0 B12R1.286 C=C=Cc1c[nH]c(=O)c(c1)OC 271570a_100015277604_100010125397 [0,0,0,0,0,0|1,0,3]=4 1 B12R1.286 C=C=Cc1cc(c(cn1)C)OC 271570a_100015277604_100010067687 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.286 C=C=Cc1cc(c(cn1)F)OC 271570a_100015277604_200010136270 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.286 C=C=Cc1cc(c(cn1)N)OC 271570a_100015277604_100009887741 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.286 C=C=Cc1ccc(c(c1)C#N)O 271570a_100015277604_100000687585 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.286 C=C=Cc1ccc(c(c1)C=O)O 271570a_100015277604_100000186750 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.286 C=C=Cc1ccc(c(c1)CC)Br 271570a_100015277604_100010244631 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.286 C=C=Cc1ccc(c(c1)CC)F 271570a_100015277604_100010244625 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.286 C=C=Cc1ccc(c(c1)CC)N 271570a_100015277604_100000686106 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.286 C=C=Cc1ccc(c(c1)CC)O 271570a_100015277604_100012338938 [0,0,0,0,0,0|1,0,2]=3 10 B12R1.286 C=C=Cc1ccc(c(c1)CN)O 271570a_100015277604_100000730032 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.286 C=C=Cc1ccc(c(c1)CO)O 271570a_100015277604_100000184703 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.286 C=C=Cc1ccc(c(c1)NC)C 271570a_100015277604_100020629602 [0,0,0,0,0,0|2,0,2]=4 13 B12R1.286 C=C=Cc1ccc(c(c1)NC)F 271570a_100015277604_100011314990 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.286 C=C=Cc1ccc(c(c1)NC)N 271570a_100015277604_100000694363 [0,0,0,0,0,0|2,0,2]=4 15 B12R1.286 C=C=Cc1ccc(c(c1)OC)Br 271570a_100015277604_100012353699 [0,0,0,0,0,0|1,0,2]=3 16 B12R1.286 C=C=Cc1ccc(c(c1)OC)C 271570a_100015277604_100011830276 [0,0,0,0,0,0|1,0,2]=3 17 B12R1.286 C=C=Cc1ccc(c(c1)OC)Cl 271570a_100015277604_100011356853 [0,0,0,0,0,0|1,0,2]=3 18 B12R1.286 C=C=Cc1ccc(c(c1)OC)F 271570a_100015277604_100011934186 [0,0,0,0,0,0|1,0,2]=3 19 B12R1.286 C=C=Cc1ccc(c(c1)OC)N 271570a_100015277604_100011279103 [0,0,0,0,0,0|1,0,2]=3 20 B12R1.286 C=C=Cc1ccc(c(c1)OC)O 271570a_100015277604_100000694246 [0,0,0,0,0,0|0,0,2]=2 21 B12R1.286 C=C=Cc1ccc(c(c1)SC)F 271570a_100015277604_100010341305 [0,0,0,0,0,0|1,1,2]=4 22 B12R1.286 C=C=Cc1ccc(c(n1)OC)N 271570a_100015277604_100000687816 [0,0,0,0,0,0|2,0,2]=4 23 B12R1.286 C=C=Cc1ccc(c(n1)OC)O 271570a_100015277604_100010893133 [0,0,0,0,0,0|1,0,2]=3 24 B12R1.286 C=C=Cc1cnc(c(c1)OC)C 271570a_100015277604_100010254219 [0,0,0,0,0,0|2,0,2]=4 25 B12R1.286 C=C=Cc1cnc(c(c1)OC)F 271570a_100015277604_100010214931 [0,0,0,0,0,0|2,0,2]=4 26 B12R1.286 C=C=Cc1cnc(c(c1)OC)N 271570a_100015277604_106354213024 [0,0,0,0,0,0|2,0,2]=4 27 B12R1.286 C=C=Cc1cnc(c(n1)OC)O 271570a_100015277604_200010365344 [0,0,0,0,0,0|2,0,2]=4 28 B12R1.286 CC=Cc1c[nH]c(=O)c(c1)OC 271570a_100016259895_100010125397 [0,0,0,0,0,0|1,0,1]=2 29 B12R1.286 CC=Cc1cc(c(cn1)C)OC 271570a_100016259895_100010067687 [0,0,0,0,0,0|2,0,0]=2 30 B12R1.286 CC=Cc1cc(c(cn1)F)C#N 271570a_100016259895_100000709737 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.286 CC=Cc1cc(c(cn1)F)C=O 271570a_100016259895_100000707870 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.286 CC=Cc1cc(c(cn1)F)CO 271570a_100016259895_100000081974 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.286 CC=Cc1cc(c(cn1)F)OC 271570a_100016259895_200010136270 [0,0,0,0,0,0|2,0,0]=2 34 B12R1.286 CC=Cc1cc(c(cn1)N)OC 271570a_100016259895_100009887741 [0,0,0,0,0,0|2,0,0]=2 35 B12R1.286 CC=Cc1cc(c(nn1)N)OC 271570a_100016259895_100000688033 [0,0,0,0,0,0|3,0,0]=3 36 B12R1.286 CC=Cc1ccc(=O)n(c1)CC 271570a_100016259895_100000231005 [0,0,0,0,0,0|2,0,1]=3 37 B12R1.286 CC=Cc1ccc(c(c1)C#N)Br 271570a_100016259895_100012355174 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.286 CC=Cc1ccc(c(c1)C#N)C 271570a_100016259895_100000698047 [0,0,0,0,0,0|3,0,0]=3 39 B12R1.286 CC=Cc1ccc(c(c1)C#N)Cl 271570a_100016259895_100011356831 [0,0,0,0,0,0|3,0,0]=3 40 B12R1.286 CC=Cc1ccc(c(c1)C#N)F 271570a_100016259895_100000037165 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.286 CC=Cc1ccc(c(c1)C#N)N 271570a_100016259895_100000688460 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.286 CC=Cc1ccc(c(c1)C#N)O 271570a_100016259895_100000687585 [0,0,0,0,0,0|2,0,0]=2 43 B12R1.286 CC=Cc1ccc(c(c1)C=O)Br 271570a_100016259895_100010185652 [0,0,0,0,0,0|3,0,0]=3 44 B12R1.286 CC=Cc1ccc(c(c1)C=O)C 271570a_100016259895_100011361606 [0,0,0,0,0,0|3,0,0]=3 45 B12R1.286 CC=Cc1ccc(c(c1)C=O)Cl 271570a_100016259895_100010254384 [0,0,0,0,0,0|3,0,0]=3 46 B12R1.286 CC=Cc1ccc(c(c1)C=O)F 271570a_100016259895_100000211465 [0,0,0,0,0,0|3,0,0]=3 47 B12R1.286 CC=Cc1ccc(c(c1)C=O)N 271570a_100016259895_100011935258 [0,0,0,0,0,0|3,0,0]=3 48 B12R1.286 CC=Cc1ccc(c(c1)C=O)O 271570a_100016259895_100000186750 [0,0,0,0,0,0|2,0,0]=2 49 B12R1.286 CC=Cc1ccc(c(c1)CC)Br 271570a_100016259895_100010244631 [0,0,0,0,0,0|2,0,0]=2 50 B12R1.286 CC=Cc1ccc(c(c1)CC)F 271570a_100016259895_100010244625 [0,0,0,0,0,0|2,0,0]=2 51 B12R1.286 CC=Cc1ccc(c(c1)CC)N 271570a_100016259895_100000686106 [0,0,0,0,0,0|2,0,0]=2 52 B12R1.286 CC=Cc1ccc(c(c1)CC)O 271570a_100016259895_100012338938 [0,0,0,0,0,0|1,0,0]=1 53 B12R1.286 CC=Cc1ccc(c(c1)CN)F 