C)CNc1ncccc1C(=O)N 27a_100000210953_100000162199 [0,2,0,0,0,0|2,0,0]=4 5622 B14R1.4522 CC(C)COc1ccccc1C(=O)N 34a_100000192804_100000210624 [0,2,0,0,0,0|0,0,0]=2 5623 B14R1.4522 CC(C)COc1ccccc1C(=O)N 7a_100000192804_100000210760 [0,2,0,0,0,0|0,0,0]=2 5624 B14R1.4522 CC(C)COc1ccccc1C(=O)[O-] 7a_100015234032_100000210760 [0,2,0,0,0,0|1,0,0]=3 5625 B14R1.4522 CC(C)COc1ccccc1C(=S)N 7a_100000745089_100000210760 [0,2,0,0,0,0|0,1,0]=3 5626 B14R1.4522 CC(C)COc1ccccc1[C@@H](C)N 34a_100025703389_100000210624 [0,2,0,0,0,0|1,0,1]=4 5627 B14R1.4522 CC(C)COc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210624 [0,2,0,0,0,0|2,0,0]=4 5628 B14R1.4522 CC(C)COc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210760 [0,2,0,0,0,0|2,0,0]=4 5629 B14R1.4522 CC(C)COc1cccnc1C(=O)N 34a_200011215183_100000210624 [0,2,0,0,0,0|1,0,0]=3 5630 B14R1.4522 CC(C)COc1cccnc1C(=O)N 7a_200011215183_100000210760 [0,2,0,0,0,0|1,0,0]=3 5631 B14R1.4522 CC(C)COc1ccncc1C(=O)N 34a_200011998761_100000210624 [0,2,0,0,0,0|1,0,0]=3 5632 B14R1.4522 CC(C)COc1cnccc1C(=O)N 7a_100012022987_100000210760 [0,2,0,0,0,0|1,0,0]=3 5633 B14R1.4522 CC(C)COc1nccnc1C(=O)N 34a_100011830332_100000210624 [0,2,0,0,0,0|2,0,0]=4 5634 B14R1.4522 CC(C)CSc1ccccc1C(=O)N 62a_100000162227_100000210760 [0,2,0,0,0,0|0,1,0]=3 5635 B14R1.4522 CC(C)CSc1ccccc1C(=O)N 62a_100000210624_100000162227 [0,2,0,0,0,0|0,1,0]=3 5636 B14R1.4522 CC(C)CSc1ccccc1C(=O)O 62a_100000210624_100000734275 [0,2,0,0,0,0|1,1,0]=4 5637 B14R1.4522 CC(C)CSc1ccccc1C(=O)O 62a_202125556159_100000210760 [0,2,0,0,0,0|1,1,0]=4 5638 B14R1.4522 CC(C)CSc1ccccc1C(=O)[13CH3] 1458a_200000217235_200025704644 [0,2,0,0,0,0|1,1,0]=4 5639 B14R1.4522 CC(C)CSc1cccnc1C(=O)N 62a_100000210624_200012359670 [0,2,0,0,0,0|1,1,0]=4 5640 B14R1.4522 CC(C)CSc1cccnc1C(=O)N 62a_200012359670_100000210760 [0,2,0,0,0,0|1,1,0]=4 5641 B14R1.4522 CC(C)CSc1ccncc1C(=O)N 62a_100000210624_100000697804 [0,2,0,0,0,0|1,1,0]=4 5642 B14R1.4522 CC(C)CSc1ccncc1C(=O)N 62a_100000697804_100000210760 [0,2,0,0,0,0|1,1,0]=4 5643 B14R1.4522 CC(C)CSc1cnccc1C(=O)N 62a_100000210624_100010205435 [0,2,0,0,0,0|1,1,0]=4 5644 B14R1.4522 CC(C)CSc1cnccc1C(=O)N 62a_100010205435_100000210760 [0,2,0,0,0,0|1,1,0]=4 5645 B14R1.4522 CC(C)CSc1ncccc1C(=O)N 62a_100000162199_100000210760 [0,2,0,0,0,0|1,1,0]=4 5646 B14R1.4522 CC(C)CSc1ncccc1C(=O)N 62a_100000210624_100000162199 [0,2,0,0,0,0|1,1,0]=4 5647 B14R1.4522 CC(C)NCc1ccccc1C(=O)O 269956a_100015183376_100000210206 [0,2,0,0,0,0|2,0,0]=4 5648 B14R1.4522 CC(C)OCc1ccccc1[N+](=O)[O-] 34a_100000212225_100000181388 [0,2,0,0,0,0|2,0,0]=4 5649 B14R1.4522 CC(C)OCc1ccccc1[N+](=O)[O-] 7a_100011218404_100000210206 [0,2,0,0,0,0|2,0,0]=4 5650 B14R1.4522 CC(O)C=Cc1ccccc1C(=O)N 271570a_200011019289_100000162227 [0,2,0,0,0,0|1,0,0]=3 5651 B14R1.4522 CC(O)C=Cc1cccnc1C(=O)N 271570a_200011019289_200012359670 [0,2,0,0,0,0|2,0,0]=4 5652 B14R1.4522 CC(O)C=Cc1ccncc1C(=O)N 271570a_200011019289_100000697804 [0,2,0,0,0,0|2,0,0]=4 5653 B14R1.4522 CC(O)C=Cc1cnccc1C(=O)N 271570a_200011019289_100010205435 [0,2,0,0,0,0|2,0,0]=4 5654 B14R1.4522 CC(O)C=Cc1ncccc1C(=O)N 271570a_200011019289_100000162199 [0,2,0,0,0,0|2,0,0]=4 5655 B14R1.4522 CC(O)CNc1ccccc1C(=O)N 34a_100000185089_100011218427 [0,2,0,0,0,0|1,0,0]=3 5656 B14R1.4522 CC(O)CNc1cccnc1C(=O)N 27a_100000210904_200012359670 [0,2,0,0,0,0|2,0,0]=4 5657 B14R1.4522 CC(O)CNc1ccncc1C(=O)N 27a_100000210904_100000697804 [0,2,0,0,0,0|2,0,0]=4 5658 B14R1.4522 CC(O)CNc1ncccc1C(=O)N 27a_100000210904_100000162199 [0,2,0,0,0,0|2,0,0]=4 5659 B14R1.4522 CC(O)COc1ccccc1C(=O)N 34a_100000192804_100011218427 [0,2,0,0,0,0|0,0,0]=2 5660 B14R1.4522 CC(O)COc1ccccc1C(=O)N 7a_100000192804_100011218427 [0,2,0,0,0,0|0,0,0]=2 5661 B14R1.4522 CC(O)COc1ccccc1C(=O)[O-] 7a_100015234032_100011218427 [0,2,0,0,0,0|1,0,0]=3 5662 B14R1.4522 CC(O)COc1ccccc1C(=S)N 7a_100000745089_100011218427 [0,2,0,0,0,0|0,1,0]=3 5663 B14R1.4522 CC(O)COc1ccccc1[C@@H](C)N 34a_100025703389_100011218427 [0,2,0,0,0,0|1,0,1]=4 5664 B14R1.4522 CC(O)COc1ccccc1[N+](=O)[O-] 34a_100000186319_100011218427 [0,2,0,0,0,0|2,0,0]=4 5665 B14R1.4522 CC(O)COc1ccccc1[N+](=O)[O-] 7a_100000186319_100011218427 [0,2,0,0,0,0|2,0,0]=4 5666 B14R1.4522 CC(O)COc1cccnc1C(=O)N 34a_200011215183_100011218427 [0,2,0,0,0,0|1,0,0]=3 5667 B14R1.4522 CC(O)COc1cccnc1C(=O)N 7a_200011215183_100011218427 [0,2,0,0,0,0|1,0,0]=3 5668 B14R1.4522 CC(O)COc1ccncc1C(=O)N 34a_200011998761_100011218427 [0,2,0,0,0,0|1,0,0]=3 5669 B14R1.4522 CC(O)COc1cnccc1C(=O)N 7a_100012022987_100011218427 [0,2,0,0,0,0|1,0,0]=3 5670 B14R1.4522 CC(O)COc1nccnc1C(=O)N 34a_100011830332_100011218427 [0,2,0,0,0,0|2,0,0]=4 5671 B14R1.4522 CC(O)CSc1ccccc1C(=O)N 62a_100000162227_100011218427 [0,2,0,0,0,0|0,1,0]=3 5672 B14R1.4522 CC(O)CSc1ccccc1C(=O)N 62a_100011218427_100000162227 [0,2,0,0,0,0|0,1,0]=3 5673 B14R1.4522 CC(O)CSc1ccccc1C(=O)O 62a_100011218427_100000734275 [0,2,0,0,0,0|1,1,0]=4 5674 B14R1.4522 CC(O)CSc1ccccc1C(=O)O 62a_202125556159_100011218427 [0,2,0,0,0,0|1,1,0]=4 5675 B14R1.4522 CC(O)CSc1cccnc1C(=O)N 62a_100011218427_200012359670 [0,2,0,0,0,0|1,1,0]=4 5676 B14R1.4522 CC(O)CSc1cccnc1C(=O)N 62a_200012359670_100011218427 [0,2,0,0,0,0|1,1,0]=4 5677 B14R1.4522 CC(O)CSc1ccncc1C(=O)N 62a_100000697804_100011218427 [0,2,0,0,0,0|1,1,0]=4 5678 B14R1.4522 CC(O)CSc1ccncc1C(=O)N 62a_100011218427_100000697804 [0,2,0,0,0,0|1,1,0]=4 5679 B14R1.4522 CC(O)CSc1cnccc1C(=O)N 62a_100010205435_100011218427 [0,2,0,0,0,0|1,1,0]=4 5680 B14R1.4522 CC(O)CSc1cnccc1C(=O)N 62a_100011218427_100010205435 [0,2,0,0,0,0|1,1,0]=4 5681 B14R1.4522 CC(O)CSc1ncccc1C(=O)N 62a_100000162199_100011218427 [0,2,0,0,0,0|1,1,0]=4 5682 B14R1.4522 CC(O)CSc1ncccc1C(=O)N 62a_100011218427_100000162199 [0,2,0,0,0,0|1,1,0]=4 5683 B14R1.4522 C[C@@H](N)c1ccccc1OCC(F)F 34a_100025703389_100011934356 [0,2,0,0,0,0|1,0,1]=4 5684 B14R1.4522 C[C@@H](O)CNc1ccccc1C(=O)N 34a_100000185089_100009817552 [0,2,0,0,0,0|1,0,0]=3 5685 B14R1.4522 C[C@@H](O)COc1ccccc1C(=O)N 34a_100000192804_100009817552 [0,2,0,0,0,0|0,0,0]=2 5686 B14R1.4522 C[C@@H](O)COc1ccccc1C(=O)N 7a_100000192804_100009817552 [0,2,0,0,0,0|0,0,0]=2 5687 B14R1.4522 C[C@@H](O)COc1ccccc1C(=O)[O-] 7a_100015234032_100009817552 [0,2,0,0,0,0|1,0,0]=3 5688 B14R1.4522 C[C@@H](O)COc1ccccc1C(=S)N 7a_100000745089_100009817552 [0,2,0,0,0,0|0,1,0]=3 5689 B14R1.4522 C[C@@H](O)COc1ccccc1[C@@H](C)N 34a_100025703389_100009817552 [0,2,0,0,0,0|1,0,1]=4 5690 B14R1.4522 C[C@@H](O)COc1ccccc1[N+](=O)[O-] 34a_100000186319_100009817552 [0,2,0,0,0,0|2,0,0]=4 5691 B14R1.4522 C[C@@H](O)COc1ccccc1[N+](=O)[O-] 7a_100000186319_100009817552 [0,2,0,0,0,0|2,0,0]=4 5692 B14R1.4522 C[C@@H](O)COc1cccnc1C(=O)N 34a_200011215183_100009817552 [0,2,0,0,0,0|1,0,0]=3 5693 B14R1.4522 C[C@@H](O)COc1cccnc1C(=O)N 7a_200011215183_100009817552 [0,2,0,0,0,0|1,0,0]=3 5694 B14R1.4522 C[C@@H](O)COc1ccncc1C(=O)N 34a_200011998761_100009817552 [0,2,0,0,0,0|1,0,0]=3 5695 B14R1.4522 C[C@@H](O)COc1cnccc1C(=O)N 7a_100012022987_100009817552 [0,2,0,0,0,0|1,0,0]=3 5696 B14R1.4522 C[C@@H](O)COc1nccnc1C(=O)N 34a_100011830332_100009817552 [0,2,0,0,0,0|2,0,0]=4 5697 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)N 62a_100000162227_100009817552 [0,2,0,0,0,0|0,1,0]=3 5698 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)N 62a_100009817552_100000162227 [0,2,0,0,0,0|0,1,0]=3 5699 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)O 62a_100009817552_100000734275 [0,2,0,0,0,0|1,1,0]=4 5700 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)O 62a_202125556159_100009817552 [0,2,0,0,0,0|1,1,0]=4 5701 B14R1.4522 C[C@@H](O)CSc1cccnc1C(=O)N 62a_100009817552_200012359670 [0,2,0,0,0,0|1,1,0]=4 5702 B14R1.4522 C[C@@H](O)CSc1cccnc1C(=O)N 62a_200012359670_100009817552 [0,2,0,0,0,0|1,1,0]=4 5703 B14R1.4522 C[C@@H](O)CSc1ccncc1C(=O)N 62a_100000697804_100009817552 [0,2,0,0,0,0|1,1,0]=4 5704 B14R1.4522 C[C@@H](O)CSc1ccncc1C(=O)N 62a_100009817552_100000697804 [0,2,0,0,0,0|1,1,0]=4 5705 B14R1.4522 C[C@@H](O)CSc1cnccc1C(=O)N 62a_100009817552_100010205435 [0,2,0,0,0,0|1,1,0]=4 5706 B14R1.4522 C[C@@H](O)CSc1cnccc1C(=O)N 62a_100010205435_100009817552 [0,2,0,0,0,0|1,1,0]=4 5707 B14R1.4522 C[C@@H](O)CSc1ncccc1C(=O)N 62a_100000162199_100009817552 [0,2,0,0,0,0|1,1,0]=4 5708 B14R1.4522 C[C@@H](O)CSc1ncccc1C(=O)N 62a_100009817552_100000162199 [0,2,0,0,0,0|1,1,0]=4 5709 B14R1.4522 NC(=O)CNc1ccccc1C(=O)N 34a_100000185089_100000187820 [0,2,0,0,0,0|1,0,1]=4 5710 B14R1.4522 NC(=O)COc1ccccc1C(=O)N 34a_100000192804_100000187820 [0,2,0,0,0,0|0,0,1]=3 5711 B14R1.4522 NC(=O)COc1ccccc1C(=O)N 7a_100000192804_100000187820 [0,2,0,0,0,0|0,0,1]=3 5712 B14R1.4522 NC(=O)COc1ccccc1C(=O)[O-] 7a_100015234032_100000187820 [0,2,0,0,0,0|1,0,1]=4 5713 B14R1.4522 NC(=O)COc1ccccc1C(=S)N 7a_100000745089_100000187820 [0,2,0,0,0,0|0,1,1]=4 5714 B14R1.4522 NC(=O)COc1cccnc1C(=O)N 34a_200011215183_100000187820 [0,2,0,0,0,0|1,0,1]=4 5715 B14R1.4522 NC(=O)COc1cccnc1C(=O)N 7a_200011215183_100000187820 [0,2,0,0,0,0|1,0,1]=4 5716 B14R1.4522 NC(=O)COc1ccncc1C(=O)N 34a_200011998761_100000187820 [0,2,0,0,0,0|1,0,1]=4 5717 B14R1.4522 NC(=O)COc1cnccc1C(=O)N 7a_100012022987_100000187820 [0,2,0,0,0,0|1,0,1]=4 5718 B14R1.4522 NC(=O)CSc1ccccc1C(=O)N 62a_100000162227_100000747473 [0,2,0,0,0,0|0,1,1]=4 5719 B14R1.4522 NC(=O)CSc1ccccc1C(=O)N 62a_100000747473_100000162227 [0,2,0,0,0,0|0,1,1]=4 5720 B14R1.4522 NC(=O)c1ccccc1NCC(=O)[O-] 34a_100000185089_100020667443 [0,2,0,0,0,0|1,0,1]=4 5721 B14R1.4522 NC(=O)c1ccccc1NCC(F)F 34a_100000185089_100011934356 [0,2,0,0,0,0|1,0,0]=3 5722 B14R1.4522 NC(=O)c1ccccc1NC[N+](=O)[O-] 34a_100000185089_100000761209 [0,2,0,0,0,0|2,0,0]=4 5723 B14R1.4522 NC(=O)c1ccccc1OCC(=O)[O-] 34a_100000192804_100020667443 [0,2,0,0,0,0|0,0,1]=3 5724 B14R1.4522 NC(=O)c1ccccc1OCC(F)F 34a_100000192804_100011934356 [0,2,0,0,0,0|0,0,0]=2 5725 B14R1.4522 NC(=O)c1ccccc1OCC(F)F 7a_100000192804_100011934356 [0,2,0,0,0,0|0,0,0]=2 5726 B14R1.4522 NC(=O)c1ccccc1OC[N+](=O)[O-] 34a_100000192804_100000761209 [0,2,0,0,0,0|1,0,0]=3 5727 B14R1.4522 NC(=O)c1ccccc1SCC(=O)[O-] 62a_100000162227_100020667443 [0,2,0,0,0,0|0,1,1]=4 5728 B14R1.4522 NC(=O)c1ccccc1SCC(=O)[O-] 62a_100020667443_100000162227 [0,2,0,0,0,0|0,1,1]=4 5729 B14R1.4522 NC(=O)c1ccccc1SCC(F)F 62a_100000162227_100011934356 [0,2,0,0,0,0|0,1,0]=3 5730 B14R1.4522 NC(=O)c1ccccc1SCC(F)F 62a_100011934356_100000162227 [0,2,0,0,0,0|0,1,0]=3 5731 B14R1.4522 NC(=O)c1ccccc1SC[N+](=O)[O-] 62a_100000162227_100000761209 [0,2,0,0,0,0|1,1,0]=4 5732 B14R1.4522 NC(=O)c1cccnc1NCC(F)F 27a_100000765723_100000162199 [0,2,0,0,0,0|2,0,0]=4 5733 B14R1.4522 NC(=O)c1cccnc1SCC(F)F 62a_100000162199_100011934356 [0,2,0,0,0,0|1,1,0]=4 5734 B14R1.4522 NC(=O)c1cccnc1SCC(F)F 62a_100011934356_100000162199 [0,2,0,0,0,0|1,1,0]=4 5735 B14R1.4522 NC(=O)c1ccncc1OCC(F)F 7a_100012022987_100011934356 [0,2,0,0,0,0|1,0,0]=3 5736 B14R1.4522 NC(=O)c1ccncc1SCC(F)F 62a_100010205435_100011934356 [0,2,0,0,0,0|1,1,0]=4 5737 B14R1.4522 NC(=O)c1ccncc1SCC(F)F 62a_100011934356_100010205435 [0,2,0,0,0,0|1,1,0]=4 5738 B14R1.4522 NC(=O)c1cnccc1NCC(F)F 27a_100000765723_100000697804 [0,2,0,0,0,0|2,0,0]=4 5739 B14R1.4522 NC(=O)c1cnccc1OCC(=O)[O-] 34a_200011998761_100020667443 [0,2,0,0,0,0|1,0,1]=4 5740 B14R1.4522 NC(=O)c1cnccc1OCC(F)F 34a_200011998761_100011934356 [0,2,0,0,0,0|1,0,0]=3 5741 B14R1.4522 NC(=O)c1cnccc1OC[N+](=O)[O-] 34a_200011998761_100000761209 [0,2,0,0,0,0|2,0,0]=4 5742 B14R1.4522 NC(=O)c1cnccc1SCC(F)F 62a_100000697804_100011934356 [0,2,0,0,0,0|1,1,0]=4 5743 B14R1.4522 NC(=O)c1cnccc1SCC(F)F 62a_100011934356_100000697804 [0,2,0,0,0,0|1,1,0]=4 5744 B14R1.4522 NC(=O)c1ncccc1NCC(F)F 27a_100000765723_200012359670 [0,2,0,0,0,0|2,0,0]=4 5745 B14R1.4522 NC(=O)c1ncccc1OCC(=O)[O-] 34a_200011215183_100020667443 [0,2,0,0,0,0|1,0,1]=4 5746 B14R1.4522 NC(=O)c1ncccc1OCC(F)F 34a_200011215183_100011934356 [0,2,0,0,0,0|1,0,0]=3 5747 B14R1.4522 NC(=O)c1ncccc1OCC(F)F 7a_200011215183_100011934356 [0,2,0,0,0,0|1,0,0]=3 5748 B14R1.4522 NC(=O)c1ncccc1OC[N+](=O)[O-] 34a_200011215183_100000761209 [0,2,0,0,0,0|2,0,0]=4 5749 B14R1.4522 NC(=O)c1ncccc1SCC(F)F 62a_100011934356_200012359670 [0,2,0,0,0,0|1,1,0]=4 5750 B14R1.4522 NC(=O)c1ncccc1SCC(F)F 62a_200012359670_100011934356 [0,2,0,0,0,0|1,1,0]=4 5751 B14R1.4522 NC(=O)c1nccnc1OCC(F)F 34a_100011830332_100011934356 [0,2,0,0,0,0|2,0,0]=4 5752 B14R1.4522 NC(=S)c1ccccc1OCC(F)F 7a_100000745089_100011934356 [0,2,0,0,0,0|0,1,0]=3 5753 B14R1.4522 O=C(O)c1ccccc1SCC(F)F 62a_100011934356_100000734275 [0,2,0,0,0,0|1,1,0]=4 5754 B14R1.4522 O=C(O)c1ccccc1SCC(F)F 62a_202125556159_100011934356 [0,2,0,0,0,0|1,1,0]=4 5755 B14R1.4522 O=C([O-])c1ccccc1OCC(F)F 7a_100015234032_100011934356 [0,2,0,0,0,0|1,0,0]=3 5756 B14R1.4522 O=[N+]([O-])c1ccccc1OCC(F)F 34a_100000186319_100011934356 [0,2,0,0,0,0|2,0,0]=4 5757 B14R1.4522 O=[N+]([O-])c1ccccc1OCC(F)F 7a_100000186319_100011934356 [0,2,0,0,0,0|2,0,0]=4 5758 B14R1.4522 [13CH3]C(=O)COc1ccccc1C(=O)N 1458a_100000182327_200025704644 [0,2,0,0,0,0|0,0,0]=2 5759 B14R1.4522 [13CH3]C(=O)COc1ccccc1[N+](=O)[O-] 1458a_100000182526_200025704644 [0,2,0,0,0,0|2,0,0]=4 5760 B14R1.7480 C#CCNc1c(cccc1C(=O)N)C 34a_100000223273_100000184674 [0,2,0,0,0,0|1,0,1]=4 5761 B14R1.7480 C#CCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100000184674 [0,2,0,0,0,0|1,0,1]=4 5762 B14R1.7480 C#CCNc1c(cccc1C(=O)N)F 34a_100011722151_100000184674 [0,2,0,0,0,0|1,0,1]=4 5763 B14R1.7480 C#CCOc1c(cccc1C(=O)C)C 34a_100009847209_100000184674 [0,2,0,0,0,0|1,0,1]=4 5764 B14R1.7480 C#CCOc1c(cccc1C(=O)C)C 7a_100009847209_100000038162 [0,2,0,0,0,0|1,0,1]=4 5765 B14R1.7480 C#CCOc1c(cccc1C(=O)C)Cl 34a_100000043392_100000184674 [0,2,0,0,0,0|1,0,1]=4 5766 B14R1.7480 C#CCOc1c(cccc1C(=O)C)Cl 7a_100000043392_100000038162 [0,2,0,0,0,0|1,0,1]=4 5767 B14R1.7480 C#CCOc1c(cccc1C(=O)C)F 34a_100011246037_100000184674 [0,2,0,0,0,0|1,0,1]=4 5768 B14R1.7480 C#CCOc1c(cccc1C(=O)C)F 7a_100011246037_100000038162 [0,2,0,0,0,0|1,0,1]=4 5769 B14R1.7480 C#CCOc1c(cccc1C(=O)N)Cl 34a_100009868166_100000184674 [0,2,0,0,0,0|0,0,1]=3 5770 B14R1.7480 C#CCOc1c(cccc1C(=O)N)Cl 7a_100009868166_100000038162 [0,2,0,0,0,0|0,0,1]=3 5771 B14R1.7480 C#CCOc1c(cccc1C(=O)N)F 34a_100009886295_100000184674 [0,2,0,0,0,0|0,0,1]=3 5772 B14R1.7480 C#CCOc1c(cccc1C(=O)N)F 7a_100009886295_100000038162 [0,2,0,0,0,0|0,0,1]=3 5773 B14R1.7480 C#CCSc1c(cccc1C(=O)N)C 62a_100000038162_200011409216 [0,2,0,0,0,0|0,1,1]=4 5774 B14R1.7480 C#CCSc1c(cccc1C(=O)N)F 62a_100000038162_200012351544 [0,2,0,0,0,0|0,1,1]=4 5775 B14R1.7480 C=CCNc1c(cccc1C(=O)N)C 34a_100000223273_100015514636 [0,2,0,0,0,0|1,0,1]=4 5776 B14R1.7480 C=CCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100015514636 [0,2,0,0,0,0|1,0,1]=4 5777 B14R1.7480 C=CCNc1c(cccc1C(=O)N)F 34a_100011722151_100015514636 [0,2,0,0,0,0|1,0,1]=4 5778 B14R1.7480 C=CCOc1c(cccc1C(=O)C)C 34a_100009847209_100015514636 [0,2,0,0,0,0|1,0,1]=4 5779 B14R1.7480 C=CCOc1c(cccc1C(=O)C)C 7a_100009847209_100015514636 [0,2,0,0,0,0|1,0,1]=4 5780 B14R1.7480 C=CCOc1c(cccc1C(=O)C)Cl 34a_100000043392_100015514636 [0,2,0,0,0,0|1,0,1]=4 5781 B14R1.7480 C=CCOc1c(cccc1C(=O)C)Cl 7a_100000043392_100015514636 [0,2,0,0,0,0|1,0,1]=4 5782 B14R1.7480 C=CCOc1c(cccc1C(=O)C)F 34a_100011246037_100015514636 [0,2,0,0,0,0|1,0,1]=4 5783 B14R1.7480 C=CCOc1c(cccc1C(=O)C)F 7a_100011246037_100015514636 [0,2,0,0,0,0|1,0,1]=4 5784 B14R1.7480 C=CCOc1c(cccc1C(=O)N)Cl 34a_100009868166_100015514636 [0,2,0,0,0,0|0,0,1]=3 5785 B14R1.7480 C=CCOc1c(cccc1C(=O)N)Cl 7a_100009868166_100015514636 [0,2,0,0,0,0|0,0,1]=3 5786 B14R1.7480 C=CCOc1c(cccc1C(=O)N)F 34a_100009886295_100015514636 [0,2,0,0,0,0|0,0,1]=3 5787 B14R1.7480 C=CCOc1c(cccc1C(=O)N)F 7a_100009886295_100015514636 [0,2,0,0,0,0|0,0,1]=3 5788 B14R1.7480 C=CCSc1c(cccc1C(=O)N)C 62a_100000210623_200011409216 [0,2,0,0,0,0|0,1,1]=4 5789 B14R1.7480 C=CCSc1c(cccc1C(=O)N)C 62a_200011409216_100000210623 [0,2,0,0,0,0|0,1,1]=4 5790 B14R1.7480 C=CCSc1c(cccc1C(=O)N)F 62a_100000210623_200012351544 [0,2,0,0,0,0|0,1,1]=4 5791 B14R1.7480 C=CCSc1c(cccc1C(=O)N)F 62a_200012351544_100000210623 [0,2,0,0,0,0|0,1,1]=4 5792 B14R1.7480 CC(=O)c1cccc(c1OCC#N)C 7a_100009847209_100011215382 [0,2,0,0,0,0|1,0,1]=4 5793 B14R1.7480 CC(=O)c1cccc(c1OCC#N)Cl 7a_100000043392_100011215382 [0,2,0,0,0,0|1,0,1]=4 5794 B14R1.7480 CC(=O)c1cccc(c1OCC#N)F 7a_100011246037_100011215382 [0,2,0,0,0,0|1,0,1]=4 5795 B14R1.7480 CC(=O)c1cccc(c1OCC=O)C 34a_100009847209_200009817547 [0,2,0,0,0,0|1,0,1]=4 5796 B14R1.7480 CC(=O)c1cccc(c1OCC=O)C 7a_100009847209_200015260668 [0,2,0,0,0,0|1,0,1]=4 5797 B14R1.7480 CC(=O)c1cccc(c1OCC=O)Cl 34a_100000043392_200009817547 [0,2,0,0,0,0|1,0,1]=4 5798 B14R1.7480 CC(=O)c1cccc(c1OCC=O)Cl 7a_100000043392_200015260668 [0,2,0,0,0,0|1,0,1]=4 5799 B14R1.7480 CC(=O)c1cccc(c1OCC=O)F 34a_100011246037_200009817547 [0,2,0,0,0,0|1,0,1]=4 5800 B14R1.7480 CC(=O)c1cccc(c1OCC=O)F 7a_100011246037_200015260668 [0,2,0,0,0,0|1,0,1]=4 5801 B14R1.7480 CC(=O)c1cccc(c1OCCF)C 34a_100009847209_100011217306 [0,2,0,0,0,0|1,0,0]=3 5802 B14R1.7480 CC(=O)c1cccc(c1OCCF)C 7a_100009847209_100011217306 [0,2,0,0,0,0|1,0,0]=3 5803 B14R1.7480 CC(=O)c1cccc(c1OCCF)Cl 34a_100000043392_100011217306 [0,2,0,0,0,0|1,0,0]=3 5804 B14R1.7480 CC(=O)c1cccc(c1OCCF)Cl 7a_100000043392_100011217306 [0,2,0,0,0,0|1,0,0]=3 5805 B14R1.7480 CC(=O)c1cccc(c1OCCF)F 34a_100011246037_100011217306 [0,2,0,0,0,0|1,0,0]=3 5806 B14R1.7480 CC(=O)c1cccc(c1OCCF)F 7a_100011246037_100011217306 [0,2,0,0,0,0|1,0,0]=3 5807 B14R1.7480 CC(=O)c1cccc(c1OCCO)C 34a_100009847209_100000211926 [0,2,0,0,0,0|1,0,0]=3 5808 B14R1.7480 CC(=O)c1cccc(c1OCCO)C 7a_100009847209_100000211926 [0,2,0,0,0,0|1,0,0]=3 5809 B14R1.7480 CC(=O)c1cccc(c1OCCO)Cl 34a_100000043392_100000211926 [0,2,0,0,0,0|1,0,0]=3 5810 B14R1.7480 CC(=O)c1cccc(c1OCCO)Cl 7a_100000043392_100000211926 [0,2,0,0,0,0|1,0,0]=3 5811 B14R1.7480 CC(=O)c1cccc(c1OCCO)F 34a_100011246037_100000211926 [0,2,0,0,0,0|1,0,0]=3 5812 B14R1.7480 CC(=O)c1cccc(c1OCCO)F 7a_100011246037_100000211926 [0,2,0,0,0,0|1,0,0]=3 5813 B14R1.7480 CC(=O)c1cccc(c1SCCF)F 62a_100011217306_100012362612 [0,2,0,0,0,0|1,1,0]=4 5814 B14R1.7480 CC(=O)c1cccc(c1SCCF)F 62a_100012362612_100011217306 [0,2,0,0,0,0|1,1,0]=4 5815 B14R1.7480 CC(=O)c1cccc(c1SCCO)F 62a_100000211926_100012362612 [0,2,0,0,0,0|1,1,0]=4 5816 B14R1.7480 CC(=O)c1cccc(c1SCCO)F 62a_100012362612_100000211926 [0,2,0,0,0,0|1,1,0]=4 5817 B14R1.7480 CCCCc1c(cccc1C(=O)C)F 271570a_100020621405_100012362612 [0,2,0,0,0,0|2,0,0]=4 5818 B14R1.7480 CCCCc1c(cccc1C(=O)N)C 271570a_100020621405_200011409216 [0,2,0,0,0,0|1,0,0]=3 5819 B14R1.7480 CCCCc1c(cccc1C(=O)N)F 271570a_100020621405_200012351544 [0,2,0,0,0,0|1,0,0]=3 5820 B14R1.7480 CCCNc1c(cccc1C(=O)N)C 34a_100000223273_100000210303 [0,2,0,0,0,0|1,0,0]=3 5821 B14R1.7480 CCCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100000210303 [0,2,0,0,0,0|1,0,0]=3 5822 B14R1.7480 CCCNc1c(cccc1C(=O)N)F 34a_100011722151_100000210303 [0,2,0,0,0,0|1,0,0]=3 5823 B14R1.7480 CCCOc1c(cccc1C(=O)C)C 34a_100009847209_100000210303 [0,2,0,0,0,0|1,0,0]=3 5824 B14R1.7480 CCCOc1c(cccc1C(=O)C)C 7a_100009847209_100000210303 [0,2,0,0,0,0|1,0,0]=3 5825 B14R1.7480 CCCOc1c(cccc1C(=O)C)Cl 34a_100000043392_100000210303 [0,2,0,0,0,0|1,0,0]=3 5826 B14R1.7480 CCCOc1c(cccc1C(=O)C)Cl 7a_100000043392_100000210303 [0,2,0,0,0,0|1,0,0]=3 5827 B14R1.7480 CCCOc1c(cccc1C(=O)C)F 34a_100011246037_100000210303 [0,2,0,0,0,0|1,0,0]=3 5828 B14R1.7480 CCCOc1c(cccc1C(=O)C)F 7a_100011246037_100000210303 [0,2,0,0,0,0|1,0,0]=3 5829 B14R1.7480 CCCOc1c(cccc1C(=O)N)Cl 34a_100009868166_100000210303 [0,2,0,0,0,0|0,0,0]=2 5830 B14R1.7480 CCCOc1c(cccc1C(=O)N)Cl 7a_100009868166_100000210303 [0,2,0,0,0,0|0,0,0]=2 5831 B14R1.7480 CCCOc1c(cccc1C(=O)N)F 34a_100009886295_100000210303 [0,2,0,0,0,0|0,0,0]=2 5832 B14R1.7480 CCCOc1c(cccc1C(=O)N)F 7a_100009886295_100000210303 [0,2,0,0,0,0|0,0,0]=2 5833 B14R1.7480 CCCOc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_100000210303 [0,2,0,0,0,0|2,0,0]=4 5834 B14R1.7480 CCCOc1c(cccc1[N+](=O)[O-])C 34a_100000763257_100000210303 [0,2,0,0,0,0|2,0,0]=4 5835 B14R1.7480 CCCOc1c(cccc1[N+](=O)[O-])C 7a_100000763257_100000210303 [0,2,0,0,0,0|2,0,0]=4 5836 B14R1.7480 CCCOc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_100000210303 [0,2,0,0,0,0|2,0,0]=4 5837 B14R1.7480 CCCOc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_100000210303 [0,2,0,0,0,0|2,0,0]=4 5838 B14R1.7480 CCCOc1c(cccc1[N+](=O)[O-])F 34a_100000690172_100000210303 [0,2,0,0,0,0|2,0,0]=4 5839 B14R1.7480 CCCSc1c(cccc1C(=O)C)F 62a_100000210303_100012362612 [0,2,0,0,0,0|1,1,0]=4 5840 B14R1.7480 CCCSc1c(cccc1C(=O)C)F 62a_100012362612_100000210303 [0,2,0,0,0,0|1,1,0]=4 5841 B14R1.7480 CCCSc1c(cccc1C(=O)N)C 62a_100000210303_200011409216 [0,2,0,0,0,0|0,1,0]=3 5842 B14R1.7480 CCCSc1c(cccc1C(=O)N)C 62a_200011409216_100000210303 [0,2,0,0,0,0|0,1,0]=3 5843 B14R1.7480 CCCSc1c(cccc1C(=O)N)F 62a_100000210303_200012351544 [0,2,0,0,0,0|0,1,0]=3 5844 B14R1.7480 CCCSc1c(cccc1C(=O)N)F 62a_200012351544_100000210303 [0,2,0,0,0,0|0,1,0]=3 5845 B14R1.7480 CCOCc1c(cccc1[N+](=O)[O-])Br 34a_100121572206_100011273477 [0,2,0,0,0,0|2,0,0]=4 5846 B14R1.7480 CCOCc1c(cccc1[N+](=O)[O-])C 34a_100009850887_100000210202 [0,2,0,0,0,0|2,0,0]=4 5847 B14R1.7480 CCOCc1c(cccc1[N+](=O)[O-])C 34a_100121572206_100010254497 [0,2,0,0,0,0|2,0,0]=4 5848 B14R1.7480 CCOCc1c(cccc1[N+](=O)[O-])C 7a_100009850887_100000210202 [0,2,0,0,0,0|2,0,0]=4 5849 B14R1.7480 CCOCc1c(cccc1[N+](=O)[O-])Cl 34a_100121572206_100000753779 [0,2,0,0,0,0|2,0,0]=4 5850 B14R1.7480 CCOCc1c(cccc1[N+](=O)[O-])Cl 7a_100011916443_100000210202 [0,2,0,0,0,0|2,0,0]=4 5851 B14R1.7480 CCOCc1c(cccc1[N+](=O)[O-])F 34a_100000102360_100000210202 [0,2,0,0,0,0|2,0,0]=4 5852 B14R1.7480 CCOCc1c(cccc1[N+](=O)[O-])F 34a_100121572206_100000751461 [0,2,0,0,0,0|2,0,0]=4 5853 B14R1.7480 CCOCc1c(cccc1[N+](=O)[O-])F 7a_100000102360_100000210202 [0,2,0,0,0,0|2,0,0]=4 5854 B14R1.7480 COCSc1c(cccc1C(=O)C)F 62a_100000766300_100012362612 [0,2,0,0,0,0|1,1,0]=4 5855 B14R1.7480 COCSc1c(cccc1C(=O)C)F 62a_100012362612_100000766300 [0,2,0,0,0,0|1,1,0]=4 5856 B14R1.7480 COCSc1c(cccc1C(=O)N)C 62a_100000766300_200011409216 [0,2,0,0,0,0|0,1,0]=3 5857 B14R1.7480 COCSc1c(cccc1C(=O)N)C 62a_200011409216_100000766300 [0,2,0,0,0,0|0,1,0]=3 5858 B14R1.7480 COCSc1c(cccc1C(=O)N)F 62a_100000766300_200012351544 [0,2,0,0,0,0|0,1,0]=3 5859 B14R1.7480 COCSc1c(cccc1C(=O)N)F 62a_200012351544_100000766300 [0,2,0,0,0,0|0,1,0]=3 5860 B14R1.7480 CSCNc1c(cccc1C(=O)N)C 34a_100000223273_100011218213 [0,2,0,0,0,0|1,0,0]=3 5861 B14R1.7480 CSCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100011218213 [0,2,0,0,0,0|1,0,0]=3 5862 B14R1.7480 CSCNc1c(cccc1C(=O)N)F 34a_100011722151_100011218213 [0,2,0,0,0,0|1,0,0]=3 5863 B14R1.7480 CSCOc1c(cccc1C(=O)C)C 34a_100009847209_100011218213 [0,2,0,0,0,0|1,0,0]=3 5864 B14R1.7480 CSCOc1c(cccc1C(=O)C)Cl 34a_100000043392_100011218213 [0,2,0,0,0,0|1,0,0]=3 5865 B14R1.7480 CSCOc1c(cccc1C(=O)C)F 34a_100011246037_100011218213 [0,2,0,0,0,0|1,0,0]=3 5866 B14R1.7480 CSCOc1c(cccc1C(=O)N)Cl 34a_100009868166_100011218213 [0,2,0,0,0,0|0,0,0]=2 5867 B14R1.7480 CSCOc1c(cccc1C(=O)N)F 34a_100009886295_100011218213 [0,2,0,0,0,0|0,0,0]=2 5868 B14R1.7480 CSCOc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_100011218213 [0,2,0,0,0,0|2,0,0]=4 5869 B14R1.7480 CSCOc1c(cccc1[N+](=O)[O-])C 34a_100000763257_100011218213 [0,2,0,0,0,0|2,0,0]=4 5870 B14R1.7480 CSCOc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_100011218213 [0,2,0,0,0,0|2,0,0]=4 5871 B14R1.7480 CSCOc1c(cccc1[N+](=O)[O-])F 34a_100000690172_100011218213 [0,2,0,0,0,0|2,0,0]=4 5872 B14R1.7480 CSCSc1c(cccc1C(=O)C)F 62a_100011218213_100012362612 [0,2,0,0,0,0|1,1,0]=4 5873 B14R1.7480 CSCSc1c(cccc1C(=O)C)F 62a_100012362612_100011218213 [0,2,0,0,0,0|1,1,0]=4 5874 B14R1.7480 CSCSc1c(cccc1C(=O)N)C 62a_100011218213_200011409216 [0,2,0,0,0,0|0,1,0]=3 5875 B14R1.7480 CSCSc1c(cccc1C(=O)N)C 62a_200011409216_100011218213 [0,2,0,0,0,0|0,1,0]=3 5876 B14R1.7480 CSCSc1c(cccc1C(=O)N)F 62a_100011218213_200012351544 [0,2,0,0,0,0|0,1,0]=3 5877 B14R1.7480 CSCSc1c(cccc1C(=O)N)F 62a_200012351544_100011218213 [0,2,0,0,0,0|0,1,0]=3 5878 B14R1.7480 Cc1cccc(c1NCC=O)C(=O)N 34a_100000223273_200009817547 [0,2,0,0,0,0|1,0,1]=4 5879 B14R1.7480 Cc1cccc(c1NCCF)C(=O)N 34a_100000223273_100011217306 [0,2,0,0,0,0|1,0,0]=3 5880 B14R1.7480 Cc1cccc(c1NCCO)C(=O)N 34a_100000223273_100000211926 [0,2,0,0,0,0|1,0,0]=3 5881 B14R1.7480 Cc1cccc(c1OCCF)[N+](=O)[O-] 34a_100000763257_100011217306 [0,2,0,0,0,0|2,0,0]=4 5882 B14R1.7480 Cc1cccc(c1OCCF)[N+](=O)[O-] 7a_100000763257_100011217306 [0,2,0,0,0,0|2,0,0]=4 5883 B14R1.7480 Cc1cccc(c1OCCO)[N+](=O)[O-] 34a_100000763257_100000211926 [0,2,0,0,0,0|2,0,0]=4 5884 B14R1.7480 Cc1cccc(c1OCCO)[N+](=O)[O-] 7a_100000763257_100000211926 [0,2,0,0,0,0|2,0,0]=4 5885 B14R1.7480 Cc1cccc(c1SCC#N)C(=O)N 62a_100011215382_200011409216 [0,2,0,0,0,0|0,1,1]=4 5886 B14R1.7480 Cc1cccc(c1SCC#N)C(=O)N 62a_200011409216_100011215382 [0,2,0,0,0,0|0,1,1]=4 5887 B14R1.7480 Cc1cccc(c1SCC=O)C(=O)N 62a_200011409216_200015260668 [0,2,0,0,0,0|0,1,1]=4 5888 B14R1.7480 Cc1cccc(c1SCC=O)C(=O)N 62a_200015260668_200011409216 [0,2,0,0,0,0|0,1,1]=4 5889 B14R1.7480 Cc1cccc(c1SCCF)C(=O)N 62a_100011217306_200011409216 [0,2,0,0,0,0|0,1,0]=3 5890 B14R1.7480 Cc1cccc(c1SCCF)C(=O)N 62a_200011409216_100011217306 [0,2,0,0,0,0|0,1,0]=3 5891 B14R1.7480 Cc1cccc(c1SCCO)C(=O)N 62a_100000211926_200011409216 [0,2,0,0,0,0|0,1,0]=3 5892 B14R1.7480 Cc1cccc(c1SCCO)C(=O)N 62a_200011409216_100000211926 [0,2,0,0,0,0|0,1,0]=3 5893 B14R1.7480 N#CCOc1c(cccc1C(=O)N)Cl 7a_100009868166_100011215382 [0,2,0,0,0,0|0,0,1]=3 5894 B14R1.7480 N#CCOc1c(cccc1C(=O)N)F 7a_100009886295_100011215382 [0,2,0,0,0,0|0,0,1]=3 5895 B14R1.7480 N#CCSc1c(cccc1C(=O)N)F 62a_100011215382_200012351544 [0,2,0,0,0,0|0,1,1]=4 5896 B14R1.7480 N#CCSc1c(cccc1C(=O)N)F 62a_200012351544_100011215382 [0,2,0,0,0,0|0,1,1]=4 5897 B14R1.7480 NC(=O)c1cccc(c1NCC=O)Cl 34a_200011997947_200009817547 [0,2,0,0,0,0|1,0,1]=4 5898 B14R1.7480 NC(=O)c1cccc(c1NCC=O)F 34a_100011722151_200009817547 [0,2,0,0,0,0|1,0,1]=4 5899 B14R1.7480 NC(=O)c1cccc(c1NCCF)Cl 34a_200011997947_100011217306 [0,2,0,0,0,0|1,0,0]=3 5900 B14R1.7480 NC(=O)c1cccc(c1NCCF)F 34a_100011722151_100011217306 [0,2,0,0,0,0|1,0,0]=3 5901 B14R1.7480 NC(=O)c1cccc(c1NCCO)Cl 34a_200011997947_100000211926 [0,2,0,0,0,0|1,0,0]=3 5902 B14R1.7480 NC(=O)c1cccc(c1NCCO)F 34a_100011722151_100000211926 [0,2,0,0,0,0|1,0,0]=3 5903 B14R1.7480 NC(=O)c1cccc(c1OCC=O)Cl 34a_100009868166_200009817547 [0,2,0,0,0,0|0,0,1]=3 5904 B14R1.7480 NC(=O)c1cccc(c1OCC=O)Cl 7a_100009868166_200015260668 [0,2,0,0,0,0|0,0,1]=3 5905 B14R1.7480 NC(=O)c1cccc(c1OCC=O)F 34a_100009886295_200009817547 [0,2,0,0,0,0|0,0,1]=3 5906 B14R1.7480 NC(=O)c1cccc(c1OCC=O)F 7a_100009886295_200015260668 [0,2,0,0,0,0|0,0,1]=3 5907 B14R1.7480 NC(=O)c1cccc(c1OCCF)Cl 34a_100009868166_100011217306 [0,2,0,0,0,0|0,0,0]=2 5908 B14R1.7480 NC(=O)c1cccc(c1OCCF)Cl 7a_100009868166_100011217306 [0,2,0,0,0,0|0,0,0]=2 5909 B14R1.7480 NC(=O)c1cccc(c1OCCF)F 34a_100009886295_100011217306 [0,2,0,0,0,0|0,0,0]=2 5910 B14R1.7480 NC(=O)c1cccc(c1OCCF)F 7a_100009886295_100011217306 [0,2,0,0,0,0|0,0,0]=2 5911 B14R1.7480 NC(=O)c1cccc(c1OCCO)Cl 34a_100009868166_100000211926 [0,2,0,0,0,0|0,0,0]=2 5912 B14R1.7480 NC(=O)c1cccc(c1OCCO)Cl 7a_100009868166_100000211926 [0,2,0,0,0,0|0,0,0]=2 5913 B14R1.7480 NC(=O)c1cccc(c1OCCO)F 34a_100009886295_100000211926 [0,2,0,0,0,0|0,0,0]=2 5914 B14R1.7480 NC(=O)c1cccc(c1OCCO)F 7a_100009886295_100000211926 [0,2,0,0,0,0|0,0,0]=2 5915 B14R1.7480 NC(=O)c1cccc(c1SCC=O)F 62a_200012351544_200015260668 [0,2,0,0,0,0|0,1,1]=4 5916 B14R1.7480 NC(=O)c1cccc(c1SCC=O)F 62a_200015260668_200012351544 [0,2,0,0,0,0|0,1,1]=4 5917 B14R1.7480 NC(=O)c1cccc(c1SCCF)F 62a_100011217306_200012351544 [0,2,0,0,0,0|0,1,0]=3 5918 B14R1.7480 NC(=O)c1cccc(c1SCCF)F 62a_200012351544_100011217306 [0,2,0,0,0,0|0,1,0]=3 5919 B14R1.7480 NC(=O)c1cccc(c1SCCO)F 62a_100000211926_200012351544 [0,2,0,0,0,0|0,1,0]=3 5920 B14R1.7480 NC(=O)c1cccc(c1SCCO)F 62a_200012351544_100000211926 [0,2,0,0,0,0|0,1,0]=3 5921 B14R1.7480 O=[N+]([O-])c1cccc(c1OCCF)Br 34a_100000689966_100011217306 [0,2,0,0,0,0|2,0,0]=4 5922 B14R1.7480 O=[N+]([O-])c1cccc(c1OCCF)Cl 34a_100000686934_100011217306 [0,2,0,0,0,0|2,0,0]=4 5923 B14R1.7480 O=[N+]([O-])c1cccc(c1OCCF)Cl 7a_100000686934_100011217306 [0,2,0,0,0,0|2,0,0]=4 5924 B14R1.7480 O=[N+]([O-])c1cccc(c1OCCF)F 34a_100000690172_100011217306 [0,2,0,0,0,0|2,0,0]=4 5925 B14R1.7480 O=[N+]([O-])c1cccc(c1OCCO)Br 34a_100000689966_100000211926 [0,2,0,0,0,0|2,0,0]=4 5926 B14R1.7480 O=[N+]([O-])c1cccc(c1OCCO)Cl 34a_100000686934_100000211926 [0,2,0,0,0,0|2,0,0]=4 5927 B14R1.7480 O=[N+]([O-])c1cccc(c1OCCO)Cl 7a_100000686934_100000211926 [0,2,0,0,0,0|2,0,0]=4 5928 B14R1.7480 O=[N+]([O-])c1cccc(c1OCCO)F 34a_100000690172_100000211926 [0,2,0,0,0,0|2,0,0]=4 5929 B14R1.4894 C=C(C)c1cccc(c1OC(C)C)F 271570a_100000694244_200010078528 [0,2,0,0,0,0|2,0,0]=4 5930 B14R1.4894 CC(=Cc1c(cccc1C(=O)N)C)C 271570a_100102525489_200011409216 [0,2,0,0,0,0|1,0,1]=4 5931 B14R1.4894 CC(=Cc1c(cccc1C(=O)N)F)C 271570a_100102525489_200012351544 [0,2,0,0,0,0|1,0,1]=4 5932 B14R1.4894 CC(=O)Nc1c(cccc1C(=O)N)Br 1626a_100010144993_100015343762 [0,2,0,0,0,0|1,0,1]=4 5933 B14R1.4894 CC(=O)Nc1c(cccc1C(=O)N)C 1626a_100000223273_100015343762 [0,2,0,0,0,0|1,0,1]=4 5934 B14R1.4894 CC(=O)Nc1c(cccc1C(=O)N)Cl 1626a_200011997947_100015343762 [0,2,0,0,0,0|1,0,1]=4 5935 B14R1.4894 CC(=O)Nc1c(cccc1C(=O)N)F 1626a_100011722151_100015343762 [0,2,0,0,0,0|1,0,1]=4 5936 B14R1.4894 CC(=O)c1cccc(c1OC(C)C)C 34a_100009847209_100000210206 [0,2,0,0,0,0|1,0,0]=3 5937 B14R1.4894 CC(=O)c1cccc(c1OC(C)C)C 7a_100009847209_100000210206 [0,2,0,0,0,0|1,0,0]=3 5938 B14R1.4894 CC(=O)c1cccc(c1OC(C)C)Cl 34a_100000043392_100000210206 [0,2,0,0,0,0|1,0,0]=3 5939 B14R1.4894 CC(=O)c1cccc(c1OC(C)C)Cl 7a_100000043392_100000210206 [0,2,0,0,0,0|1,0,0]=3 