271570a_100016259895_100009815772 [0,0,0,0,0,0|3,0,0]=3 54 B12R1.286 CC=Cc1ccc(c(c1)CN)N 271570a_100016259895_100012349119 [0,0,0,0,0,0|3,0,0]=3 55 B12R1.286 CC=Cc1ccc(c(c1)CN)O 271570a_100016259895_100000730032 [0,0,0,0,0,0|2,0,0]=2 56 B12R1.286 CC=Cc1ccc(c(c1)CO)Br 271570a_100016259895_100012359683 [0,0,0,0,0,0|3,0,0]=3 57 B12R1.286 CC=Cc1ccc(c(c1)CO)C 271570a_100016259895_100000700630 [0,0,0,0,0,0|3,0,0]=3 58 B12R1.286 CC=Cc1ccc(c(c1)CO)Cl 271570a_100016259895_100010128486 [0,0,0,0,0,0|3,0,0]=3 59 B12R1.286 CC=Cc1ccc(c(c1)CO)F 271570a_100016259895_100000049604 [0,0,0,0,0,0|3,0,0]=3 60 B12R1.286 CC=Cc1ccc(c(c1)CO)N 271570a_100016259895_100012353972 [0,0,0,0,0,0|3,0,0]=3 61 B12R1.286 CC=Cc1ccc(c(c1)CO)O 271570a_100016259895_100000184703 [0,0,0,0,0,0|2,0,0]=2 62 B12R1.286 CC=Cc1ccc(c(c1)NC)C 271570a_100016259895_100020629602 [0,0,0,0,0,0|2,0,0]=2 63 B12R1.286 CC=Cc1ccc(c(c1)NC)F 271570a_100016259895_100011314990 [0,0,0,0,0,0|2,0,0]=2 64 B12R1.286 CC=Cc1ccc(c(c1)NC)N 271570a_100016259895_100000694363 [0,0,0,0,0,0|2,0,0]=2 65 B12R1.286 CC=Cc1ccc(c(c1)NN)F 271570a_100016259895_100020610843 [0,0,0,0,0,0|3,0,0]=3 66 B12R1.286 CC=Cc1ccc(c(c1)OC)Br 271570a_100016259895_100012353699 [0,0,0,0,0,0|1,0,0]=1 67 B12R1.286 CC=Cc1ccc(c(c1)OC)C 271570a_100016259895_100011830276 [0,0,0,0,0,0|1,0,0]=1 68 B12R1.286 CC=Cc1ccc(c(c1)OC)Cl 271570a_100016259895_100011356853 [0,0,0,0,0,0|1,0,0]=1 69 B12R1.286 CC=Cc1ccc(c(c1)OC)F 271570a_100016259895_100011934186 [0,0,0,0,0,0|1,0,0]=1 70 B12R1.286 CC=Cc1ccc(c(c1)OC)N 271570a_100016259895_100011279103 [0,0,0,0,0,0|1,0,0]=1 71 B12R1.286 CC=Cc1ccc(c(c1)OC)O 271570a_100016259895_100000694246 [0,0,0,0,0,0|0,0,0]=0 72 B12R1.286 CC=Cc1ccc(c(c1)SC)F 271570a_100016259895_100010341305 [0,0,0,0,0,0|1,1,0]=2 73 B12R1.286 CC=Cc1ccc(c(n1)C#N)C 271570a_100016259895_100000709982 [0,0,0,0,0,0|4,0,0]=4 74 B12R1.286 CC=Cc1ccc(c(n1)C#N)F 271570a_100016259895_100000722900 [0,0,0,0,0,0|4,0,0]=4 75 B12R1.286 CC=Cc1ccc(c(n1)C#N)N 271570a_100016259895_100000068710 [0,0,0,0,0,0|4,0,0]=4 76 B12R1.286 CC=Cc1ccc(c(n1)C=O)F 271570a_100016259895_100009814804 [0,0,0,0,0,0|4,0,0]=4 77 B12R1.286 CC=Cc1ccc(c(n1)CC)N 271570a_100016259895_100009871203 [0,0,0,0,0,0|3,0,0]=3 78 B12R1.286 CC=Cc1ccc(c(n1)CN)F 271570a_100016259895_100009887702 [0,0,0,0,0,0|4,0,0]=4 79 B12R1.286 CC=Cc1ccc(c(n1)OC)N 271570a_100016259895_100000687816 [0,0,0,0,0,0|2,0,0]=2 80 B12R1.286 CC=Cc1ccc(c(n1)OC)O 271570a_100016259895_100010893133 [0,0,0,0,0,0|1,0,0]=1 81 B12R1.286 CC=Cc1cnc(c(c1)C#N)C 271570a_100016259895_200016216807 [0,0,0,0,0,0|4,0,0]=4 82 B12R1.286 CC=Cc1cnc(c(c1)C#N)Cl 271570a_100016259895_100012357031 [0,0,0,0,0,0|4,0,0]=4 83 B12R1.286 CC=Cc1cnc(c(c1)C#N)F 271570a_100016259895_100010136711 [0,0,0,0,0,0|4,0,0]=4 84 B12R1.286 CC=Cc1cnc(c(c1)C#N)N 271570a_100016259895_100000693231 [0,0,0,0,0,0|4,0,0]=4 85 B12R1.286 CC=Cc1cnc(c(c1)C#N)O 271570a_100016259895_100000697733 [0,0,0,0,0,0|3,0,0]=3 86 B12R1.286 CC=Cc1cnc(c(c1)C=O)F 271570a_100016259895_100009814789 [0,0,0,0,0,0|4,0,0]=4 87 B12R1.286 CC=Cc1cnc(c(c1)C=O)N 271570a_100016259895_100009814808 [0,0,0,0,0,0|4,0,0]=4 88 B12R1.286 CC=Cc1cnc(c(c1)CO)C 271570a_100016259895_100010894652 [0,0,0,0,0,0|4,0,0]=4 89 B12R1.286 CC=Cc1cnc(c(c1)CO)F 271570a_100016259895_100010202234 [0,0,0,0,0,0|4,0,0]=4 90 B12R1.286 CC=Cc1cnc(c(c1)CO)N 271570a_100016259895_100011934449 [0,0,0,0,0,0|4,0,0]=4 91 B12R1.286 CC=Cc1cnc(c(c1)CO)O 271570a_100016259895_100010065268 [0,0,0,0,0,0|3,0,0]=3 92 B12R1.286 CC=Cc1cnc(c(c1)NC)N 271570a_100016259895_100010506235 [0,0,0,0,0,0|3,0,0]=3 93 B12R1.286 CC=Cc1cnc(c(c1)OC)C 271570a_100016259895_100010254219 [0,0,0,0,0,0|2,0,0]=2 94 B12R1.286 CC=Cc1cnc(c(c1)OC)F 271570a_100016259895_100010214931 [0,0,0,0,0,0|2,0,0]=2 95 B12R1.286 CC=Cc1cnc(c(c1)OC)N 271570a_100016259895_106354213024 [0,0,0,0,0,0|2,0,0]=2 96 B12R1.286 CC=Cc1cnc(c(n1)OC)N 271570a_100016259895_100009816943 [0,0,0,0,0,0|3,0,0]=3 97 B12R1.286 CC=Cc1cnc(c(n1)OC)O 271570a_100016259895_200010365344 [0,0,0,0,0,0|2,0,0]=2 98 B12R1.286 CC=Cc1ncc(c(n1)CC)F 271570a_100016259895_100009843034 [0,0,0,0,0,0|4,0,0]=4 99 B12R1.286 CC=Cc1ncc(c(n1)NC)F 271570a_100016259895_100000185923 [0,0,0,0,0,0|4,0,0]=4 100 B12R1.286 CC=Cc1ncc(c(n1)OC)C 271570a_100016259895_100012500371 [0,0,0,0,0,0|3,0,0]=3 101 B12R1.286 CC=Cc1ncc(c(n1)OC)F 271570a_100016259895_100012183945 [0,0,0,0,0,0|3,0,0]=3 102 B12R1.286 CC=Cc1ncc(c(n1)OC)N 271570a_100016259895_100012122185 [0,0,0,0,0,0|3,0,0]=3 103 B12R1.286 CC=Cc1ncc(c(n1)SC)C 271570a_100016259895_100012501347 [0,0,0,0,0,0|3,1,0]=4 104 B12R1.286 CC=Cc1ncc(c(n1)SC)F 271570a_100016259895_100012187453 [0,0,0,0,0,0|3,1,0]=4 105 B12R1.286 CCNc1ccc(c(c1)C#N)O 34a_100011249283_100000210202 [0,0,0,0,0,0|3,0,1]=4 106 B12R1.286 CCNc1ccc(c(c1)CC)Br 2230a_100010109747_100000210202 [0,0,0,0,0,0|3,0,1]=4 107 B12R1.286 CCNc1ccc(c(c1)CC)Br 34a_100010109747_100000210202 [0,0,0,0,0,0|3,0,1]=4 108 B12R1.286 CCNc1ccc(c(c1)CC)Br 7a_100010109747_100000210202 [0,0,0,0,0,0|3,0,1]=4 109 B12R1.286 CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210202 [0,0,0,0,0,0|2,0,1]=3 110 B12R1.286 CCNc1ccc(c(c1)OC)Br 34a_100000765947_100000210202 [0,0,0,0,0,0|2,0,1]=3 111 B12R1.286 CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210202 [0,0,0,0,0,0|2,0,1]=3 112 B12R1.286 CCNc1ccc(c(c1)OC)C 34a_100011279678_100000210202 [0,0,0,0,0,0|2,0,1]=3 113 B12R1.286 CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210202 [0,0,0,0,0,0|2,0,1]=3 114 B12R1.286 CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000210202 [0,0,0,0,0,0|2,0,1]=3 115 B12R1.286 CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210202 [0,0,0,0,0,0|2,0,1]=3 116 B12R1.286 CCNc1ccc(c(c1)OC)F 34a_100000701188_100000210202 [0,0,0,0,0,0|2,0,1]=3 117 B12R1.286 CCNc1ccc(c(c1)OC)I 34a_100000746945_100000210202 [0,0,0,0,0,0|2,0,1]=3 118 B12R1.286 CCNc1ccc(c(c1)OC)O 34a_100000726020_100000210202 [0,0,0,0,0,0|1,0,1]=2 119 B12R1.286 CCOc1ccc(c(c1)C=O)O 271570a_203496583355_100012345016 [0,0,0,0,0,0|3,0,1]=4 120 B12R1.286 CCOc1ccc(c(c1)CC)Cl 34a_100000212063_100000210202 [0,0,0,0,0,0|3,0,1]=4 121 B12R1.286 CCOc1ccc(c(c1)CC)Cl 7a_100000212063_100000210202 [0,0,0,0,0,0|3,0,1]=4 122 B12R1.286 CCOc1ccc(c(c1)OC)Br 34a_100011827694_100000210202 [0,0,0,0,0,0|2,0,1]=3 123 B12R1.286 CCOc1ccc(c(c1)OC)Br 7a_100011827694_100000210202 [0,0,0,0,0,0|2,0,1]=3 124 B12R1.286 CCOc1ccc(c(c1)OC)C 34a_100009865632_100000210202 [0,0,0,0,0,0|2,0,1]=3 125 B12R1.286 CCOc1ccc(c(c1)OC)C 7a_100009865632_100000210202 [0,0,0,0,0,0|2,0,1]=3 126 B12R1.286 CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000210202 [0,0,0,0,0,0|2,0,1]=3 127 B12R1.286 CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000210202 [0,0,0,0,0,0|2,0,1]=3 128 B12R1.286 CCOc1ccc(c(c1)OC)F 34a_100012001760_100000210202 [0,0,0,0,0,0|2,0,1]=3 129 B12R1.286 CCOc1ccc(c(c1)OC)F 7a_100012001760_100000210202 [0,0,0,0,0,0|2,0,1]=3 130 B12R1.286 CCOc1ccc(c(c1)OC)N 34a_100015326901_100000210202 [0,0,0,0,0,0|2,0,1]=3 131 B12R1.286 CCOc1ccc(c(c1)OC)N 7a_100015326901_100000210202 [0,0,0,0,0,0|2,0,1]=3 132 B12R1.286 CCOc1ccc(c(c1)SC)C 62a_200000210301_100011099959 [0,0,0,0,0,0|2,1,1]=4 133 B12R1.286 CCOc1ccc(c(c1)S[13CH3])C 62a_200025704644_100011099959 [0,0,0,0,0,0|2,1,1]=4 134 B12R1.286 CCSc1c[nH]c(=O)c(c1)OC 62a_100000210202_100010125397 [0,0,0,0,0,0|2,0,2]=4 135 B12R1.286 CCSc1cc(c(cn1)C)OC 62a_100000210202_100010067687 [0,0,0,0,0,0|3,0,1]=4 136 B12R1.286 CCSc1cc(c(cn1)C)OC 62a_100010067687_100000210202 [0,0,0,0,0,0|3,0,1]=4 137 B12R1.286 CCSc1cc(c(cn1)F)OC 62a_100000210202_200010136270 [0,0,0,0,0,0|3,0,1]=4 138 B12R1.286 CCSc1cc(c(cn1)F)OC 62a_200010136270_100000210202 [0,0,0,0,0,0|3,0,1]=4 139 B12R1.286 CCSc1cc(c(cn1)N)OC 62a_100000210202_100009887741 [0,0,0,0,0,0|3,0,1]=4 140 B12R1.286 CCSc1cc(c(cn1)N)OC 62a_100009887741_100000210202 [0,0,0,0,0,0|3,0,1]=4 141 B12R1.286 CCSc1ccc(c(c1)C#N)O 62a_100000210202_100000687585 [0,0,0,0,0,0|3,0,1]=4 142 B12R1.286 CCSc1ccc(c(c1)C=O)O 62a_100000210202_100000186750 [0,0,0,0,0,0|3,0,1]=4 143 B12R1.286 CCSc1ccc(c(c1)CC)Br 62a_100000210202_100010244631 [0,0,0,0,0,0|3,0,1]=4 144 B12R1.286 CCSc1ccc(c(c1)CC)Br 62a_100010244631_100000210202 [0,0,0,0,0,0|3,0,1]=4 145 B12R1.286 CCSc1ccc(c(c1)CC)F 62a_100000210202_100010244625 [0,0,0,0,0,0|3,0,1]=4 146 B12R1.286 CCSc1ccc(c(c1)CC)F 62a_100010244625_100000210202 [0,0,0,0,0,0|3,0,1]=4 147 B12R1.286 CCSc1ccc(c(c1)CC)N 62a_100000210202_100000686106 [0,0,0,0,0,0|3,0,1]=4 148 B12R1.286 CCSc1ccc(c(c1)CC)N 62a_100000686106_100000210202 [0,0,0,0,0,0|3,0,1]=4 149 B12R1.286 CCSc1ccc(c(c1)CC)O 62a_100000210202_100012338938 [0,0,0,0,0,0|2,0,1]=3 150 B12R1.286 CCSc1ccc(c(c1)CN)O 62a_100000210202_100000730032 [0,0,0,0,0,0|3,0,1]=4 151 B12R1.286 CCSc1ccc(c(c1)CN)O 62a_100000730032_100000210202 [0,0,0,0,0,0|3,0,1]=4 152 B12R1.286 CCSc1ccc(c(c1)CO)O 62a_100000184703_100000210202 [0,0,0,0,0,0|3,0,1]=4 153 B12R1.286 CCSc1ccc(c(c1)CO)O 62a_100000210202_100000184703 [0,0,0,0,0,0|3,0,1]=4 154 B12R1.286 CCSc1ccc(c(c1)NC)C 62a_100000210202_100020629602 [0,0,0,0,0,0|3,0,1]=4 155 B12R1.286 CCSc1ccc(c(c1)NC)C 62a_100020629602_100000210202 [0,0,0,0,0,0|3,0,1]=4 156 B12R1.286 CCSc1ccc(c(c1)NC)F 62a_100000210202_100011314990 [0,0,0,0,0,0|3,0,1]=4 157 B12R1.286 CCSc1ccc(c(c1)NC)F 62a_100011314990_100000210202 [0,0,0,0,0,0|3,0,1]=4 158 B12R1.286 CCSc1ccc(c(c1)NC)N 62a_100000694363_100000210202 [0,0,0,0,0,0|3,0,1]=4 159 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100000210202_100012353699 [0,0,0,0,0,0|2,0,1]=3 160 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210202 [0,0,0,0,0,0|2,0,1]=3 161 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100000210202_100011830276 [0,0,0,0,0,0|2,0,1]=3 162 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210202 [0,0,0,0,0,0|2,0,1]=3 163 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100000210202_100011356853 [0,0,0,0,0,0|2,0,1]=3 164 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210202 [0,0,0,0,0,0|2,0,1]=3 165 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100000210202_100011934186 [0,0,0,0,0,0|2,0,1]=3 166 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210202 [0,0,0,0,0,0|2,0,1]=3 167 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100000210202_100015196925 [0,0,0,0,0,0|2,0,1]=3 168 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210202 [0,0,0,0,0,0|2,0,1]=3 169 B12R1.286 CCSc1ccc(c(c1)OC)O 62a_100000210202_100000694246 [0,0,0,0,0,0|1,0,1]=2 170 B12R1.286 CCSc1ccc(c(c1)SC)F 62a_100000210202_100010341305 [0,0,0,0,0,0|2,1,1]=4 171 B12R1.286 CCSc1ccc(c(c1)SC)F 62a_100010341305_100000210202 [0,0,0,0,0,0|2,1,1]=4 172 B12R1.286 CCSc1ccc(c(n1)OC)N 62a_100000210202_100000687816 [0,0,0,0,0,0|3,0,1]=4 173 B12R1.286 CCSc1ccc(c(n1)OC)N 62a_100000687816_100000210202 [0,0,0,0,0,0|3,0,1]=4 174 B12R1.286 CCSc1ccc(c(n1)OC)O 62a_100000210202_100010893133 [0,0,0,0,0,0|2,0,1]=3 175 B12R1.286 CCSc1cnc(c(c1)OC)C 62a_100000210202_100010254219 [0,0,0,0,0,0|3,0,1]=4 176 B12R1.286 CCSc1cnc(c(c1)OC)C 62a_100010254219_100000210202 [0,0,0,0,0,0|3,0,1]=4 177 B12R1.286 CCSc1cnc(c(c1)OC)F 62a_100000210202_100010214931 [0,0,0,0,0,0|3,0,1]=4 178 B12R1.286 CCSc1cnc(c(c1)OC)F 62a_100010214931_100000210202 [0,0,0,0,0,0|3,0,1]=4 179 B12R1.286 CCSc1cnc(c(c1)OC)N 62a_100000210202_106354213024 [0,0,0,0,0,0|3,0,1]=4 180 B12R1.286 CCSc1cnc(c(c1)OC)N 62a_106354213024_100000210202 [0,0,0,0,0,0|3,0,1]=4 181 B12R1.286 CCSc1cnc(c(n1)OC)O 62a_100000210202_200010365344 [0,0,0,0,0,0|3,0,1]=4 182 B12R1.286 CCSc1cnc(c(n1)OC)O 62a_200010365344_100000210202 [0,0,0,0,0,0|3,0,1]=4 183 B12R1.286 CCc1cc(ccc1Cl)CNC 26a_100102657272_100000212063 [0,0,0,0,0,0|3,0,1]=4 184 B12R1.286 CCc1cc(ccc1F)CNC 207a_100102657272_100009840867 [0,0,0,0,0,0|3,0,1]=4 185 B12R1.286 CCc1cc(ccc1F)CNC 2230a_114873767189_200000210301 [0,0,0,0,0,0|3,0,1]=4 186 B12R1.286 CCc1cc(ccc1F)CNC 269862a_106832991636_100009840867 [0,0,0,0,0,0|3,0,1]=4 187 B12R1.286 CCc1cc(ccc1F)CNC 270004a_106832991635_100009840867 [0,0,0,0,0,0|3,0,1]=4 188 B12R1.286 CCc1cc(ccc1F)CNC 34a_114873767189_200000210301 [0,0,0,0,0,0|3,0,1]=4 189 B12R1.286 CCc1cc(ccc1F)CN[13CH3] 2230a_114873767189_200025704644 [0,0,0,0,0,0|3,0,1]=4 190 B12R1.286 CCc1cc(ccc1F)CN[13CH3] 34a_114873767189_200025704644 [0,0,0,0,0,0|3,0,1]=4 191 B12R1.286 CCc1cc(ccc1O)SCF 62a_100015361967_100012338938 [0,0,0,0,0,0|3,0,1]=4 192 B12R1.286 CNCc1ccc(c(c1)C=O)O 7a_106832991635_100000008128 [0,0,0,0,0,0|3,0,1]=4 193 B12R1.286 CNCc1ccc(c(c1)OC)Br 207a_100102657272_100010244714 [0,0,0,0,0,0|2,0,1]=3 194 B12R1.286 CNCc1ccc(c(c1)OC)Br 2230a_106832991635_100010110085 [0,0,0,0,0,0|2,0,1]=3 195 B12R1.286 CNCc1ccc(c(c1)OC)Br 26a_100102657272_100011827694 [0,0,0,0,0,0|2,0,1]=3 196 B12R1.286 CNCc1ccc(c(c1)OC)Br 270004a_106832991635_100010244714 [0,0,0,0,0,0|2,0,1]=3 197 B12R1.286 CNCc1ccc(c(c1)OC)Br 34a_100102657272_100010110085 [0,0,0,0,0,0|2,0,1]=3 198 B12R1.286 CNCc1ccc(c(c1)OC)Br 7a_106832991635_100010110085 [0,0,0,0,0,0|2,0,1]=3 199 B12R1.286 CNCc1ccc(c(c1)OC)C 207a_100102657272_100000719150 [0,0,0,0,0,0|2,0,1]=3 200 B12R1.286 CNCc1ccc(c(c1)OC)C 270004a_106832991635_100000719150 [0,0,0,0,0,0|2,0,1]=3 201 B12R1.286 CNCc1ccc(c(c1)OC)Cl 207a_100102657272_100011998524 [0,0,0,0,0,0|2,0,1]=3 202 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_100015204853_200000210301 [0,0,0,0,0,0|2,0,1]=3 203 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_106832991635_200010214485 [0,0,0,0,0,0|2,0,1]=3 204 B12R1.286 CNCc1ccc(c(c1)OC)Cl 26a_100102657272_100012186310 [0,0,0,0,0,0|2,0,1]=3 205 B12R1.286 CNCc1ccc(c(c1)OC)Cl 270004a_106832991635_100011998524 [0,0,0,0,0,0|2,0,1]=3 206 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100015204853_200000210301 [0,0,0,0,0,0|2,0,1]=3 207 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100102657272_200010214485 [0,0,0,0,0,0|2,0,1]=3 208 B12R1.286 CNCc1ccc(c(c1)OC)Cl 7a_106832991635_200010214485 [0,0,0,0,0,0|2,0,1]=3 209 B12R1.286 CNCc1ccc(c(c1)OC)F 207a_100102657272_100000692873 [0,0,0,0,0,0|2,0,1]=3 210 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_100020626639_200000210301 [0,0,0,0,0,0|2,0,1]=3 211 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_106832991635_100012349856 [0,0,0,0,0,0|2,0,1]=3 212 B12R1.286 CNCc1ccc(c(c1)OC)F 270004a_106832991635_100000692873 [0,0,0,0,0,0|2,0,1]=3 213 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100020626639_200000210301 [0,0,0,0,0,0|2,0,1]=3 214 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100102657272_100012349856 [0,0,0,0,0,0|2,0,1]=3 215 B12R1.286 CNCc1ccc(c(c1)OC)F 7a_106832991635_100012349856 [0,0,0,0,0,0|2,0,1]=3 216 B12R1.286 CNCc1ccc(c(c1)OC)O 34a_100000185554_200000210301 [0,0,0,0,0,0|1,0,1]=2 217 B12R1.286 CNCc1ccc(c(n1)OC)Br 2230a_106832991635_200010066506 [0,0,0,0,0,0|3,0,1]=4 218 B12R1.286 CNCc1ccc(c(n1)OC)Br 34a_100102657272_200010066506 [0,0,0,0,0,0|3,0,1]=4 219 B12R1.286 CNCc1ccc(c(n1)OC)Br 7a_106832991635_200010066506 [0,0,0,0,0,0|3,0,1]=4 220 B12R1.286 CNc1cc(ccc1Br)COC 34a_200013033220_200000210301 [0,0,0,0,0,0|3,0,1]=4 221 B12R1.286 COCc1cc(c(cn1)Br)OC 34a_100010999569_200000210301 [0,0,0,0,0,0|3,0,1]=4 222 B12R1.286 COCc1ccc(c(c1)N[13CH3])Br 34a_200013033220_200025704644 [0,0,0,0,0,0|3,0,1]=4 223 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100010234685_200000210301 [0,0,0,0,0,0|2,0,1]=3 224 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100138415774_100010110085 [0,0,0,0,0,0|2,0,1]=3 225 B12R1.286 COCc1ccc(c(c1)OC)Br 7a_100010234685_200000210301 [0,0,0,0,0,0|2,0,1]=3 226 B12R1.286 COCc1ccc(c(c1)OC)C 34a_100000752651_200000210301 [0,0,0,0,0,0|2,0,1]=3 227 B12R1.286 COCc1ccc(c(c1)OC)C 7a_100000752651_200000210301 [0,0,0,0,0,0|2,0,1]=3 228 