5940 B14R1.4894 CC(=O)c1cccc(c1OC(C)C)F 34a_100011246037_100000210206 [0,2,0,0,0,0|1,0,0]=3 5941 B14R1.4894 CC(=O)c1cccc(c1OC(C)C)F 7a_100011246037_100000210206 [0,2,0,0,0,0|1,0,0]=3 5942 B14R1.4894 CC(=O)c1cccc(c1SC(C)C)F 62a_100000210206_100012362612 [0,2,0,0,0,0|1,1,0]=4 5943 B14R1.4894 CC(=O)c1cccc(c1SC(C)C)F 62a_100012362612_100000210206 [0,2,0,0,0,0|1,1,0]=4 5944 B14R1.4894 CC(C)Nc1c(cccc1C(=O)N)Cl 34a_200011997947_100000210206 [0,2,0,0,0,0|1,0,0]=3 5945 B14R1.4894 CC(C)Nc1c(cccc1C(=O)N)F 34a_100011722151_100000210206 [0,2,0,0,0,0|1,0,0]=3 5946 B14R1.4894 CC(C)Oc1c(cccc1C(=O)N)Cl 34a_100009868166_100000210206 [0,2,0,0,0,0|0,0,0]=2 5947 B14R1.4894 CC(C)Oc1c(cccc1C(=O)N)Cl 7a_100009868166_100000210206 [0,2,0,0,0,0|0,0,0]=2 5948 B14R1.4894 CC(C)Oc1c(cccc1C(=O)N)F 34a_100009886295_100000210206 [0,2,0,0,0,0|0,0,0]=2 5949 B14R1.4894 CC(C)Oc1c(cccc1C(=O)N)F 7a_100009886295_100000210206 [0,2,0,0,0,0|0,0,0]=2 5950 B14R1.4894 CC(C)Oc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_100000210206 [0,2,0,0,0,0|2,0,0]=4 5951 B14R1.4894 CC(C)Oc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_100000210206 [0,2,0,0,0,0|2,0,0]=4 5952 B14R1.4894 CC(C)Oc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_100000210206 [0,2,0,0,0,0|2,0,0]=4 5953 B14R1.4894 CC(C)Oc1c(cccc1[N+](=O)[O-])F 34a_100000690172_100000210206 [0,2,0,0,0,0|2,0,0]=4 5954 B14R1.4894 CC(C)Sc1c(cccc1C(=O)N)F 62a_100000210206_200012351544 [0,2,0,0,0,0|0,1,0]=3 5955 B14R1.4894 CC(C)Sc1c(cccc1C(=O)N)F 62a_200012351544_100000210206 [0,2,0,0,0,0|0,1,0]=3 5956 B14R1.4894 Cc1cccc(c1NC(C)C)C(=O)N 34a_100000223273_100000210206 [0,2,0,0,0,0|1,0,0]=3 5957 B14R1.4894 Cc1cccc(c1OC(C)C)[N+](=O)[O-] 34a_100000763257_100000210206 [0,2,0,0,0,0|2,0,0]=4 5958 B14R1.4894 Cc1cccc(c1OC(C)C)[N+](=O)[O-] 7a_100000763257_100000210206 [0,2,0,0,0,0|2,0,0]=4 5959 B14R1.4894 Cc1cccc(c1SC(C)C)C(=O)N 62a_100000210206_200011409216 [0,2,0,0,0,0|0,1,0]=3 5960 B14R1.4894 Cc1cccc(c1SC(C)C)C(=O)N 62a_200011409216_100000210206 [0,2,0,0,0,0|0,1,0]=3 5961 B14R1.4926 CC(=Cc1cccc(c1C(=O)N)Cl)C 271570a_100102525489_100010147686 [0,2,0,0,0,0|1,0,1]=4 5962 B14R1.4926 CC(=Cc1cccc(c1C(=O)N)F)C 271570a_100102525489_100011219063 [0,2,0,0,0,0|1,0,1]=4 5963 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)C 11a_100102558177_100015343762 [0,2,0,0,0,0|1,0,1]=4 5964 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)C 1626a_100102558177_100015343762 [0,2,0,0,0,0|1,0,1]=4 5965 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)C 22a_100102558177_100000070787 [0,2,0,0,0,0|1,0,1]=4 5966 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)Cl 11a_100000764435_100015343762 [0,2,0,0,0,0|1,0,1]=4 5967 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)Cl 1626a_100000764435_100015343762 [0,2,0,0,0,0|1,0,1]=4 5968 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)F 11a_100000036109_100015343762 [0,2,0,0,0,0|1,0,1]=4 5969 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)F 1626a_100000036109_100015343762 [0,2,0,0,0,0|1,0,1]=4 5970 B14R1.4926 CC(=O)Nc1cccc(c1C(=O)N)F 22a_100000036109_100000070787 [0,2,0,0,0,0|1,0,1]=4 5971 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)Br 34a_100010174959_100000210206 [0,2,0,0,0,0|1,0,0]=3 5972 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)Br 7a_100010174959_100000210206 [0,2,0,0,0,0|1,0,0]=3 5973 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)C 34a_100009860897_100000210206 [0,2,0,0,0,0|1,0,0]=3 5974 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)C 7a_100009860897_100000210206 [0,2,0,0,0,0|1,0,0]=3 5975 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)Cl 34a_100000730630_100000210206 [0,2,0,0,0,0|1,0,0]=3 5976 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)Cl 7a_100000730630_100000210206 [0,2,0,0,0,0|1,0,0]=3 5977 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)F 34a_100011216272_100000210206 [0,2,0,0,0,0|1,0,0]=3 5978 B14R1.4926 CC(=O)c1c(cccc1OC(C)C)F 7a_100011216272_100000210206 [0,2,0,0,0,0|1,0,0]=3 5979 B14R1.4926 CC(=O)c1c(cccc1SC(C)C)F 62a_100012351873_100000210206 [0,2,0,0,0,0|1,1,0]=4 5980 B14R1.4926 CC(C)Nc1cccc(c1C(=O)N)Cl 34a_100000764435_100000210206 [0,2,0,0,0,0|1,0,0]=3 5981 B14R1.4926 CC(C)Nc1cccc(c1C(=O)N)Cl 7a_100000764435_100000210206 [0,2,0,0,0,0|1,0,0]=3 5982 B14R1.4926 CC(C)Nc1cccc(c1C(=O)N)F 27a_100138425928_100011219063 [0,2,0,0,0,0|1,0,0]=3 5983 B14R1.4926 CC(C)Nc1cccc(c1C(=O)N)F 34a_100000036109_100000210206 [0,2,0,0,0,0|1,0,0]=3 5984 B14R1.4926 CC(C)Nc1cccc(c1C(=O)N)F 7a_100000036109_100000210206 [0,2,0,0,0,0|1,0,0]=3 5985 B14R1.4926 CC(C)Oc1cccc(c1C(=O)N)F 34a_100000701607_100000210206 [0,2,0,0,0,0|0,0,0]=2 5986 B14R1.4926 CC(C)Oc1cccc(c1C(=O)N)F 7a_100000701607_100000210206 [0,2,0,0,0,0|0,0,0]=2 5987 B14R1.4926 CC(C)Oc1cccc(c1[N+](=O)[O-])Br 34a_100011934925_100000210206 [0,2,0,0,0,0|2,0,0]=4 5988 B14R1.4926 CC(C)Oc1cccc(c1[N+](=O)[O-])Br 7a_100011934925_100000210206 [0,2,0,0,0,0|2,0,0]=4 5989 B14R1.4926 CC(C)Oc1cccc(c1[N+](=O)[O-])Cl 34a_100011999376_100000210206 [0,2,0,0,0,0|2,0,0]=4 5990 B14R1.4926 CC(C)Oc1cccc(c1[N+](=O)[O-])Cl 7a_100011999376_100000210206 [0,2,0,0,0,0|2,0,0]=4 5991 B14R1.4926 CC(C)Oc1cccc(c1[N+](=O)[O-])F 34a_100011217962_100000210206 [0,2,0,0,0,0|2,0,0]=4 5992 B14R1.4926 CC(C)Oc1cccc(c1[N+](=O)[O-])F 7a_100011217962_100000210206 [0,2,0,0,0,0|2,0,0]=4 5993 B14R1.4926 CC(C)Oc1cccc(c1[N+](=O)[O-])I 7a_100010150324_100000210206 [0,2,0,0,0,0|2,0,0]=4 5994 B14R1.4926 CC(C)Sc1cccc(c1C(=O)N)Cl 62a_100010147686_100000210206 [0,2,0,0,0,0|0,1,0]=3 5995 B14R1.4926 CC(C)Sc1cccc(c1C(=O)N)F 62a_100011219063_100000210206 [0,2,0,0,0,0|0,1,0]=3 5996 B14R1.4926 CC(C)Sc1cncc(c1C(=O)N)F 62a_100000210206_100010271514 [0,2,0,0,0,0|1,1,0]=4 5997 B14R1.4926 CC(C)Sc1cncc(c1C(=O)N)F 62a_100010271514_100000210206 [0,2,0,0,0,0|1,1,0]=4 5998 B14R1.4926 Cc1cccc(c1C(=O)N)NC(C)C 34a_100102558177_100000210206 [0,2,0,0,0,0|1,0,0]=3 5999 B14R1.4926 Cc1cccc(c1C(=O)N)NC(C)C 7a_100102558177_100000210206 [0,2,0,0,0,0|1,0,0]=3 6000 B14R1.4926 Cc1cccc(c1[N+](=O)[O-])OC(C)C 34a_100000740142_100000210206 [0,2,0,0,0,0|2,0,0]=4 6001 B14R1.4926 Cc1cccc(c1[N+](=O)[O-])OC(C)C 7a_100000740142_100000210206 [0,2,0,0,0,0|2,0,0]=4 6002 B14R1.6312 C=C(C)c1ccccc1OC(C)(C)C 271570a_100000694244_100010078496 [0,2,0,0,0,0|2,0,0]=4 6003 B14R1.6312 CC(=O)c1ccccc1CC(C)(C)C 1458a_100000092085_200000210301 [0,2,0,0,0,0|2,0,0]=4 6004 B14R1.6312 CC(=O)c1ccccc1OC(F)(F)F 1458a_100000246137_200000210301 [0,2,0,0,0,0|2,0,0]=4 6005 B14R1.6312 CC(=O)c1ccccc1SC(C)(C)C 62a_100000751169_100000211941 [0,2,0,0,0,0|1,1,0]=4 6006 B14R1.6312 CC(=O)c1ncccc1OC(C)(C)C 34a_100000087166_100000210625 [0,2,0,0,0,0|2,0,0]=4 6007 B14R1.6312 CC(C)(C)Cc1ccccc1C(=O)[13CH3] 1458a_100000092085_200025704644 [0,2,0,0,0,0|2,0,0]=4 6008 B14R1.6312 CC(C)(C)Nc1ccccc1C(=O)N 34a_100000185089_100000210625 [0,2,0,0,0,0|1,0,0]=3 6009 B14R1.6312 CC(C)(C)Oc1ccccc1C(=O)N 34a_100000192804_100000210625 [0,2,0,0,0,0|0,0,0]=2 6010 B14R1.6312 CC(C)(C)Oc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210625 [0,2,0,0,0,0|2,0,0]=4 6011 B14R1.6312 CC(C)(C)Oc1cccnc1C(=O)N 34a_200011215183_100000210625 [0,2,0,0,0,0|1,0,0]=3 6012 B14R1.6312 CC(C)(C)Oc1ccncc1C(=O)N 34a_200011998761_100000210625 [0,2,0,0,0,0|1,0,0]=3 6013 B14R1.6312 CC(C)(C)Oc1nccnc1C(=O)N 34a_100011830332_100000210625 [0,2,0,0,0,0|2,0,0]=4 6014 B14R1.6312 CC(C)(C)Sc1ccccc1C(=O)N 62a_100000162227_100000211941 [0,2,0,0,0,0|0,1,0]=3 6015 B14R1.6312 CC(C)(C)Sc1ccccc1C(=O)N 62a_100000211941_100000162227 [0,2,0,0,0,0|0,1,0]=3 6016 B14R1.6312 CC(C)(C)Sc1ccccc1C(=O)O 62a_100000211941_100000734275 [0,2,0,0,0,0|1,1,0]=4 6017 B14R1.6312 CC(C)(C)Sc1ccccc1C(=O)O 62a_202125556159_100000211941 [0,2,0,0,0,0|1,1,0]=4 6018 B14R1.6312 CC(C)(C)Sc1cccnc1C(=O)N 62a_100000211941_200012359670 [0,2,0,0,0,0|1,1,0]=4 6019 B14R1.6312 CC(C)(C)Sc1cccnc1C(=O)N 62a_200012359670_100000211941 [0,2,0,0,0,0|1,1,0]=4 6020 B14R1.6312 CC(C)(C)Sc1ccncc1C(=O)N 62a_100000211941_100000697804 [0,2,0,0,0,0|1,1,0]=4 6021 B14R1.6312 CC(C)(C)Sc1ccncc1C(=O)N 62a_100000697804_100000211941 [0,2,0,0,0,0|1,1,0]=4 6022 B14R1.6312 CC(C)(C)Sc1cnccc1C(=O)N 62a_100000211941_100010205435 [0,2,0,0,0,0|1,1,0]=4 6023 B14R1.6312 CC(C)(C)Sc1cnccc1C(=O)N 62a_100010205435_100000211941 [0,2,0,0,0,0|1,1,0]=4 6024 B14R1.6312 CC(C)(C)Sc1ncccc1C(=O)N 62a_100000162199_100000211941 [0,2,0,0,0,0|1,1,0]=4 6025 B14R1.6312 CC(C)(C)Sc1ncccc1C(=O)N 62a_100000211941_100000162199 [0,2,0,0,0,0|1,1,0]=4 6026 B14R1.6312 CS(=O)(=O)Nc1ccccc1C(=O)N 40a_100000185089_100000738038 [0,2,0,0,0,0|2,0,0]=4 6027 B14R1.6312 C[C@@H](N)c1ccccc1OC(C)(C)C 34a_100025703389_100000210625 [0,2,0,0,0,0|1,0,1]=4 6028 B14R1.6312 NC(=O)c1ccccc1NC(F)(F)F 34a_100000185089_200103152311 [0,2,0,0,0,0|2,0,0]=4 6029 B14R1.6312 NC(=O)c1ccccc1OC(F)(F)F 34a_100000192804_200103152311 [0,2,0,0,0,0|1,0,0]=3 6030 B14R1.6312 NC(=O)c1ccccc1OC(F)(F)F 7a_100000192804_200000243211 [0,2,0,0,0,0|1,0,0]=3 6031 B14R1.6312 NC(=O)c1ccccc1SC(F)(F)F 62a_100000162227_200103152311 [0,2,0,0,0,0|1,1,0]=4 6032 B14R1.6312 NC(=O)c1ccccc1SC(F)(F)F 62a_200000243211_100000162227 [0,2,0,0,0,0|1,1,0]=4 6033 B14R1.6312 NC(=O)c1ccncc1OC(F)(F)F 7a_100012022987_200000243211 [0,2,0,0,0,0|2,0,0]=4 6034 B14R1.6312 NC(=O)c1cnccc1OC(F)(F)F 34a_200011998761_200103152311 [0,2,0,0,0,0|2,0,0]=4 6035 B14R1.6312 NC(=O)c1ncccc1OC(F)(F)F 34a_200011215183_200103152311 [0,2,0,0,0,0|2,0,0]=4 6036 B14R1.6312 NC(=O)c1ncccc1OC(F)(F)F 7a_200011215183_200000243211 [0,2,0,0,0,0|2,0,0]=4 6037 B14R1.6312 NC(=S)c1ccccc1OC(F)(F)F 7a_100000745089_200000243211 [0,2,0,0,0,0|1,1,0]=4 6038 B14R1.6312 O=C([O-])c1ccccc1OC(F)(F)F 7a_100015234032_200000243211 [0,2,0,0,0,0|2,0,0]=4 6039 B14R1.6312 [13CH3]C(=O)c1ccccc1OC(F)(F)F 1458a_100000246137_200025704644 [0,2,0,0,0,0|2,0,0]=4 6040 B14R1.5136 CCOc1c(ccc(c1[N+](=O)[O-])C)C 34a_200009857858_100000210202 [0,2,0,0,0,0|2,0,0]=4 6041 B14R1.5136 CCOc1c(ccc(c1[N+](=O)[O-])C)C 7a_200009857858_100000210202 [0,2,0,0,0,0|2,0,0]=4 6042 B14R1.5136 CCOc1c(ccc(c1[N+](=O)[O-])F)F 34a_200010339200_100000210202 [0,2,0,0,0,0|2,0,0]=4 6043 B14R1.5565 CC=Cc1cccc(c1C(=O)N)OC 271570a_100016259895_200010146778 [0,2,0,0,0,0|1,0,1]=4 6044 B14R1.5565 CCNc1cccc(c1C(=O)N)OC 34a_200012186629_100000210202 [0,2,0,0,0,0|1,0,0]=3 6045 B14R1.5565 CCOc1cccc(c1C(=O)C)OC 34a_100000067948_200000210301 [0,2,0,0,0,0|1,0,0]=3 6046 B14R1.5565 CCOc1cccc(c1C(=O)C)OC 34a_100000691520_100000210202 [0,2,0,0,0,0|1,0,0]=3 6047 B14R1.5565 CCOc1cccc(c1C(=O)C)OC 7a_100000067948_200000210301 [0,2,0,0,0,0|1,0,0]=3 6048 B14R1.5565 CCOc1cccc(c1C(=O)C)OC 7a_100000691520_100000210202 [0,2,0,0,0,0|1,0,0]=3 6049 B14R1.5565 CCOc1cccc(c1C(=O)C)O[13CH3] 34a_100000067948_200025704644 [0,2,0,0,0,0|1,0,0]=3 6050 B14R1.5565 CCOc1cccc(c1C(=O)C)O[13CH3] 7a_100000067948_200025704644 [0,2,0,0,0,0|1,0,0]=3 6051 B14R1.5565 CCOc1cccc(c1[N+](=O)[O-])C#N 7a_100012000399_100000210202 [0,2,0,0,0,0|2,0,0]=4 6052 B14R1.5565 CCOc1cccc(c1[N+](=O)[O-])CO 7a_100000099161_100000210202 [0,2,0,0,0,0|2,0,0]=4 6053 B14R1.5565 CCOc1cccc(c1[N+](=O)[O-])OC 34a_200012185171_100000210202 [0,2,0,0,0,0|2,0,0]=4 6054 B14R1.5565 CCOc1cccc(c1[N+](=O)[O-])OC 7a_200012185171_100000210202 [0,2,0,0,0,0|2,0,0]=4 6055 B14R1.5565 CCSc1cccc(c1C(=O)C)OC 62a_100010725609_100000210202 [0,2,0,0,0,0|1,1,0]=4 6056 B14R1.5565 CCSc1cccc(c1C(=O)N)OC 62a_200010146778_100000210202 [0,2,0,0,0,0|0,1,0]=3 6057 B14R1.5565 COc1cccc(c1C(=O)C)OCF 34a_100000691520_100015361967 [0,2,0,0,0,0|2,0,0]=4 6058 B14R1.5565 COc1cccc(c1C(=O)C)OCF 7a_100000691520_100015361967 [0,2,0,0,0,0|2,0,0]=4 6059 B14R1.5565 COc1cccc(c1C(=O)N)NCF 34a_200012186629_100015361967 [0,2,0,0,0,0|2,0,0]=4 6060 B14R1.5565 COc1cccc(c1C(=O)N)SCF 62a_200010146778_100015361967 [0,2,0,0,0,0|1,1,0]=4 6061 B12R1.56 C=Cc1cc(ccc1C)C(=O)N 271570a_100011290941_100000186401 [0,0,1,1,0,0|1,0,1]=4 6062 B12R1.41 C=Cc1cc(cc(c1)OCC)F 271570a_100011290941_100012343907 [0,0,1,1,0,0|2,0,0]=4 6063 B12R1.41 C=Cc1cc(nc(n1)N)OCC 271570a_100011290941_100011996124 [0,0,1,1,0,0|2,0,0]=4 6064 B12R1.40 CCOc1cc([nH]c(=O)c1C)C 34a_200000102746_100000210202 [0,0,1,1,0,0|0,0,2]=4 6065 B12R1.28 CCCC=Cc1cccc(=O)[nH]1 271570a_100016258520_100000761760 [0,0,1,1,0,0|1,0,0]=3 6066 B12R1.28 CCCC=Cc1cccc(c1)N 271570a_100016258520_100000210019 [0,0,1,1,0,0|2,0,0]=4 6067 B12R1.28 CCCC=Cc1cccc(n1)N 271570a_100016258520_100000740741 [0,0,1,1,0,0|2,0,0]=4 6068 B12R1.28 CCNN=Cc1cccc(=O)[nH]1 4a_100000756455_100011935257 [0,0,1,1,0,0|2,0,0]=4 6069 B12R1.28 CCOC=Cc1cc(ccn1)N 271570a_100016256518_100009814236 [0,0,1,1,0,0|2,0,0]=4 6070 B12R1.28 CCOC=Cc1cc[nH]c(=O)c1 271570a_100016256518_100009816521 [0,0,1,1,0,0|2,0,0]=4 6071 B12R1.28 CCOC=Cc1cc[nH]c(=O)n1 271570a_100016256518_200000134032 [0,0,1,1,0,0|1,0,1]=4 6072 B12R1.28 CCOC=Cc1cccc(=O)[nH]1 271570a_100016256518_100000761760 [0,0,1,1,0,0|0,0,0]=2 6073 B12R1.28 CCOC=Cc1cccc(c1)Br 271570a_100016256518_100000691529 [0,0,1,1,0,0|2,0,0]=4 6074 B12R1.28 CCOC=Cc1cccc(c1)C 271570a_100016256518_100011215228 [0,0,1,1,0,0|2,0,0]=4 6075 B12R1.28 CCOC=Cc1cccc(c1)Cl 271570a_100016256518_100000699651 [0,0,1,1,0,0|2,0,0]=4 6076 B12R1.28 CCOC=Cc1cccc(c1)F 271570a_100016256518_100000685547 [0,0,1,1,0,0|2,0,0]=4 6077 B12R1.28 CCOC=Cc1cccc(c1)N 271570a_100016256518_100000210019 [0,0,1,1,0,0|1,0,0]=3 6078 B12R1.28 CCOC=Cc1cccc(c1)O 271570a_100016256518_100000211634 [0,0,1,1,0,0|1,0,1]=4 6079 B12R1.28 CCOC=Cc1cccc(c1)[S] 271570a_100016256518_114929384022 [0,0,1,1,0,0|1,1,0]=4 6080 B12R1.28 CCOC=Cc1cccc(n1)Br 271570a_100016256518_100000684672 [0,0,1,1,0,0|1,0,1]=4 6081 B12R1.28 CCOC=Cc1cccc(n1)C 271570a_100016256518_100000742759 [0,0,1,1,0,0|1,0,1]=4 6082 B12R1.28 CCOC=Cc1cccc(n1)F 271570a_100016256518_100009815982 [0,0,1,1,0,0|1,0,1]=4 6083 B12R1.28 CCOC=Cc1cccc(n1)N 271570a_100016256518_100000740741 [0,0,1,1,0,0|1,0,0]=3 6084 B12R1.28 CCOC=Cc1ccnc(c1)N 271570a_100016256518_100000744379 [0,0,1,1,0,0|2,0,0]=4 6085 B12R1.28 CCOC=Cc1ccnc(n1)N 271570a_100016256518_100009820717 [0,0,1,1,0,0|2,0,0]=4 6086 B12R1.28 CCOC=Cc1cncc(c1)N 271570a_100016256518_100000687067 [0,0,1,1,0,0|2,0,0]=4 6087 B12R1.28 CCOC=Cc1cncc(n1)N 271570a_100016256518_100009819714 [0,0,1,1,0,0|2,0,0]=4 6088 B12R1.28 CCOC=Cc1nccc(n1)N 271570a_100016256518_100000757536 [0,0,1,1,0,0|2,0,0]=4 6089 B12R1.28 CCOCSc1cccc(=O)[nH]1 62a_100000739092_100000752884 [0,0,1,1,0,0|1,0,1]=4 6090 B12R1.28 COCC=Cc1cccc(=O)[nH]1 271570a_100016286323_100000761760 [0,0,1,1,0,0|2,0,0]=4 6091 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [1,0,0,1,0,0|0,0,2]=4 6092 B12R2.315 C=Cc1cccc2c1CCC2 271570a_100011290941_100010343934 [1,0,0,1,0,0|2,0,0]=4 6093 B12R2.315 C=Cc1cccc2c1NCC2 271570a_100011290941_100016995435 [1,0,0,1,0,0|2,0,0]=4 6094 B12R2.315 C=Cc1cccc2c1OCC2 271570a_100011290941_100009818991 [1,0,0,1,0,0|1,0,0]=3 6095 B12R2.315 C=Cc1cccc2c1OCO2 271570a_100011290941_100009814252 [1,0,0,1,0,0|2,0,0]=4 6096 B12R2.315 CNc1cccc2c1OCC2 2230a_100000102157_200000210301 [1,0,0,1,0,0|2,0,0]=4 6097 B12R2.315 CNc1cccc2c1OCC2 34a_100000102157_200000210301 [1,0,0,1,0,0|2,0,0]=4 6098 B12R2.315 CSc1cccc2c1OCC2 62a_100009818991_200000210301 [1,0,0,1,0,0|2,0,0]=4 6099 B12R2.315 CSc1cccc2c1OCC2 62a_200000210301_100009818991 [1,0,0,1,0,0|2,0,0]=4 6100 B12R2.315 [13CH3]Nc1cccc2c1OCC2 2230a_100000102157_200025704644 [1,0,0,1,0,0|2,0,0]=4 6101 B12R2.315 [13CH3]Nc1cccc2c1OCC2 34a_100000102157_200025704644 [1,0,0,1,0,0|2,0,0]=4 6102 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_100009818991_200025704644 [1,0,0,1,0,0|2,0,0]=4 6103 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_200025704644_100009818991 [1,0,0,1,0,0|2,0,0]=4 6104 B12R2.2048 C=Cc1ccccc1C2CC2 271570a_100011290941_100009819954 [1,0,0,1,0,0|2,0,0]=4 6105 B12R2.2048 NCc1ccccc1C2CC2 271570a_100011220607_100000689332 [1,0,0,1,0,0|1,0,1]=4 6106 B12R2.2048 NNc1ccccc1C2CC2 271570a_100011220607_100000241748 [1,0,0,1,0,0|2,0,0]=4 6107 B12R2.2048 O=Cc1ccccc1C2CC2 271570a_100011220607_100000211189 [1,0,0,1,0,0|1,0,0]=3 6108 B12R2.2048 O=Cc1cccnc1C2CC2 271570a_100011220607_100009816751 [1,0,0,1,0,0|2,0,0]=4 6109 B12R2.2048 O=Cc1ccncc1C2CC2 271570a_100011220607_100011934409 [1,0,0,1,0,0|2,0,0]=4 6110 B12R2.2048 O=Cc1cnccc1C2CC2 271570a_100011220607_100000050567 [1,0,0,1,0,0|2,0,0]=4 6111 B12R2.2048 O=Cc1ncccc1C2CC2 271570a_100011220607_100011934733 [1,0,0,1,0,0|2,0,0]=4 6112 B12R2.1356 NC(=O)c1cscc1C2CC2 271570a_100011220607_100009817205 [0,0,0,1,1,0|2,0,0]=4 6113 B14R2.535 CC=Cc1cccc2c1CC(=O)N2 271570a_100016259895_100009816812 [0,0,0,1,0,1|1,0,1]=4 6114 B14R2.535 CC=Cc1cccc2c1oc(=O)[nH]2 271570a_100016259895_100012360093 [0,0,0,1,0,1|1,0,1]=4 6115 B14R2.535 CCOc1cccc2c1cc([nH]2)C 34a_200000059750_100000210202 [0,0,0,1,0,1|1,0,0]=3 6116 B14R2.535 CCOc1cccc2c1nc(o2)N 7a_100009892541_100000210202 [0,0,0,1,0,1|0,0,1]=3 6117 B14R2.535 CCOc1cccc2c1nc(s2)N 7a_100000065795_100000210202 [0,0,0,1,0,1|0,1,0]=3 6118 B14R2.535 CCSc1cccc2c1CC(=O)C2 62a_100010205903_100000210202 [0,0,0,1,0,1|1,1,0]=4 6119 B14R2.535 CCSc1cccc2c1CC(=O)N2 62a_100000210202_100009816812 [0,0,0,1,0,1|0,1,0]=3 6120 B14R2.535 CCSc1cccc2c1NC(=O)C2 62a_100000210202_100000767046 [0,0,0,1,0,1|1,1,0]=4 6121 B14R2.535 CCSc1cccc2c1cc([nH]2)C 62a_100000210202_100010143266 [0,0,0,1,0,1|1,1,0]=4 6122 B14R2.535 CCSc1cccc2c1nc([nH]2)C 62a_100000210202_100012360556 [0,0,0,1,0,1|1,1,0]=4 6123 B14R2.535 CCSc1cccc2c1nc(s2)N 62a_100000724365_100000210202 [0,0,0,1,0,1|0,2,0]=4 6124 B14R2.535 CCSc1cccc2c1sc(c2)N 62a_100010090802_100000210202 [0,0,0,1,0,1|1,1,0]=4 6125 B14R2.535 CCSc1cccc2c1sc(n2)N 62a_100010235960_100000210202 [0,0,0,1,0,1|1,1,0]=4 6126 B14R2.535 CCSc1ccnc2c1CC(=O)N2 62a_100000210202_100000104061 [0,0,0,1,0,1|1,1,0]=4 6127 B14R2.535 Cc1cc2c(cccc2[nH]1)OCF 34a_200000059750_100015361967 [0,0,0,1,0,1|2,0,0]=4 6128 B14R2.535 Nc1nc2c(cccc2o1)OCF 7a_100009892541_100015361967 [0,0,0,1,0,1|1,0,1]=4 6129 B14R2.535 Nc1nc2c(cccc2s1)OCF 7a_100000065795_100015361967 [0,0,0,1,0,1|1,1,0]=4 6130 B14R2.535 O=C1Cc2c(cccc2SCF)N1 62a_100015361967_100009816812 [0,0,0,1,0,1|1,1,0]=4 6131 B14R2.9440 CC(=Cc1cccc2c1OCC2)C 271570a_100102525489_100009818991 [0,0,0,1,0,1|2,0,0]=4 6132 B14R2.9440 CC(=O)Cc1cccc2c1OCO2 1458a_100000070787_100010369185 [0,0,0,1,0,1|2,0,0]=4 6133 B14R2.9440 CC(=O)Nc1cccc2c1CCC2 11a_100000043548_100015343762 [0,0,0,1,0,1|2,0,0]=4 6134 B14R2.9440 CC(=O)Nc1cccc2c1CCC2 1626a_100000043548_100015343762 [0,0,0,1,0,1|2,0,0]=4 6135 B14R2.9440 CC(=O)Nc1cccc2c1CCC2 22a_100000043548_100000070787 [0,0,0,1,0,1|2,0,0]=4 6136 B14R2.9440 CC(=O)Nc1cccc2c1CCC2 527a_100000043548_100103153847 [0,0,0,1,0,1|2,0,0]=4 6137 B14R2.9440 CC(=O)Nc1cccc2c1OCC2 11a_100000102157_100015343762 [0,0,0,1,0,1|1,0,0]=3 6138 B14R2.9440 CC(=O)Nc1cccc2c1OCC2 1626a_100000102157_100015343762 [0,0,0,1,0,1|1,0,0]=3 6139 B14R2.9440 CC(=O)Nc1cccc2c1OCC2 22a_100000102157_100000070787 [0,0,0,1,0,1|1,0,0]=3 6140 B14R2.9440 CC(=O)Nc1cccc2c1OCC2 527a_100000102157_100103153847 [0,0,0,1,0,1|1,0,0]=3 6141 B14R2.9440 CC(=O)Nc1cccc2c1OCO2 11a_100000699912_100015343762 [0,0,0,1,0,1|2,0,0]=4 6142 B14R2.9440 CC(=O)Nc1cccc2c1OCO2 1626a_100000699912_100015343762 [0,0,0,1,0,1|2,0,0]=4 6143 B14R2.9440 CC(=O)Nc1cccc2c1OCO2 22a_100000699912_100000070787 [0,0,0,1,0,1|2,0,0]=4 6144 B14R2.9440 CC(=O)Nc1cccc2c1OCO2 527a_100000699912_100103153847 [0,0,0,1,0,1|2,0,0]=4 6145 B14R2.9577 CC(=O)Cc1ccccc1C2CC2 271570a_100011220607_100011350739 [0,0,0,1,0,1|2,0,0]=4 6146 B14R2.9577 CC(=O)Nc1ccccc1C2CC2 11a_100011236190_100015343762 [0,0,0,1,0,1|2,0,0]=4 6147 B14R2.9577 CC(=O)Nc1ccccc1C2CC2 1626a_100011236190_100015343762 [0,0,0,1,0,1|2,0,0]=4 6148 B14R2.9577 CC(=O)Nc1ccccc1C2CC2 22a_100011236190_100000070787 [0,0,0,1,0,1|2,0,0]=4 6149 B14R2.9577 CC(=O)Nc1ccccc1C2CC2 271570a_100011220607_100000153524 [0,0,0,1,0,1|2,0,0]=4 6150 B14R2.9577 CC(=O)Oc1ccccc1C2CC2 271570a_100011220607_100000051690 [0,0,0,1,0,1|2,0,0]=4 6151 B14R2.9577 