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100012179228_200000210301 [0,0,0,0,0,0|2,0,1]=3 229 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100138415774_200010214485 [0,0,0,0,0,0|2,0,1]=3 230 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100000692429_200000210301 [0,0,0,0,0,0|2,0,1]=3 231 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100138415774_100012349856 [0,0,0,0,0,0|2,0,1]=3 232 B12R1.286 COCc1ccc(c(c1)OC)F 7a_100000692429_200000210301 [0,0,0,0,0,0|2,0,1]=3 233 B12R1.286 COCc1ccc(c(c1)OC)N 34a_100000087641_200000210301 [0,0,0,0,0,0|2,0,1]=3 234 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200000210301_200015395492 [0,0,0,0,0,0|2,1,1]=4 235 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200015395492_200000210301 [0,0,0,0,0,0|2,1,1]=4 236 B12R1.286 COCc1ccc(c(c1)SC)F 62a_200000210301_200011493689 [0,0,0,0,0,0|2,1,1]=4 237 B12R1.286 COCc1ccc(c(c1)SC)F 62a_200011493689_200000210301 [0,0,0,0,0,0|2,1,1]=4 238 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200015395492_200025704644 [0,0,0,0,0,0|2,1,1]=4 239 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200025704644_200015395492 [0,0,0,0,0,0|2,1,1]=4 240 B12R1.286 COCc1ccc(c(c1)S[13CH3])F 62a_200011493689_200025704644 [0,0,0,0,0,0|2,1,1]=4 241 B12R1.286 COCc1ccc(c(c1)S[13CH3])F 62a_200025704644_200011493689 [0,0,0,0,0,0|2,1,1]=4 242 B12R1.286 COCc1ccc(c(n1)OC)Br 34a_100138415774_200010066506 [0,0,0,0,0,0|3,0,1]=4 243 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 34a_100010234685_200025704644 [0,0,0,0,0,0|2,0,1]=3 244 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 7a_100010234685_200025704644 [0,0,0,0,0,0|2,0,1]=3 245 B12R1.286 COc1cc(ccc1Br)CSC 62a_100010110085_200000210301 [0,0,0,0,0,0|2,0,1]=3 246 B12R1.286 COc1cc(ccc1Br)CSC 62a_200000210301_100010110085 [0,0,0,0,0,0|2,0,1]=3 247 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_100010110085_200025704644 [0,0,0,0,0,0|2,0,1]=3 248 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100010110085 [0,0,0,0,0,0|2,0,1]=3 249 B12R1.286 COc1cc(ccc1Br)NCF 34a_100000765947_100015361967 [0,0,0,0,0,0|3,0,1]=4 250 B12R1.286 COc1cc(ccc1Br)OCF 34a_100011827694_100015361967 [0,0,0,0,0,0|3,0,1]=4 251 B12R1.286 COc1cc(ccc1Br)OCF 7a_100011827694_100015361967 [0,0,0,0,0,0|3,0,1]=4 252 B12R1.286 COc1cc(ccc1Br)SCF 62a_100012353699_100015361967 [0,0,0,0,0,0|3,0,1]=4 253 B12R1.286 COc1cc(ccc1Br)SCF 62a_100015361967_100012353699 [0,0,0,0,0,0|3,0,1]=4 254 B12R1.286 COc1cc(ccc1C)CO[13CH3] 34a_100000752651_200025704644 [0,0,0,0,0,0|2,0,1]=3 255 B12R1.286 COc1cc(ccc1C)CO[13CH3] 7a_100000752651_200025704644 [0,0,0,0,0,0|2,0,1]=3 256 B12R1.286 COc1cc(ccc1C)NCF 34a_100011279678_100015361967 [0,0,0,0,0,0|3,0,1]=4 257 B12R1.286 COc1cc(ccc1C)OCF 34a_100009865632_100015361967 [0,0,0,0,0,0|3,0,1]=4 258 B12R1.286 COc1cc(ccc1C)OCF 7a_100009865632_100015361967 [0,0,0,0,0,0|3,0,1]=4 259 B12R1.286 COc1cc(ccc1C)SCF 62a_100011830276_100015361967 [0,0,0,0,0,0|3,0,1]=4 260 B12R1.286 COc1cc(ccc1C)SCF 62a_100015361967_100011830276 [0,0,0,0,0,0|3,0,1]=4 261 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 2230a_100015204853_200025704644 [0,0,0,0,0,0|2,0,1]=3 262 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 34a_100015204853_200025704644 [0,0,0,0,0,0|2,0,1]=3 263 B12R1.286 COc1cc(ccc1Cl)CO[13CH3] 34a_100012179228_200025704644 [0,0,0,0,0,0|2,0,1]=3 264 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200000210301_200010214485 [0,0,0,0,0,0|2,0,1]=3 265 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200010214485_200000210301 [0,0,0,0,0,0|2,0,1]=3 266 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200010214485_200025704644 [0,0,0,0,0,0|2,0,1]=3 267 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_200010214485 [0,0,0,0,0,0|2,0,1]=3 268 B12R1.286 COc1cc(ccc1Cl)NCF 34a_100000742311_100015361967 [0,0,0,0,0,0|3,0,1]=4 269 B12R1.286 COc1cc(ccc1Cl)OCF 34a_100012186310_100015361967 [0,0,0,0,0,0|3,0,1]=4 270 B12R1.286 COc1cc(ccc1Cl)OCF 7a_100012186310_100015361967 [0,0,0,0,0,0|3,0,1]=4 271 B12R1.286 COc1cc(ccc1Cl)SCF 62a_100011356853_100015361967 [0,0,0,0,0,0|3,0,1]=4 272 B12R1.286 COc1cc(ccc1Cl)SCF 62a_100015361967_100011356853 [0,0,0,0,0,0|3,0,1]=4 273 B12R1.286 COc1cc(ccc1F)CN[13CH3] 2230a_100020626639_200025704644 [0,0,0,0,0,0|2,0,1]=3 274 B12R1.286 COc1cc(ccc1F)CN[13CH3] 34a_100020626639_200025704644 [0,0,0,0,0,0|2,0,1]=3 275 B12R1.286 COc1cc(ccc1F)CO[13CH3] 34a_100000692429_200025704644 [0,0,0,0,0,0|2,0,1]=3 276 B12R1.286 COc1cc(ccc1F)CO[13CH3] 7a_100000692429_200025704644 [0,0,0,0,0,0|2,0,1]=3 277 B12R1.286 COc1cc(ccc1F)CSC 62a_100012349856_200000210301 [0,0,0,0,0,0|2,0,1]=3 278 B12R1.286 COc1cc(ccc1F)CSC 62a_200000210301_100012349856 [0,0,0,0,0,0|2,0,1]=3 279 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_100012349856_200025704644 [0,0,0,0,0,0|2,0,1]=3 280 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_200025704644_100012349856 [0,0,0,0,0,0|2,0,1]=3 281 B12R1.286 COc1cc(ccc1F)NCF 34a_100000701188_100015361967 [0,0,0,0,0,0|3,0,1]=4 282 B12R1.286 COc1cc(ccc1F)OCF 34a_100012001760_100015361967 [0,0,0,0,0,0|3,0,1]=4 283 B12R1.286 COc1cc(ccc1F)OCF 7a_100012001760_100015361967 [0,0,0,0,0,0|3,0,1]=4 284 B12R1.286 COc1cc(ccc1F)SCF 62a_100011934186_100015361967 [0,0,0,0,0,0|3,0,1]=4 285 B12R1.286 COc1cc(ccc1F)SCF 62a_100015361967_100011934186 [0,0,0,0,0,0|3,0,1]=4 286 B12R1.286 COc1cc(ccc1I)NCF 34a_100000746945_100015361967 [0,0,0,0,0,0|3,0,1]=4 287 B12R1.286 COc1cc(ccc1N)CO[13CH3] 34a_100000087641_200025704644 [0,0,0,0,0,0|2,0,1]=3 288 B12R1.286 COc1cc(ccc1N)OCF 34a_100015326901_100015361967 [0,0,0,0,0,0|3,0,1]=4 289 B12R1.286 COc1cc(ccc1N)OCF 7a_100015326901_100015361967 [0,0,0,0,0,0|3,0,1]=4 290 B12R1.286 COc1cc(ccc1N)SCF 62a_100011279103_100015361967 [0,0,0,0,0,0|3,0,1]=4 291 B12R1.286 COc1cc(ccc1N)SCF 62a_100015361967_100015196925 [0,0,0,0,0,0|3,0,1]=4 292 B12R1.286 COc1cc(ccc1O)CC#N 271570a_203496583355_100010176002 [0,0,0,0,0,0|1,0,2]=3 293 B12R1.286 COc1cc(ccc1O)CN[13CH3] 34a_100000185554_200025704644 [0,0,0,0,0,0|1,0,1]=2 294 B12R1.286 COc1cc(ccc1O)NCF 34a_100000726020_100015361967 [0,0,0,0,0,0|2,0,1]=3 295 B12R1.286 COc1cc(ccc1O)SCF 62a_100015361967_100000694246 [0,0,0,0,0,0|2,0,1]=3 296 B12R1.286 COc1cc(ncc1Br)CO[13CH3] 34a_100010999569_200025704644 [0,0,0,0,0,0|3,0,1]=4 297 B12R1.286 COc1nc(ccc1Br)CSC 62a_200000210301_200010066506 [0,0,0,0,0,0|3,0,1]=4 298 B12R1.286 COc1nc(ccc1Br)CSC 62a_200010066506_200000210301 [0,0,0,0,0,0|3,0,1]=4 299 B12R1.286 COc1nc(ccc1Br)CS[13CH3] 62a_200010066506_200025704644 [0,0,0,0,0,0|3,0,1]=4 300 B12R1.286 COc1nc(ccc1Br)CS[13CH3] 62a_200025704644_200010066506 [0,0,0,0,0,0|3,0,1]=4 301 B12R1.286 COc1nc(ccc1O)SCF 62a_100015361967_100010893133 [0,0,0,0,0,0|3,0,1]=4 302 B12R1.286 CSCc1ccc(c(c1)C=O)O 62a_200000210301_100000008128 [0,0,0,0,0,0|3,0,1]=4 303 B12R1.286 [13CH3]SCc1ccc(c(c1)C=O)O 62a_200025704644_100000008128 [0,0,0,0,0,0|3,0,1]=4 304 B11R1.189 C=C=Cc1cc(ccn1)OC 271570a_100015277604_100011216251 [1,0,0,0,0,0|1,0,2]=4 305 B11R1.189 C=C=Cc1cccc(c1)CC 271570a_100015277604_100000684523 [1,0,0,0,0,0|1,0,2]=4 306 B11R1.189 C=C=Cc1cccc(c1)NC 271570a_100015277604_100000219648 [1,0,0,0,0,0|1,0,2]=4 307 B11R1.189 C=C=Cc1cccc(c1)OC 271570a_100015277604_100000170001 [1,0,0,0,0,0|0,0,2]=3 308 B11R1.189 C=C=Cc1cccc(c1)SC 271570a_100015277604_100011215954 [1,0,0,0,0,0|0,1,2]=4 309 B11R1.189 C=C=Cc1cccc(n1)OC 271570a_100015277604_100000760917 [1,0,0,0,0,0|1,0,2]=4 310 B11R1.189 C=C=Cc1ccnc(c1)OC 271570a_100015277604_100000117307 [1,0,0,0,0,0|1,0,2]=4 311 B11R1.189 C=C=Cc1cncc(c1)OC 271570a_100015277604_100000684773 [1,0,0,0,0,0|1,0,2]=4 312 B11R1.189 C=CCc1cccc(c1)SC 62a_100009816576_200000210301 [1,0,0,0,0,0|0,1,2]=4 313 B11R1.189 C=CCc1cccc(c1)SC 62a_200000210301_100009816576 [1,0,0,0,0,0|0,1,2]=4 314 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_100009816576_200025704644 [1,0,0,0,0,0|0,1,2]=4 315 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_200025704644_100009816576 [1,0,0,0,0,0|0,1,2]=4 316 B11R1.189 CC#Cc1cccc(c1)SC 62a_200000210301_200009843338 [1,0,0,0,0,0|0,1,2]=4 317 B11R1.189 CC#Cc1cccc(c1)S[13CH3] 62a_200025704644_200009843338 [1,0,0,0,0,0|0,1,2]=4 318 B11R1.189 CC=Cc1cc(ccn1)C#N 271570a_100016259895_100011291639 [1,0,0,0,0,0|3,0,0]=4 319 B11R1.189 CC=Cc1cc(ccn1)C=O 271570a_100016259895_100011290808 [1,0,0,0,0,0|3,0,0]=4 320 B11R1.189 CC=Cc1cc(ccn1)CC 271570a_100016259895_100009817561 [1,0,0,0,0,0|2,0,0]=3 321 B11R1.189 CC=Cc1cc(ccn1)CO 271570a_100016259895_100009814636 [1,0,0,0,0,0|3,0,0]=4 322 B11R1.189 CC=Cc1cc(ccn1)NC 271570a_100016259895_100009869472 [1,0,0,0,0,0|2,0,0]=3 323 B11R1.189 CC=Cc1cc(ccn1)OC 271570a_100016259895_100011216251 [1,0,0,0,0,0|1,0,0]=2 324 B11R1.189 CC=Cc1cc(ccn1)SC 271570a_100016259895_100010883326 [1,0,0,0,0,0|1,1,0]=3 325 B11R1.189 CC=Cc1cc(cnn1)OC 271570a_100016259895_100000087634 [1,0,0,0,0,0|2,0,0]=3 326 B11R1.189 CC=Cc1cc(ncn1)CC 271570a_100016259895_100000744278 [1,0,0,0,0,0|3,0,0]=4 327 B11R1.189 CC=Cc1cc(ncn1)NC 271570a_100016259895_100000756605 [1,0,0,0,0,0|3,0,0]=4 328 B11R1.189 CC=Cc1cc(ncn1)OC 271570a_100016259895_100012187182 [1,0,0,0,0,0|2,0,0]=3 329 B11R1.189 CC=Cc1cc(ncn1)SC 271570a_100016259895_100011443430 [1,0,0,0,0,0|2,1,0]=4 330 B11R1.189 CC=Cc1cccc(c1)C#N 271570a_100016259895_100000189340 [1,0,0,0,0,0|2,0,0]=3 331 B11R1.189 CC=Cc1cccc(c1)C=O 271570a_100016259895_100000014684 [1,0,0,0,0,0|2,0,0]=3 332 B11R1.189 CC=Cc1cccc(c1)CC 271570a_100016259895_100000684523 [1,0,0,0,0,0|1,0,0]=2 333 B11R1.189 CC=Cc1cccc(c1)CF 271570a_100016259895_100010878472 [1,0,0,0,0,0|2,0,0]=3 334 B11R1.189 CC=Cc1cccc(c1)CN 271570a_100016259895_100000106179 [1,0,0,0,0,0|2,0,0]=3 335 B11R1.189 CC=Cc1cccc(c1)CO 271570a_100016259895_100000687537 [1,0,0,0,0,0|2,0,0]=3 336 B11R1.189 CC=Cc1cccc(c1)NC 271570a_100016259895_100000219648 [1,0,0,0,0,0|1,0,0]=2 337 B11R1.189 CC=Cc1cccc(c1)NN 271570a_100016259895_100000217339 [1,0,0,0,0,0|2,0,0]=3 338 B11R1.189 CC=Cc1cccc(c1)OC 271570a_100016259895_100000170001 [1,0,0,0,0,0|0,0,0]=1 339 B11R1.189 CC=Cc1cccc(c1)SC 271570a_100016259895_100011215954 [1,0,0,0,0,0|0,1,0]=2 340 B11R1.189 CC=Cc1cccc(n1)C#N 271570a_100016259895_100011934037 [1,0,0,0,0,0|3,0,0]=4 341 B11R1.189 CC=Cc1cccc(n1)C=O 271570a_100016259895_100000688028 [1,0,0,0,0,0|3,0,0]=4 342 B11R1.189 CC=Cc1cccc(n1)CC 271570a_100016259895_100009856026 [1,0,0,0,0,0|2,0,0]=3 343 B11R1.189 CC=Cc1cccc(n1)CN 271570a_100016259895_100016990191 [1,0,0,0,0,0|3,0,0]=4 344 B11R1.189 CC=Cc1cccc(n1)CO 271570a_100016259895_100000694195 [1,0,0,0,0,0|3,0,0]=4 345 B11R1.189 CC=Cc1cccc(n1)NC 271570a_100016259895_100000703281 [1,0,0,0,0,0|2,0,0]=3 346 B11R1.189 CC=Cc1cccc(n1)NN 271570a_100016259895_100009817029 [1,0,0,0,0,0|3,0,0]=4 347 B11R1.189 CC=Cc1cccc(n1)OC 271570a_100016259895_100000760917 [1,0,0,0,0,0|1,0,0]=2 348 B11R1.189 CC=Cc1cccc(n1)SC 271570a_100016259895_100011960944 [1,0,0,0,0,0|1,1,0]=3 349 B11R1.189 CC=Cc1ccnc(c1)C#N 271570a_100016259895_100000685610 [1,0,0,0,0,0|3,0,0]=4 350 B11R1.189 CC=Cc1ccnc(c1)C=O 271570a_100016259895_100011998288 [1,0,0,0,0,0|3,0,0]=4 351 B11R1.189 CC=Cc1ccnc(c1)CC 271570a_100016259895_100009820011 [1,0,0,0,0,0|2,0,0]=3 352 B11R1.189 CC=Cc1ccnc(c1)CN 271570a_100016259895_100000085674 [1,0,0,0,0,0|3,0,0]=4 353 B11R1.189 CC=Cc1ccnc(c1)CO 271570a_100016259895_100009819072 [1,0,0,0,0,0|3,0,0]=4 354 B11R1.189 CC=Cc1ccnc(c1)NC 271570a_100016259895_100009819592 [1,0,0,0,0,0|2,0,0]=3 355 B11R1.189 CC=Cc1ccnc(c1)NN 271570a_100016259895_100000764631 [1,0,0,0,0,0|3,0,0]=4 356 B11R1.189 CC=Cc1ccnc(c1)OC 271570a_100016259895_100000117307 [1,0,0,0,0,0|1,0,0]=2 357 B11R1.189 CC=Cc1ccnc(n1)NC 271570a_100016259895_100012000420 [1,0,0,0,0,0|3,0,0]=4 358 B11R1.189 CC=Cc1ccnc(n1)OC 271570a_100016259895_100000069072 [1,0,0,0,0,0|2,0,0]=3 359 B11R1.189 CC=Cc1ccnc(n1)SC 271570a_100016259895_100000032126 [1,0,0,0,0,0|2,1,0]=4 360 B11R1.189 CC=Cc1cncc(c1)C#N 271570a_100016259895_100000686085 [1,0,0,0,0,0|3,0,0]=4 361 B11R1.189 CC=Cc1cncc(c1)C=O 271570a_100016259895_100000687066 [1,0,0,0,0,0|3,0,0]=4 362 B11R1.189 CC=Cc1cncc(c1)CC 271570a_100016259895_200009819073 [1,0,0,0,0,0|2,0,0]=3 363 B11R1.189 CC=Cc1cncc(c1)CN 271570a_100016259895_100011249555 [1,0,0,0,0,0|3,0,0]=4 364 B11R1.189 CC=Cc1cncc(c1)CO 271570a_100016259895_100011259137 [1,0,0,0,0,0|3,0,0]=4 365 B11R1.189 CC=Cc1cncc(c1)NC 271570a_100016259895_100012184536 [1,0,0,0,0,0|2,0,0]=3 366 B11R1.189 CC=Cc1cncc(c1)NN 271570a_100016259895_100000727789 [1,0,0,0,0,0|3,0,0]=4 367 B11R1.189 CC=Cc1cncc(c1)OC 271570a_100016259895_100000684773 [1,0,0,0,0,0|1,0,0]=2 368 B11R1.189 CC=Cc1cncc(c1)SC 271570a_100016259895_100009816972 [1,0,0,0,0,0|1,1,0]=3 369 B11R1.189 CC=Cc1cncc(n1)NC 271570a_100016259895_100011529438 [1,0,0,0,0,0|3,0,0]=4 370 B11R1.189 CC=Cc1cncc(n1)OC 271570a_100016259895_100000756030 [1,0,0,0,0,0|2,0,0]=3 371 B11R1.189 CC=Cc1nccc(n1)CC 271570a_100016259895_100000100215 [1,0,0,0,0,0|3,0,0]=4 372 B11R1.189 CC=Cc1nccc(n1)NC 271570a_100016259895_100011649947 [1,0,0,0,0,0|3,0,0]=4 373 B11R1.189 CC=Cc1nccc(n1)OC 271570a_100016259895_100000182009 [1,0,0,0,0,0|2,0,0]=3 374 B11R1.189 CC=Cc1nccc(n1)SC 271570a_100016259895_100011650323 [1,0,0,0,0,0|2,1,0]=4 375 B11R1.189 CC=Cc1ncnc(n1)OC 271570a_100016259895_200010750123 [1,0,0,0,0,0|3,0,0]=4 376 B11R1.189 CCCc1cccc(c1)OC 34a_100000039106_200000210301 [1,0,0,0,0,0|0,0,2]=3 377 B11R1.189 CCCc1cccc(c1)OC 7a_100000039106_200000210301 [1,0,0,0,0,0|0,0,2]=3 378 B11R1.189 CCCc1cccc(c1)O[13CH3] 34a_100000039106_200025704644 [1,0,0,0,0,0|0,0,2]=3 379 B11R1.189 CCCc1cccc(c1)O[13CH3] 7a_100000039106_200025704644 [1,0,0,0,0,0|0,0,2]=3 380 B11R1.189 CCCc1cccc(c1)SC 62a_100000694964_200000210301 [1,0,0,0,0,0|0,1,2]=4 381 B11R1.189 CCCc1cccc(c1)SC 62a_200000210301_100000694964 [1,0,0,0,0,0|0,1,2]=4 382 B11R1.189 CCCc1cccc(c1)S[13CH3] 62a_100000694964_200025704644 [1,0,0,0,0,0|0,1,2]=4 383 B11R1.189 CCCc1cccc(c1)S[13CH3] 62a_200025704644_100000694964 [1,0,0,0,0,0|0,1,2]=4 384 B11R1.189 CCNc1cccc(c1)CC 2230a_100000211250_100000210202 [1,0,0,0,0,0|2,0,1]=4 385 B11R1.189 CCNc1cccc(c1)CC 34a_100000211250_100000210202 [1,0,0,0,0,0|2,0,1]=4 386 B11R1.189 CCNc1cccc(c1)CC 7a_100000211250_100000210202 [1,0,0,0,0,0|2,0,1]=4 387 B11R1.189 CCNc1cccc(c1)OC 34a_100000210024_100000210202 [1,0,0,0,0,0|1,0,1]=3 388 B11R1.189 CCNc1cccc(c1)OC 34a_100000717746_200000210301 [1,0,0,0,0,0|1,0,1]=3 389 B11R1.189 CCNc1cccc(c1)OC 7a_100000717746_200000210301 [1,0,0,0,0,0|1,0,1]=3 390 B11R1.189 CCNc1cccc(c1)O[13CH3] 34a_100000717746_200025704644 [1,0,0,0,0,0|1,0,1]=3 391 B11R1.189 CCNc1cccc(c1)O[13CH3] 7a_100000717746_200025704644 [1,0,0,0,0,0|1,0,1]=3 392 B11R1.189 CCNc1cccc(c1)SC 2230a_100000210049_100000210202 [1,0,0,0,0,0|1,1,1]=4 393 B11R1.189 CCNc1cccc(c1)SC 34a_100000210049_100000210202 [1,0,0,0,0,0|1,1,1]=4 394 B11R1.189 CCNc1cccc(c1)SC 62a_200000210301_100000738899 [1,0,0,0,0,0|1,1,1]=4 395 B11R1.189 CCNc1cccc(c1)S[13CH3] 62a_200025704644_100000738899 [1,0,0,0,0,0|1,1,1]=4 396 B11R1.189 CCOc1cccc(c1)CC 34a_100000211550_100000210202 [1,0,0,0,0,0|2,0,1]=4 397 B11R1.189 CCOc1cccc(c1)CC 7a_100000211550_100000210202 [1,0,0,0,0,0|2,0,1]=4 398 B11R1.189 CCOc1cccc(c1)NC 2230a_100000742568_200000210301 [1,0,0,0,0,0|2,0,1]=4 399 B11R1.189 CCOc1cccc(c1)NC 34a_100000742568_200000210301 [1,0,0,0,0,0|2,0,1]=4 400 B11R1.189 CCOc1cccc(c1)NC 34a_100000756613_100000210202 [1,0,0,0,0,0|2,0,1]=4 401 B11R1.189 CCOc1cccc(c1)NC 7a_100000756613_100000210202 [1,0,0,0,0,0|2,0,1]=4 402 B11R1.189 CCOc1cccc(c1)N[13CH3] 2230a_100000742568_200025704644 [1,0,0,0,0,0|2,0,1]=4 403 B11R1.189 CCOc1cccc(c1)N[13CH3] 34a_100000742568_200025704644 [1,0,0,0,0,0|2,0,1]=4 404 B11R1.189 CCOc1cccc(c1)OC 34a_100000211255_100000210202 [1,0,0,0,0,0|1,0,1]=3 