NC(=O)Cc1ccccc1C2CC2 271570a_100011220607_200009814924 [0,0,0,1,0,1|1,0,0]=3 6152 B14R2.9577 NC(=O)Nc1ccccc1C2CC2 271570a_100011220607_100000742221 [0,0,0,1,0,1|1,0,0]=3 6153 B14R2.31359 CC(=O)C1CCCc2c1cccc2 1458a_100011198263_200000210301 [0,0,0,1,0,1|2,0,0]=4 6154 B14R2.31359 [13CH3]C(=O)C1CCCc2c1cccc2 1458a_100011198263_200025704644 [0,0,0,1,0,1|2,0,0]=4 6155 B14R2.628 CC(=O)c1cc(cc2c1OCC2)Br 1458a_100011219810_200000210301 [0,1,0,1,0,0|1,0,0]=3 6156 B14R2.628 [13CH3]C(=O)c1cc(cc2c1OCC2)Br 1458a_100011219810_200025704644 [0,1,0,1,0,0|1,0,0]=3 6157 B14R2.5637 O=C1CCCCc2c1cc(cc2)O 271570a_203496583355_100011742502 [0,1,0,1,0,0|2,0,0]=4 6158 B14R2.5637 O=C1CCCNc2c1cc(cc2)O 271570a_203496583355_100010003710 [0,1,0,1,0,0|2,0,0]=4 6159 B14R2.5637 O=C1CCCOc2c1cc(cc2)O 271570a_203496583355_100000735629 [0,1,0,1,0,0|1,0,0]=3 6160 B14R2.8235 Cc1nc2ccc(cc2c(=O)[nH]1)O 271570a_203496583355_100000741707 [0,1,0,1,0,0|1,0,1]=4 6161 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2o1)O 271570a_203496583355_200000725568 [0,1,0,1,0,0|1,0,1]=4 6162 B14R2.9205 CC(=O)c1cc(ccc1C2CC2)Br 271570a_100011220607_100012349576 [0,1,0,1,0,0|2,0,0]=4 6163 B14R2.9205 CC(=O)c1cc(ccc1C2CC2)C 271570a_100011220607_100012361225 [0,1,0,1,0,0|2,0,0]=4 6164 B14R2.9205 CC(=O)c1cc(ccc1C2CC2)F 271570a_100011220607_100012353695 [0,1,0,1,0,0|2,0,0]=4 6165 B14R2.9205 CC(=O)c1cc(ccc1C2CC2)N 271570a_100011220607_100012349454 [0,1,0,1,0,0|2,0,0]=4 6166 B14R2.9205 Cc1ccc(c(c1)C(=O)N)C2CC2 271570a_100011220607_200012349609 [0,1,0,1,0,0|1,0,0]=3 6167 B14R2.9205 NC(=O)c1cc(ccc1C2CC2)Br 271570a_100011220607_200000162314 [0,1,0,1,0,0|1,0,0]=3 6168 B14R2.9205 NC(=O)c1cc(ccc1C2CC2)F 271570a_100011220607_100000206434 [0,1,0,1,0,0|1,0,0]=3 6169 B14R2.9205 NC(=O)c1cc(ccc1C2CC2)N 271570a_100011220607_100015186447 [0,1,0,1,0,0|1,0,0]=3 6170 B14R2.9205 NC(=O)c1cc(cnc1C2CC2)F 271570a_100011220607_100012183597 [0,1,0,1,0,0|2,0,0]=4 6171 B14R2.4684 CC(=O)c1ccc(cc1C2CC2)C 271570a_100011220607_100012353930 [0,1,0,1,0,0|2,0,0]=4 6172 B14R2.4684 CC(=O)c1ccc(cc1C2CC2)F 271570a_100011220607_100000686192 [0,1,0,1,0,0|2,0,0]=4 6173 B14R2.4684 CC(=O)c1ccc(cc1C2CC2)O 271570a_100011220607_100012340537 [0,1,0,1,0,0|2,0,0]=4 6174 B14R2.4684 Cc1ccc(c(n1)C2CC2)C(=O)N 271570a_100011220607_100000041523 [0,1,0,1,0,0|2,0,0]=4 6175 B14R2.4684 NC(=O)c1ccc(cc1C2CC2)Br 271570a_100011220607_100009815748 [0,1,0,1,0,0|1,0,0]=3 6176 B14R2.4684 NC(=O)c1ccc(cc1C2CC2)F 271570a_100011220607_100000206404 [0,1,0,1,0,0|1,0,0]=3 6177 B14R2.8653 CC(=O)c1ccc(c2c1OCO2)O 271570a_203496583355_100021123059 [0,1,0,1,0,0|2,0,0]=4 6178 B14R2.8719 O=C1CCCOc2c1ccc(c2)O 271570a_203496583355_100000735630 [0,1,0,1,0,0|1,0,0]=3 6179 B14R2.8719 O=C1NCCNc2c1ccc(c2)O 271570a_203496583355_200000725643 [0,1,0,1,0,0|1,0,0]=3 6180 B14R2.8719 O=C1NCCOc2c1ccc(c2)O 271570a_203496583355_200013358270 [0,1,0,1,0,0|0,0,0]=2 6181 B14R2.29365 Cc1cc2cc(ccc2c(=O)[nH]1)O 271570a_203496583355_100010883700 [0,1,0,1,0,0|1,0,1]=4 6182 B14R2.29365 Cc1nc2cc(ccc2c(=O)[nH]1)O 271570a_203496583355_100012357626 [0,1,0,1,0,0|1,0,1]=4 6183 B14R2.15500 NS(=O)(=O)c1ccccc1C2CC2 271570a_100011220607_100000735520 [0,1,0,1,0,0|2,0,0]=4 6184 B14R2.536 CC=Cc1cccc2c1C(=O)NC2 271570a_100016259895_100000724024 [0,1,0,1,0,0|1,0,1]=4 6185 B14R2.536 CC=Cc1cccc2c1c(=O)[nH][nH]2 271570a_100016259895_100010170957 [0,1,0,1,0,0|1,0,1]=4 6186 B14R2.536 CCOc1cccc2c1C(=O)CC2 34a_100000066596_100000210202 [0,1,0,1,0,0|1,0,0]=3 6187 B14R2.536 CCOc1cccc2c1C(=O)CC2 7a_100000066596_100000210202 [0,1,0,1,0,0|1,0,0]=3 6188 B14R2.536 CCOc1cccc2c1C(=O)CO2 34a_200009856558_100000210202 [0,1,0,1,0,0|1,0,0]=3 6189 B14R2.536 CCSc1cccc2c1C(=O)CC2 62a_100000210202_100009816781 [0,1,0,1,0,0|1,1,0]=4 6190 B14R2.536 CCSc1cccc2c1C(=O)CC2 62a_100009816781_100000210202 [0,1,0,1,0,0|1,1,0]=4 6191 B14R2.536 CCSc1cccc2c1C(=O)CO2 62a_100000210202_100010205902 [0,1,0,1,0,0|1,1,0]=4 6192 B14R2.536 CCSc1cccc2c1C(=O)NC2 62a_100000210202_100000724024 [0,1,0,1,0,0|0,1,0]=3 6193 B14R2.536 CCSc1cccc2c1C(=O)NC2 62a_100000724024_100000210202 [0,1,0,1,0,0|0,1,0]=3 6194 B14R2.536 CCSc1cccc2c1C(=O)OC2 62a_100010132333_100000210202 [0,1,0,1,0,0|1,1,0]=4 6195 B14R2.536 CCSc1cccc2c1c(c[nH]2)C 62a_100000210202_100010194227 [0,1,0,1,0,0|1,1,0]=4 6196 B14R2.536 CCSc1cccc2c1c(n[nH]2)C 62a_100000210202_100010205804 [0,1,0,1,0,0|1,1,0]=4 6197 B14R2.536 CCSc1cccc2c1c(no2)N 62a_100000210202_100012361266 [0,1,0,1,0,0|0,1,1]=4 6198 B14R2.536 CCSc1cccc2c1c(no2)N 62a_100012361266_100000210202 [0,1,0,1,0,0|0,1,1]=4 6199 B14R2.536 O=C1CCc2c1c(ccc2)OCF 34a_100000066596_100015361967 [0,1,0,1,0,0|2,0,0]=4 6200 B14R2.536 O=C1CCc2c1c(ccc2)OCF 7a_100000066596_100015361967 [0,1,0,1,0,0|2,0,0]=4 6201 B14R2.536 O=C1COc2c1c(ccc2)OCF 34a_200009856558_100015361967 [0,1,0,1,0,0|2,0,0]=4 6202 B14R2.536 O=C1NCc2c1c(ccc2)SCF 62a_100000724024_100015361967 [0,1,0,1,0,0|1,1,0]=4 6203 B14R2.536 O=C1NCc2c1c(ccc2)SCF 62a_100015361967_100000724024 [0,1,0,1,0,0|1,1,0]=4 6204 B14R2.1131 CSc1n[nH]c(=O)c2c1cccc2 62a_200000210301_100010235092 [0,1,0,1,0,0|2,0,0]=4 6205 B14R2.1131 [13CH3]Sc1n[nH]c(=O)c2c1cccc2 62a_200025704644_100010235092 [0,1,0,1,0,0|2,0,0]=4 6206 B14R2.2014 CNC1CCCOc2c1cccc2 269862a_106832991636_100000750279 [0,1,0,1,0,0|1,0,1]=4 6207 B14R2.10655 CCC(=O)c1ccccc1C2CC2 1458a_100011688854_100000210202 [0,1,0,1,0,0|2,0,0]=4 6208 B14R2.10655 CNC(=O)c1ccccc1C2CC2 11a_106832991635_100011688854 [0,1,0,1,0,0|1,0,0]=3 6209 B14R2.10655 CNC(=O)c1ccccc1C2CC2 1626a_100102657272_100011688854 [0,1,0,1,0,0|1,0,0]=3 6210 B14R2.10655 CNC(=O)c1ccccc1C2CC2 271570a_100011220607_100000155073 [0,1,0,1,0,0|1,0,0]=3 6211 B14R2.10655 CNC(=O)c1ccccc1C2CC2 527a_100102657272_100011688854 [0,1,0,1,0,0|1,0,0]=3 6212 B14R2.10655 CNC(=O)c1cccnc1C2CC2 271570a_100011220607_100000159833 [0,1,0,1,0,0|2,0,0]=4 6213 B14R2.10655 COC(=O)c1ccccc1C2CC2 271570a_100011220607_100000148710 [0,1,0,1,0,0|2,0,0]=4 6214 B14R2.10655 NNC(=O)c1ccccc1C2CC2 271570a_100011220607_100000190081 [0,1,0,1,0,0|1,0,0]=3 6215 B14R2.10655 O=C(CF)c1ccccc1C2CC2 1458a_100011688854_100015361967 [0,1,0,1,0,0|2,0,0]=4 6216 B14R2.10782 CCC(=O)c1cccc2c1CCC2 1458a_100000051556_100000210202 [0,1,0,1,0,0|2,0,0]=4 6217 B14R2.10782 CCC(=O)c1cccc2c1OCC2 1458a_100011216994_100000210202 [0,1,0,1,0,0|1,0,0]=3 6218 B14R2.10782 CCC(=O)c1cccc2c1OCO2 1458a_100000048783_100000210202 [0,1,0,1,0,0|2,0,0]=4 6219 B14R2.10782 CNC(=O)c1cccc2c1CCC2 11a_106832991635_100000051556 [0,1,0,1,0,0|1,0,0]=3 6220 B14R2.10782 CNC(=O)c1cccc2c1CCC2 1626a_100102657272_100000051556 [0,1,0,1,0,0|1,0,0]=3 6221 B14R2.10782 CNC(=O)c1cccc2c1CCC2 240690a_100102657272_100000051556 [0,1,0,1,0,0|1,0,0]=3 6222 B14R2.10782 CNC(=O)c1cccc2c1CCC2 527a_100102657272_100000051556 [0,1,0,1,0,0|1,0,0]=3 6223 B14R2.10782 CNC(=O)c1cccc2c1OCC2 11a_106832991635_100011216994 [0,1,0,1,0,0|0,0,0]=2 6224 B14R2.10782 CNC(=O)c1cccc2c1OCC2 1626a_100102657272_100011216994 [0,1,0,1,0,0|0,0,0]=2 6225 B14R2.10782 CNC(=O)c1cccc2c1OCC2 240690a_100102657272_100011216994 [0,1,0,1,0,0|0,0,0]=2 6226 B14R2.10782 CNC(=O)c1cccc2c1OCC2 527a_100102657272_100011216994 [0,1,0,1,0,0|0,0,0]=2 6227 B14R2.10782 CNC(=O)c1cccc2c1OCO2 11a_106832991635_100000048783 [0,1,0,1,0,0|1,0,0]=3 6228 B14R2.10782 CNC(=O)c1cccc2c1OCO2 1626a_100102657272_100000048783 [0,1,0,1,0,0|1,0,0]=3 6229 B14R2.10782 CNC(=O)c1cccc2c1OCO2 240690a_100102657272_100000048783 [0,1,0,1,0,0|1,0,0]=3 6230 B14R2.10782 CNC(=O)c1cccc2c1OCO2 527a_100102657272_100000048783 [0,1,0,1,0,0|1,0,0]=3 6231 B14R2.10782 CNC(=O)c1cccc2c1occ2 11a_106832991635_100000098497 [0,1,0,1,0,0|0,0,2]=4 6232 B14R2.10782 CNC(=O)c1cccc2c1occ2 1626a_100102657272_100000098497 [0,1,0,1,0,0|0,0,2]=4 6233 B14R2.10782 CNC(=O)c1cccc2c1occ2 240690a_100102657272_100000098497 [0,1,0,1,0,0|0,0,2]=4 6234 B14R2.10782 CNC(=O)c1cccc2c1occ2 527a_100102657272_100000098497 [0,1,0,1,0,0|0,0,2]=4 6235 B14R2.10782 CNC(=O)c1cccc2c1ocn2 11a_106832991635_100012186845 [0,1,0,1,0,0|1,0,1]=4 6236 B14R2.10782 CNC(=O)c1cccc2c1ocn2 1626a_100102657272_100012186845 [0,1,0,1,0,0|1,0,1]=4 6237 B14R2.10782 CNC(=O)c1cccc2c1ocn2 527a_100102657272_100012186845 [0,1,0,1,0,0|1,0,1]=4 6238 B14R2.10782 CNC(C)c1cccc2c1OCC2 269862a_106832991636_100012186135 [0,1,0,1,0,0|1,0,1]=4 6239 B14R2.10782 O=C(CF)c1cccc2c1CCC2 1458a_100000051556_100015361967 [0,1,0,1,0,0|2,0,0]=4 6240 B14R2.10782 O=C(CF)c1cccc2c1OCC2 1458a_100011216994_100015361967 [0,1,0,1,0,0|1,0,0]=3 6241 B14R2.10782 O=C(CF)c1cccc2c1OCO2 1458a_100000048783_100015361967 [0,1,0,1,0,0|2,0,0]=4 6242 B14R2.9532 NC(=O)c1cccnc1N2CCC2 27a_100000754969_100000162199 [0,1,0,1,0,0|2,0,0]=4 6243 B14R2.9532 NC(=O)c1cnccc1N2CCC2 27a_100000754969_100000697804 [0,1,0,1,0,0|2,0,0]=4 6244 B14R2.9532 NC(=O)c1ncccc1N2CCC2 27a_100000754969_200012359670 [0,1,0,1,0,0|2,0,0]=4 6245 B14R2.4 C=C(C)c1cccc2c1OCC2N 271570a_100000694244_100025715106 [0,1,0,1,0,0|2,0,0]=4 6246 B14R2.4 CC(=O)c1cccc2c1CCN2C 1458a_100000060737_200000210301 [0,1,0,1,0,0|2,0,0]=4 6247 B14R2.4 CN1CCc2c1cccc2C(=O)[13CH3] 1458a_100000060737_200025704644 [0,1,0,1,0,0|2,0,0]=4 6248 B14R2.510 CCNC1CC(=O)c2c1cccc2 2230a_100015525214_100010208147 [0,1,0,1,0,0|2,0,0]=4 6249 B14R2.510 CCNC1OC(=O)c2c1cccc2 2230a_100015525214_100009813457 [0,1,0,1,0,0|2,0,0]=4 6250 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100000210202_100010208147 [0,1,0,1,0,0|1,1,0]=4 6251 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210202 [0,1,0,1,0,0|1,1,0]=4 6252 B14R2.510 CCSC1OC(=O)c2c1cccc2 62a_100000210202_100009813457 [0,1,0,1,0,0|1,1,0]=4 6253 B14R2.1019 CSc1cc2ccccc2c(=O)[nH]1 62a_200000210301_200015811170 [0,1,0,1,0,0|1,0,1]=4 6254 B14R2.1019 [13CH3]Sc1cc2ccccc2c(=O)[nH]1 62a_200025704644_200015811170 [0,1,0,1,0,0|1,0,1]=4 6255 B14R2.9513 C=C(C)c1ccccc1OC2CC2 271570a_100000694244_100012344913 [0,1,0,1,0,0|2,0,0]=4 6256 B14R2.9513 CC(=O)c1ccccc1SC2CC2 62a_100000751169_100000211595 [0,1,0,1,0,0|1,1,0]=4 6257 B14R2.9513 CC(=O)c1ncccc1OC2CC2 34a_100000087166_100000211595 [0,1,0,1,0,0|2,0,0]=4 6258 B14R2.9513 C[C@@H](N)c1ccccc1OC2CC2 34a_100025703389_100000211595 [0,1,0,1,0,0|1,0,1]=4 6259 B14R2.9513 NC(=O)c1ccccc1NC2CC2 34a_100000185089_100000211595 [0,1,0,1,0,0|1,0,0]=3 6260 B14R2.9513 NC(=O)c1ccccc1OC2CC2 34a_100000192804_100000211595 [0,1,0,1,0,0|0,0,0]=2 6261 B14R2.9513 NC(=O)c1ccccc1SC2CC2 62a_100000162227_100000211595 [0,1,0,1,0,0|0,1,0]=3 6262 B14R2.9513 NC(=O)c1cccnc1NC2CC2 27a_100000212008_100000162199 [0,1,0,1,0,0|2,0,0]=4 6263 B14R2.9513 NC(=O)c1cccnc1SC2CC2 62a_100000162199_100000211595 [0,1,0,1,0,0|1,1,0]=4 6264 B14R2.9513 NC(=O)c1ccncc1SC2CC2 62a_100010205435_100000211595 [0,1,0,1,0,0|1,1,0]=4 6265 B14R2.9513 NC(=O)c1cnccc1NC2CC2 27a_100000212008_100000697804 [0,1,0,1,0,0|2,0,0]=4 6266 B14R2.9513 NC(=O)c1cnccc1OC2CC2 34a_200011998761_100000211595 [0,1,0,1,0,0|1,0,0]=3 6267 B14R2.9513 NC(=O)c1cnccc1SC2CC2 62a_100000697804_100000211595 [0,1,0,1,0,0|1,1,0]=4 6268 B14R2.9513 NC(=O)c1ncccc1NC2CC2 27a_100000212008_200012359670 [0,1,0,1,0,0|2,0,0]=4 6269 B14R2.9513 NC(=O)c1ncccc1OC2CC2 34a_200011215183_100000211595 [0,1,0,1,0,0|1,0,0]=3 6270 B14R2.9513 NC(=O)c1ncccc1SC2CC2 62a_200012359670_100000211595 [0,1,0,1,0,0|1,1,0]=4 6271 B14R2.9513 NC(=O)c1nccnc1OC2CC2 34a_100011830332_100000211595 [0,1,0,1,0,0|2,0,0]=4 6272 B14R2.9513 O=C(O)c1ccccc1SC2CC2 62a_202125556159_100000211595 [0,1,0,1,0,0|1,1,0]=4 6273 B14R2.9513 O=[N+]([O-])c1ccccc1OC2CC2 34a_100000186319_100000211595 [0,1,0,1,0,0|2,0,0]=4 6274 B14R2.712 CC(=O)c1cccc2c1oc(n2)C 1458a_100011934341_200000210301 [0,1,0,1,0,0|1,0,1]=4 6275 B14R2.712 Cc1nc2cccc(c2o1)C(=O)[13CH3] 1458a_100011934341_200025704644 [0,1,0,1,0,0|1,0,1]=4 6276 B14R2.4497 CC(=O)c1c(ccc2c1OCO2)Br 1458a_100009816570_200000210301 [0,1,0,1,0,0|2,0,0]=4 6277 B14R2.4497 CC(=O)c1c(ccc2c1OCO2)Cl 1458a_100010169493_200000210301 [0,1,0,1,0,0|2,0,0]=4 6278 B14R2.4497 [13CH3]C(=O)c1c(ccc2c1OCO2)Br 1458a_100009816570_200025704644 [0,1,0,1,0,0|2,0,0]=4 6279 B14R2.4497 [13CH3]C(=O)c1c(ccc2c1OCO2)Cl 1458a_100010169493_200025704644 [0,1,0,1,0,0|2,0,0]=4 6280 B14R2.9055 CC(=O)c1c(cccc1C2CC2)F 271570a_100011220607_100012351873 [0,1,0,1,0,0|2,0,0]=4 6281 B14R2.9055 CC(=O)c1c(cccc1C2CC2)O 271570a_100011220607_100010174959 [0,1,0,1,0,0|2,0,0]=4 6282 B14R2.9055 NC(=O)c1c(cccc1C2CC2)Cl 271570a_100011220607_100010147686 [0,1,0,1,0,0|1,0,0]=3 6283 B14R2.9055 NC(=O)c1c(cccc1C2CC2)F 271570a_100011220607_100011219063 [0,1,0,1,0,0|1,0,0]=3 6284 B14R2.9055 NC(=O)c1c(cncc1C2CC2)F 271570a_100011220607_100010271514 [0,1,0,1,0,0|2,0,0]=4 6285 B14R2.9068 CC(=O)c1cccc(c1C2CC2)F 271570a_100011220607_100012362612 [0,1,0,1,0,0|2,0,0]=4 6286 B14R2.9068 Cc1cccc(c1C2CC2)C(=O)N 271570a_100011220607_200011409216 [0,1,0,1,0,0|1,0,0]=3 6287 B14R2.9068 NC(=O)c1cccc(c1C2CC2)F 271570a_100011220607_200012351544 [0,1,0,1,0,0|1,0,0]=3 6288 B10R1.5 CCSc1ccoc1C=O 62a_100000210202_100000756499 [1,0,0,0,1,0|1,1,0]=4 6289 B10R1.5 CCSc1ccoc1C=O 62a_100000756499_100000210202 [1,0,0,0,1,0|1,1,0]=4 6290 B10R1.5 CCSc1ccsc1C=O 62a_100000210202_100000766043 [1,0,0,0,1,0|1,1,0]=4 6291 B10R1.5 CCSc1ccsc1C=O 62a_100000766043_100000210202 [1,0,0,0,1,0|1,1,0]=4 6292 B10R1.5 CCSc1cscc1C=O 62a_100000210202_100000685484 [1,0,0,0,1,0|1,1,0]=4 6293 B10R1.5 CCSc1cscc1C=O 62a_100000685484_100000210202 [1,0,0,0,1,0|1,1,0]=4 6294 B10R1.5 CCSc1sccc1C=O 62a_100000210202_100009816921 [1,0,0,0,1,0|1,1,0]=4 6295 B10R1.5 CCSc1sccc1C=O 62a_100009816921_100000210202 [1,0,0,0,1,0|1,1,0]=4 6296 B10R1.39 CSc1cscc1C(=O)N 62a_100009817205_200000210301 [1,0,0,0,1,0|1,1,0]=4 6297 B10R1.39 CSc1cscc1C(=O)N 62a_200000210301_100009817205 [1,0,0,0,1,0|1,1,0]=4 6298 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_100009817205_200025704644 [1,0,0,0,1,0|1,1,0]=4 6299 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_200025704644_100009817205 [1,0,0,0,1,0|1,1,0]=4 6300 B12R1.279 C=C(C)c1cccc(c1)OCC 271570a_100000694244_100000170002 [0,0,0,0,1,1|2,0,0]=4 6301 B12R1.279 C=C(C)c1cccc(n1)OCC 271570a_100000694244_100000752924 [0,0,0,0,1,1|2,0,0]=4 6302 B12R1.279 CC(=O)c1cccc(c1)OCF 34a_100000211620_100015361967 [0,0,0,0,1,1|2,0,0]=4 6303 B12R1.279 CC(=O)c1cccc(c1)OCF 7a_100000211620_100015361967 [0,0,0,0,1,1|2,0,0]=4 6304 B12R1.279 CC=Cc1cccc(c1)C(=O)N 271570a_100016259895_100000162208 [0,0,0,0,1,1|1,0,1]=4 6305 B12R1.279 CC=Cc1cccc(n1)C(=O)N 271570a_100016259895_100011834053 [0,0,0,0,1,1|1,0,1]=4 6306 B12R1.279 CCNc1cccc(c1)C(=O)N 34a_100000217337_100000210202 [0,0,0,0,1,1|1,0,0]=3 6307 B12R1.279 CCNc1cccc(n1)C(=O)C 27a_100015525214_100000085735 [0,0,0,0,1,1|2,0,0]=4 6308 B12R1.279 CCNc1cccc(n1)C(=O)N 27a_100015525214_100011834053 [0,0,0,0,1,1|1,0,0]=3 6309 B12R1.279 CCNc1ccnc(c1)C(=O)N 27a_100015525214_100000229564 [0,0,0,0,1,1|2,0,0]=4 6310 B12R1.279 CCNc1cncc(n1)C(=O)N 27a_100015525214_100000764846 [0,0,0,0,1,1|2,0,0]=4 6311 B12R1.279 CCNc1nccc(n1)C(=O)N 27a_100015525214_100000066158 [0,0,0,0,1,1|2,0,0]=4 6312 B12R1.279 CCOc1cccc(c1)C(=O)C 1458a_100000216331_200000210301 [0,0,0,0,1,1|1,0,0]=3 6313 B12R1.279 CCOc1cccc(c1)C(=O)C 34a_100000211620_100000210202 [0,0,0,0,1,1|1,0,0]=3 6314 B12R1.279 CCOc1cccc(c1)C(=O)C 7a_100000211620_100000210202 [0,0,0,0,1,1|1,0,0]=3 6315 B12R1.279 CCOc1cccc(c1)C(=O)N 34a_100000162170_100000210202 [0,0,0,0,1,1|0,0,0]=2 6316 B12R1.279 CCOc1cccc(c1)C(=O)N 7a_100000162170_100000210202 [0,0,0,0,1,1|0,0,0]=2 6317 B12R1.279 CCOc1cccc(c1)C(=O)[13CH3] 1458a_100000216331_200025704644 [0,0,0,0,1,1|1,0,0]=3 6318 B12R1.279 CCOc1cccc(c1)C(=S)N 7a_100000738086_100000210202 [0,0,0,0,1,1|0,1,0]=3 6319 B12R1.279 CCOc1cccc(c1)C(C)N 34a_100000740644_100000210202 [0,0,0,0,1,1|1,0,1]=4 6320 B12R1.279 CCOc1cccc(c1)C(C)N 7a_100000740644_100000210202 [0,0,0,0,1,1|1,0,1]=4 6321 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000210202 [0,0,0,0,1,1|2,0,0]=4 6322 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000210202 [0,0,0,0,1,1|2,0,0]=4 6323 B12R1.279 CCOc1cncc(c1)C(=O)N 7a_100000698036_100000210202 [0,0,0,0,1,1|1,0,0]=3 6324 B12R1.279 CCSc1cc(ccn1)C(=O)N 62a_100000210202_100000229836 [0,0,0,0,1,1|1,1,0]=4 6325 B12R1.279 CCSc1cc(ccn1)C(=O)N 62a_100000229836_100000210202 [0,0,0,0,1,1|1,1,0]=4 6326 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210093_100000210202 [0,0,0,0,1,1|1,1,0]=4 6327 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210202_100000210093 [0,0,0,0,1,1|1,1,0]=4 6328 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000162208_100000210202 [0,0,0,0,1,1|0,1,0]=3 6329 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000210202_100000162208 [0,0,0,0,1,1|0,1,0]=3 6330 B12R1.279 CCSc1cccc(n1)C(=O)C 62a_100000210202_100009816502 [0,0,0,0,1,1|1,1,0]=4 6331 B12R1.279 CCSc1cccc(n1)C(=O)C 62a_100009816502_100000210202 [0,0,0,0,1,1|1,1,0]=4 6332 B12R1.279 CCSc1cccc(n1)C(=O)N 62a_100000210202_100011834053 [0,0,0,0,1,1|0,1,0]=3 6333 B12R1.279 CCSc1cccc(n1)C(=O)N 62a_100011834053_100000210202 [0,0,0,0,1,1|0,1,0]=3 6334 B12R1.279 CCSc1ccnc(c1)C(=O)N 62a_100000210202_100000229564 [0,0,0,0,1,1|1,1,0]=4 6335 B12R1.279 CCSc1ccnc(c1)C(=O)N 62a_100000229564_100000210202 [0,0,0,0,1,1|1,1,0]=4 6336 B12R1.279 CCSc1cncc(c1)C(=O)N 62a_100000162242_100000210202 [0,0,0,0,1,1|1,1,0]=4 6337 B12R1.279 CCSc1cncc(c1)C(=O)N 62a_100000210202_100000162242 [0,0,0,0,1,1|1,1,0]=4 6338 B12R1.279 CCSc1cncc(n1)C(=O)N 62a_100000210202_100000764846 [0,0,0,0,1,1|1,1,0]=4 6339 B12R1.279 CCSc1cncc(n1)C(=O)N 62a_100000764846_100000210202 [0,0,0,0,1,1|1,1,0]=4 6340 B12R1.279 CCSc1nccc(n1)C(=O)N 62a_100000066158_100000210202 [0,0,0,0,1,1|1,1,0]=4 6341 B12R1.279 CCSc1nccc(n1)C(=O)N 62a_100000210202_100000066158 [0,0,0,0,1,1|1,1,0]=4 6342 B12R1.279 CNCc1cccc(c1)C(=O)N 207a_100102657272_100000059704 [0,0,0,0,1,1|2,0,0]=4 6343 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_100000746036_200000210301 [0,0,0,0,1,1|2,0,0]=4 6344 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_106832991635_100000738444 [0,0,0,0,1,1|2,0,0]=4 6345 B12R1.279 CNCc1cccc(c1)C(=O)N 270004a_106832991635_100000059704 [0,0,0,0,1,1|2,0,0]=4 6346 B12R1.279 CNCc1cccc(c1)C(=O)N 34a_100102657272_100000738444 [0,0,0,0,1,1|2,0,0]=4 6347 B12R1.279 CNCc1cccc(c1)C(=O)N 7a_106832991635_100000738444 [0,0,0,0,1,1|2,0,0]=4 6348 B12R1.279 COCc1cccc(c1)C(=O)N 34a_100138415774_100000738444 [0,0,0,0,1,1|2,0,0]=4 6349 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_100000738444_200000210301 [0,0,0,0,1,1|2,0,0]=4 6350 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_200000210301_100000738444 [0,0,0,0,1,1|2,0,0]=4 6351 B12R1.279 NC(=O)c1cccc(c1)NCF 34a_100000217337_100015361967 [0,0,0,0,1,1|2,0,0]=4 6352 B12R1.279 NC(=O)c1cccc(c1)OCF 34a_100000162170_100015361967 [0,0,0,0,1,1|1,0,0]=3 6353 B12R1.279 NC(=O)c1cccc(c1)OCF 7a_100000162170_100015361967 [0,0,0,0,1,1|1,0,0]=3 6354 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100000162208_100015361967 [0,0,0,0,1,1|1,1,0]=4 6355 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100015361967_100000162208 [0,0,0,0,1,1|1,1,0]=4 6356 B12R1.279 NC(=O)c1cccc(n1)SCF 62a_100011834053_100015361967 [0,0,0,0,1,1|1,1,0]=4 6357 B12R1.279 NC(=O)c1cccc(n1)SCF 62a_100015361967_100011834053 [0,0,0,0,1,1|1,1,0]=4 6358 B12R1.279 NC(=O)c1cncc(c1)OCF 7a_100000698036_100015361967 [0,0,0,0,1,1|2,0,0]=4 6359 B12R1.279 NC(=S)c1cccc(c1)OCF 7a_100000738086_100015361967 [0,0,0,0,1,1|1,1,0]=4 6360 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)N 2230a_100000746036_200025704644 [0,0,0,0,1,1|2,0,0]=4 6361 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_100000738444_200025704644 [0,0,0,0,1,1|2,0,0]=4 6362 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_200025704644_100000738444 [0,0,0,0,1,1|2,0,0]=4 6363 B14R1.482 C/C=C/c1ccccc1OCC(=O)N 34a_200000189419_100000187820 [0,0,0,0,0,2|1,0,1]=4 6364 B14R1.482 C/C=C/c1ccccc1OCC(=O)N 7a_200000189419_100000187820 [0,0,0,0,0,2|1,0,1]=4 6365 B14R1.482 C=C(C)CNc1ccccc1OCC 34a_100000211218_100000748629 [0,0,0,0,0,2|2,0,0]=4 6366 B14R1.482 C=C(C)COc1ccccc1OCC 34a_100000211404_100000748629 [0,0,0,0,0,2|2,0,0]=4 6367 B14R1.482 C=C(C)COc1ccccc1OCC 7a_100000211404_100000748629 [0,0,0,0,0,2|2,0,0]=4 6368 B14R1.482 C=C(C)CSc1ccccc1OCC 62a_100000230754_100000211660 [0,0,0,0,0,2|2,0,0]=4 6369 B14R1.482 C=C(C)CSc1ccccc1OCC 62a_100000748629_100000230754 [0,0,0,0,0,2|2,0,0]=4 6370 B14R1.482 C=C(F)CNc1ccccc1OCC 34a_100000211218_100009893438 [0,0,0,0,0,2|2,0,0]=4 6371 B14R1.482 C=C(F)COc1ccccc1OCC 34a_100000211404_100009893438 [0,0,0,0,0,2|2,0,0]=4 6372 B14R1.482 C=C(F)COc1ccccc1OCC 7a_100000211404_100000042424 [0,0,0,0,0,2|2,0,0]=4 6373 B14R1.482 C=C(F)CSc1ccccc1OCC 62a_100000042424_100000230754 [0,0,0,0,0,2|2,0,0]=4 6374 B14R1.482 C=C(F)CSc1ccccc1OCC 62a_100000230754_100000042424 [0,0,0,0,0,2|2,0,0]=4 6375 B14R1.482 CC(=O)NCc1ccccc1OCF 34a_200011628774_100015361967 [0,0,0,0,0,2|2,0,0]=4 6376 B14R1.482 CC(=O)NCc1ccccc1OCF 7a_200011628774_100015361967 [0,0,0,0,0,2|2,0,0]=4 6377 B14R1.482 CC=Cc1ccccc1CCC(=O)N 271570a_100016259895_100009814947 [0,0,0,0,0,2|1,0,1]=4 6378 B14R1.482 CC=Cc1ccccc1OCC(=O)N 271570a_100016259895_200000148491 [0,0,0,0,0,2|1,0,1]=4 6379 B14R1.482 CCCc1ccccc1NCC(=O)N 2230a_100000737634_100000747473 [0,0,0,0,0,2|1,0,0]=3 6380 B14R1.482 CCCc1ccccc1NCC(=O)N 34a_100000737634_100000187820 [0,0,0,0,0,2|1,0,0]=3 6381 B14R1.482 CCCc1ccccc1NCC(=O)N 7a_100000737634_100000187820 [0,0,0,0,0,2|1,0,0]=3 6382 B14R1.482 CCCc1ccccc1NCC(=O)[O-] 34a_100000737634_100020667443 [0,0,0,0,0,2|2,0,0]=4 6383 B14R1.482 CCCc1ccccc1OCC(=O)N 34a_100011217252_100000187820 [0,0,0,0,0,2|1,0,0]=3 6384 B14R1.482 CCCc1ccccc1OCC(=O)N 7a_100011217252_100000187820 [0,0,0,0,0,2|1,0,0]=3 6385 B14R1.482 CCCc1ccccc1OCC(=O)[O-] 34a_100011217252_100020667443 [0,0,0,0,0,2|2,0,0]=4 6386 B14R1.482 CCNc1ccccc1OCC(=O)N 34a_103624766699_100000187820 [0,0,0,0,0,2|1,0,0]=3 6387 B14R1.482 CCNc1ccccc1OCC(=O)N 7a_103624766699_100000187820 [0,0,0,0,0,2|1,0,0]=3 6388 B14R1.482 CCNc1ccccc1OCC(=O)[O-] 34a_103624766699_100020667443 [0,0,0,0,0,2|2,0,0]=4 6389 B14R1.482 CCNc1ccccc1SCC(=O)N 62a_100000747473_114873767003 [0,0,0,0,0,2|1,0,0]=3 6390 B14R1.482 CCNc1ccccc1SCC(=O)N 62a_114873767003_100000747473 [0,0,0,0,0,2|1,0,0]=3 6391 B14R1.482 CCNc1ccccc1SCC(=O)N 7a_100000187061_100000210202 [0,0,0,0,0,2|1,0,0]=3 6392 B14R1.482 CCNc1ccccc1SCC(=O)[O-] 62a_100020667443_114873767003 [0,0,0,0,0,2|2,0,0]=4 6393 B14R1.482 CCNc1ccccc1SCC(=O)[O-] 62a_114873767003_100020667443 [0,0,0,0,0,2|2,0,0]=4 6394 B14R1.482 CCOc1ccccc1C=CC(=O)C 1458a_100016304775_200000210301 [0,0,0,0,0,2|1,0,0]=3 6395 B14R1.482 CCOc1ccccc1C=CC(=O)[13CH3] 1458a_100016304775_200025704644 [0,0,0,0,0,2|1,0,0]=3 6396 B14R1.482 CCOc1ccccc1CCC(=O)C 1458a_100000198557_200000210301 [0,0,0,0,0,2|1,0,0]=3 6397 B14R1.482 CCOc1ccccc1CCC(=O)N 34a_100011200845_100000210202 [0,0,0,0,0,2|0,0,0]=2 6398 B14R1.482 CCOc1ccccc1CCC(=O)N 7a_100011200845_100000210202 [0,0,0,0,0,2|0,0,0]=2 6399 B14R1.482 CCOc1ccccc1CCC(=O)[13CH3] 1458a_100000198557_200025704644 [0,0,0,0,0,2|1,0,0]=3 6400 B14R1.482 CCOc1ccccc1CNC(=O)C 11a_100000188671_100015343762 [0,0,0,0,0,2|1,0,0]=3 6401 B14R1.482 CCOc1ccccc1CNC(=O)C 1626a_100000188671_100015343762 [0,0,0,0,0,2|1,0,0]=3 6402 B14R1.482 CCOc1ccccc1CNC(=O)C 240690a_100000188671_100015343762 [0,0,0,0,0,2|1,0,0]=3 6403 B14R1.482 CCOc1ccccc1CNC(=O)C 34a_200011628774_100000210202 [0,0,0,0,0,2|1,0,0]=3 6404 B14R1.482 CCOc1ccccc1CNC(=O)C 527a_100000188671_100103153847 [0,0,0,0,0,2|1,0,0]=3 6405 B14R1.482 CCOc1ccccc1CNC(=O)C 7a_200011628774_100000210202 [0,0,0,0,0,2|1,0,0]=3 6406 B14R1.482 CCOc1ccccc1NCC(=O)N 34a_100000211218_100000187820 [0,0,0,0,0,2|0,0,0]=2 6407 B14R1.482 CCOc1ccccc1NCC(=O)[O-] 34a_100000211218_100020667443 [0,0,0,0,0,2|1,0,0]=3 6408 B14R1.482 CCOc1ccccc1NC[N+](=O)[O-] 34a_100000211218_100000761209 [0,0,0,0,0,2|2,0,0]=4 6409 B14R1.482 CCOc1ccccc1NNC(=O)C 22a_200020603589_100000070787 [0,0,0,0,0,2|1,0,0]=3 6410 B14R1.482 CCOc1ccccc1OCC(=O)C 1458a_100000182497_200000210301 [0,0,0,0,0,2|1,0,0]=3 6411 B14R1.482 CCOc1ccccc1OCC(=O)N 34a_100000211404_100000187820 [0,0,0,0,0,2|0,0,0]=2 6412 B14R1.482 CCOc1ccccc1OCC(=O)N 7a_100000162348_100000210202 [0,0,0,0,0,2|0,0,0]=2 6413 B14R1.482 CCOc1ccccc1OCC(=O)N 7a_100000211404_100000187820 [0,0,0,0,0,2|0,0,0]=2 6414 B14R1.482 CCOc1ccccc1OCC(=O)[13CH3] 1458a_100000182497_200025704644 [0,0,0,0,0,2|1,0,0]=3 6415 B14R1.482 CCOc1ccccc1OCC(=O)[O-] 34a_100000211404_100020667443 [0,0,0,0,0,2|1,0,0]=3 6416 B14R1.482 CCOc1ccccc1OC[N+](=O)[O-] 34a_100000211404_100000761209 [0,0,0,0,0,2|2,0,0]=4 6417 B14R1.482 CCOc1ccccc1SCC(=O)N 62a_100000230754_100000747473 [0,0,0,0,0,2|0,0,0]=2 6418 B14R1.482 CCOc1ccccc1SCC(=O)N 62a_100000747473_100000230754 [0,0,0,0,0,2|0,0,0]=2 6419 B14R1.482 CCOc1ccccc1SCC(=O)[O-] 62a_100000230754_100020667443 [0,0,0,0,0,2|1,0,0]=3 6420 B14R1.482 CCOc1ccccc1SCC(=O)[O-] 62a_100020667443_100000230754 [0,0,0,0,0,2|1,0,0]=3 6421 B14R1.482 CCOc1ccccc1SC[N+](=O)[O-] 62a_100000230754_100000761209 [0,0,0,0,0,2|2,0,0]=4 6422 B14R1.482 CCOc1cccnc1SCC(=O)N 62a_100000747473_100011597540 [0,0,0,0,0,2|1,0,0]=3 6423 B14R1.482 CCOc1cccnc1SCC(=O)N 62a_100011597540_100000747473 [0,0,0,0,0,2|1,0,0]=3 6424 B14R1.482 CCOc1cccnc1SCC(=O)[O-] 62a_100011597540_100020667443 [0,0,0,0,0,2|2,0,0]=4 6425 B14R1.482 CCOc1cccnc1SCC(=O)[O-] 62a_100020667443_100011597540 [0,0,0,0,0,2|2,0,0]=4 6426 B14R1.482 CCOc1ncccc1CNC(=O)C 11a_100000737023_100015343762 [0,0,0,0,0,2|2,0,0]=4 6427 B14R1.482 CCOc1ncccc1CNC(=O)C 1626a_100000737023_100015343762 [0,0,0,0,0,2|2,0,0]=4 6428 B14R1.482 CCOc1ncccc1CNC(=O)C 240690a_100000737023_100015343762 [0,0,0,0,0,2|2,0,0]=4 6429 B14R1.482 CCOc1ncccc1CNC(=O)C 527a_100000737023_100103153847 [0,0,0,0,0,2|2,0,0]=4 6430 B14R1.482 CCOc1ncccc1OCC(=O)N 34a_100011998697_100000187820 [0,0,0,0,0,2|1,0,0]=3 6431 B14R1.482 CCOc1ncccc1OCC(=O)[O-] 34a_100011998697_100020667443 [0,0,0,0,0,2|2,0,0]=4 6432 B14R1.482 CCOc1ncccc1SCC(=O)N 62a_100000747473_100011465154 [0,0,0,0,0,2|1,0,0]=3 6433 B14R1.482 CCOc1ncccc1SCC(=O)N 62a_100011465154_100000747473 [0,0,0,0,0,2|1,0,0]=3 6434 B14R1.482 CCOc1ncccc1SCC(=O)[O-] 62a_100011465154_100020667443 [0,0,0,0,0,2|2,0,0]=4 6435 B14R1.482 CCOc1ncccc1SCC(=O)[O-] 62a_100020667443_100011465154 [0,0,0,0,0,2|2,0,0]=4 6436 B14R1.482 CCOc1nccnc1SCC(=O)N 62a_100000747473_200010128176 [0,0,0,0,0,2|2,0,0]=4 6437 B14R1.482 CCOc1nccnc1SCC(=O)N 62a_200010128176_100000747473 [0,0,0,0,0,2|2,0,0]=4 6438 B14R1.482 CCSc1ccccc1CCC(=O)N 62a_100000210202_100009814947 [0,0,0,0,0,2|0,1,0]=3 6439 B14R1.482 CCSc1ccccc1CCC(=O)N 62a_100009814947_100000210202 [0,0,0,0,0,2|0,1,0]=3 6440 B14R1.482 CCSc1ccccc1CNC(=O)C 62a_100000210202_100011237613 [0,0,0,0,0,2|1,1,0]=4 6441 B14R1.482 CCSc1ccccc1CNC(=O)C 62a_100011237613_100000210202 [0,0,0,0,0,2|1,1,0]=4 6442 B14R1.482 CCSc1ccccc1NCC(=O)N 34a_100011223125_100000187820 [0,0,0,0,0,2|0,1,0]=3 6443 B14R1.482 CCSc1ccccc1NCC(=O)[O-] 34a_100011223125_100020667443 [0,0,0,0,0,2|1,1,0]=4 6444 B14R1.482 CCSc1ccccc1OCC(=O)N 62a_200000148491_100000210202 [0,0,0,0,0,2|0,1,0]=3 6445 B14R1.482 CCSc1ccccc1SCC(=O)N 62a_100000230856_100000747473 [0,0,0,0,0,2|0,1,0]=3 6446 B14R1.482 CCSc1ccccc1SCC(=O)N 62a_100000747473_100000230856 [0,0,0,0,0,2|0,1,0]=3 6447 B14R1.482 CCSc1ccccc1SCC(=O)[O-] 62a_100000230856_100020667443 [0,0,0,0,0,2|1,1,0]=4 6448 B14R1.482 CCSc1ccccc1SCC(=O)[O-] 62a_100020667443_100000230856 [0,0,0,0,0,2|1,1,0]=4 6449 B14R1.482 CNCc1ccccc1OCC(=O)N 207a_100102657272_100000150104 [0,0,0,0,0,2|2,0,0]=4 6450 B14R1.482 CNCc1ccccc1OCC(=O)N 270004a_106832991635_100000150104 [0,0,0,0,0,2|2,0,0]=4 6451 B14R1.482 CNCc1ccccc1OCC(=O)N 34a_100015189988_100000187820 [0,0,0,0,0,2|2,0,0]=4 6452 B14R1.482 CNCc1ccccc1SCC(=O)N 62a_100000184654_100000747473 [0,0,0,0,0,2|2,0,0]=4 6453 B14R1.482 CNCc1ccccc1SCC(=O)N 62a_100000747473_100000184654 [0,0,0,0,0,2|2,0,0]=4 6454 B14R1.482 COCc1ccccc1OCC(=O)N 34a_100011488565_100000187820 [0,0,0,0,0,2|2,0,0]=4 6455 B14R1.482 COCc1ccccc1OCC(=O)N 7a_100011488565_100000187820 [0,0,0,0,0,2|2,0,0]=4 6456 B14R1.482 COCc1ccccc1SCC(=O)N 62a_100000747473_100011493684 [0,0,0,0,0,2|2,0,0]=4 6457 B14R1.482 COCc1ccccc1SCC(=O)N 62a_100011493684_100000747473 [0,0,0,0,0,2|2,0,0]=4 6458 B14R1.482 CSCc1ccccc1SCC(=O)N 62a_100000148299_100000747473 [0,0,0,0,0,2|2,0,0]=4 6459 B14R1.482 CSCc1ccccc1SCC(=O)N 62a_100000747473_100000148299 [0,0,0,0,0,2|2,0,0]=4 6460 B14R1.482 NC(=O)CCc1ccccc1OCF 34a_100011200845_100015361967 [0,0,0,0,0,2|1,0,0]=3 6461 B14R1.482 NC(=O)CCc1ccccc1OCF 7a_100011200845_100015361967 [0,0,0,0,0,2|1,0,0]=3 6462 B14R1.482 NC(=O)CCc1ccccc1SCF 62a_100009814947_100015361967 [0,0,0,0,0,2|1,1,0]=4 6463 B14R1.482 NC(=O)CCc1ccccc1SCF 62a_100015361967_100009814947 [0,0,0,0,0,2|1,1,0]=4 6464 B14R1.482 NC(=O)CNc1ccccc1CCO 2230a_100011215289_100000747473 [0,0,0,0,0,2|2,0,0]=4 6465 B14R1.482 NC(=O)CNc1ccccc1CCO 34a_100011215289_100000187820 [0,0,0,0,0,2|2,0,0]=4 6466 B14R1.482 NC(=O)COc1ccccc1CCBr 34a_100000722297_100000187820 [0,0,0,0,0,2|2,0,0]=4 6467 B14R1.482 NC(=O)COc1ccccc1CCBr 7a_100000722297_100000187820 [0,0,0,0,0,2|2,0,0]=4 6468 B14R1.482 NC(=O)COc1ccccc1CCO 34a_100000719421_100000187820 [0,0,0,0,0,2|2,0,0]=4 6469 B14R1.482 NC(=O)COc1ccccc1CCO 7a_100000719421_100000187820 [0,0,0,0,0,2|2,0,0]=4 6470 B14R1.482 NC(=O)COc1ccccc1OCF 7a_100000162348_100015361967 [0,0,0,0,0,2|1,0,0]=3 6471 B14R1.482 NC(=O)COc1ccccc1SCF 62a_200000148491_100015361967 [0,0,0,0,0,2|1,1,0]=4 6472 B14R1.482 NC(=O)CSc1ccccc1CCO 62a_100000731337_100000747473 [0,0,0,0,0,2|2,0,0]=4 6473 B14R1.482 NC(=O)CSc1ccccc1CCO 62a_100000747473_100000731337 [0,0,0,0,0,2|2,0,0]=4 6474 B14R1.482 NC(=O)CSc1ccccc1NCF 7a_100000187061_100015361967 [0,0,0,0,0,2|2,0,0]=4 6475 B14R1.482 NCCc1ccccc1OCC(=O)N 34a_100011207237_100000187820 [0,0,0,0,0,2|2,0,0]=4 6476 B14R1.482 NCCc1ccccc1SCC(=O)N 62a_100000747383_100000747473 [0,0,0,0,0,2|2,0,0]=4 6477 B14R1.482 NCCc1ccccc1SCC(=O)N 62a_100000747473_100000747383 [0,0,0,0,0,2|2,0,0]=4