405 B11R1.189 CCOc1cccc(c1)OC 34a_100011215941_200000210301 [1,0,0,0,0,0|1,0,1]=3 406 B11R1.189 CCOc1cccc(c1)OC 7a_100000211255_100000210202 [1,0,0,0,0,0|1,0,1]=3 407 B11R1.189 CCOc1cccc(c1)OC 7a_100011215941_200000210301 [1,0,0,0,0,0|1,0,1]=3 408 B11R1.189 CCOc1cccc(c1)O[13CH3] 34a_100011215941_200025704644 [1,0,0,0,0,0|1,0,1]=3 409 B11R1.189 CCOc1cccc(c1)O[13CH3] 7a_100011215941_200025704644 [1,0,0,0,0,0|1,0,1]=3 410 B11R1.189 CCOc1cccc(c1)SC 34a_100011265683_100000210202 [1,0,0,0,0,0|1,1,1]=4 411 B11R1.189 CCOc1cccc(c1)SC 62a_200000210301_100000170002 [1,0,0,0,0,0|1,1,1]=4 412 B11R1.189 CCOc1cccc(c1)SC 7a_100011265683_100000210202 [1,0,0,0,0,0|1,1,1]=4 413 B11R1.189 CCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170002 [1,0,0,0,0,0|1,1,1]=4 414 B11R1.189 CCOc1ccnc(c1)OC 34a_100012181050_100000210202 [1,0,0,0,0,0|2,0,1]=4 415 B11R1.189 CCOc1cncc(c1)OC 34a_100000084572_100000210202 [1,0,0,0,0,0|2,0,1]=4 416 B11R1.189 CCOc1cncc(c1)OC 7a_100000084572_100000210202 [1,0,0,0,0,0|2,0,1]=4 417 B11R1.189 CCSc1cc(ccn1)OC 62a_100000210202_100011216251 [1,0,0,0,0,0|2,0,1]=4 418 B11R1.189 CCSc1cc(ccn1)OC 62a_100009817693_100000210202 [1,0,0,0,0,0|2,0,1]=4 419 B11R1.189 CCSc1cccc(c1)CC 62a_100000210202_100011263222 [1,0,0,0,0,0|2,0,1]=4 420 B11R1.189 CCSc1cccc(c1)CC 62a_100011263222_100000210202 [1,0,0,0,0,0|2,0,1]=4 421 B11R1.189 CCSc1cccc(c1)NC 62a_100000210202_100000219648 [1,0,0,0,0,0|2,0,1]=4 422 B11R1.189 CCSc1cccc(c1)NC 62a_100000219648_100000210202 [1,0,0,0,0,0|2,0,1]=4 423 B11R1.189 CCSc1cccc(c1)OC 62a_100000210202_100000170001 [1,0,0,0,0,0|1,0,1]=3 424 B11R1.189 CCSc1cccc(c1)SC 62a_100000210202_100011215954 [1,0,0,0,0,0|1,1,1]=4 425 B11R1.189 CCSc1cccc(c1)SC 62a_100000703699_200000210301 [1,0,0,0,0,0|1,1,1]=4 426 B11R1.189 CCSc1cccc(c1)SC 62a_100011215954_100000210202 [1,0,0,0,0,0|1,1,1]=4 427 B11R1.189 CCSc1cccc(c1)SC 62a_200000210301_100000703699 [1,0,0,0,0,0|1,1,1]=4 428 B11R1.189 CCSc1cccc(c1)S[13CH3] 62a_100000703699_200025704644 [1,0,0,0,0,0|1,1,1]=4 429 B11R1.189 CCSc1cccc(c1)S[13CH3] 62a_200025704644_100000703699 [1,0,0,0,0,0|1,1,1]=4 430 B11R1.189 CCSc1cccc(n1)OC 62a_100000210202_100000760917 [1,0,0,0,0,0|2,0,1]=4 431 B11R1.189 CCSc1cccc(n1)OC 62a_100000760917_100000210202 [1,0,0,0,0,0|2,0,1]=4 432 B11R1.189 CCSc1ccnc(c1)OC 62a_100000117307_100000210202 [1,0,0,0,0,0|2,0,1]=4 433 B11R1.189 CCSc1ccnc(c1)OC 62a_100000210202_100000117307 [1,0,0,0,0,0|2,0,1]=4 434 B11R1.189 CCSc1cncc(c1)OC 62a_100000050176_100000210202 [1,0,0,0,0,0|2,0,1]=4 435 B11R1.189 CCSc1cncc(c1)OC 62a_100000210202_100000050176 [1,0,0,0,0,0|2,0,1]=4 436 B11R1.189 CCc1cccc(c1)CNC 207a_100102657272_100011999841 [1,0,0,0,0,0|2,0,1]=4 437 B11R1.189 CCc1cccc(c1)CNC 26a_100102657272_100000211550 [1,0,0,0,0,0|2,0,1]=4 438 B11R1.189 CCc1cccc(c1)CNC 270004a_106832991635_100011999841 [1,0,0,0,0,0|2,0,1]=4 439 B11R1.189 CNCc1cc(ccn1)OC 207a_100102657272_100000087537 [1,0,0,0,0,0|2,0,1]=4 440 B11R1.189 CNCc1cc(ccn1)OC 2230a_106832991635_100000752681 [1,0,0,0,0,0|2,0,1]=4 441 B11R1.189 CNCc1cc(ccn1)OC 270004a_106832991635_100000087537 [1,0,0,0,0,0|2,0,1]=4 442 B11R1.189 CNCc1cc(ccn1)OC 34a_100102657272_100000752681 [1,0,0,0,0,0|2,0,1]=4 443 B11R1.189 CNCc1cc(ccn1)OC 7a_106832991635_100000752681 [1,0,0,0,0,0|2,0,1]=4 444 B11R1.189 CNCc1cccc(c1)OC 207a_100102657272_100000170238 [1,0,0,0,0,0|1,0,1]=3 445 B11R1.189 CNCc1cccc(c1)OC 2230a_100000174954_200000210301 [1,0,0,0,0,0|1,0,1]=3 446 B11R1.189 CNCc1cccc(c1)OC 2230a_106832991635_100000211672 [1,0,0,0,0,0|1,0,1]=3 447 B11R1.189 CNCc1cccc(c1)OC 26a_100102657272_100000211255 [1,0,0,0,0,0|1,0,1]=3 448 B11R1.189 CNCc1cccc(c1)OC 270004a_106832991635_100000170238 [1,0,0,0,0,0|1,0,1]=3 449 B11R1.189 CNCc1cccc(c1)OC 34a_100000174954_200000210301 [1,0,0,0,0,0|1,0,1]=3 450 B11R1.189 CNCc1cccc(c1)OC 34a_100000207540_200000210301 [1,0,0,0,0,0|1,0,1]=3 451 B11R1.189 CNCc1cccc(c1)OC 34a_100102657272_100000688526 [1,0,0,0,0,0|1,0,1]=3 452 B11R1.189 CNCc1cccc(c1)OC 7a_106832991635_100000211672 [1,0,0,0,0,0|1,0,1]=3 453 B11R1.189 CNCc1cccc(c1)O[13CH3] 34a_100000207540_200025704644 [1,0,0,0,0,0|1,0,1]=3 454 B11R1.189 CNCc1cccc(c1)SC 207a_100102657272_100011935093 [1,0,0,0,0,0|1,1,1]=4 455 B11R1.189 CNCc1cccc(c1)SC 26a_100102657272_100011265683 [1,0,0,0,0,0|1,1,1]=4 456 B11R1.189 CNCc1cccc(c1)SC 270004a_106832991635_100011935093 [1,0,0,0,0,0|1,1,1]=4 457 B11R1.189 CNCc1cccc(c1)SC 62a_100000187585_200000210301 [1,0,0,0,0,0|1,1,1]=4 458 B11R1.189 CNCc1cccc(c1)SC 62a_200000210301_100000187585 [1,0,0,0,0,0|1,1,1]=4 459 B11R1.189 CNCc1cccc(c1)S[13CH3] 62a_100000187585_200025704644 [1,0,0,0,0,0|1,1,1]=4 460 B11R1.189 CNCc1cccc(c1)S[13CH3] 62a_200025704644_100000187585 [1,0,0,0,0,0|1,1,1]=4 461 B11R1.189 CNCc1cccc(n1)OC 207a_100102657272_100000694346 [1,0,0,0,0,0|2,0,1]=4 462 B11R1.189 CNCc1cccc(n1)OC 2230a_100000746380_200000210301 [1,0,0,0,0,0|2,0,1]=4 463 B11R1.189 CNCc1cccc(n1)OC 2230a_106832991635_100000755263 [1,0,0,0,0,0|2,0,1]=4 464 B11R1.189 CNCc1cccc(n1)OC 270004a_106832991635_100000694346 [1,0,0,0,0,0|2,0,1]=4 465 B11R1.189 CNCc1cccc(n1)OC 34a_100102657272_100000755263 [1,0,0,0,0,0|2,0,1]=4 466 B11R1.189 CNCc1cccc(n1)OC 7a_106832991635_100000755263 [1,0,0,0,0,0|2,0,1]=4 467 B11R1.189 CNCc1ccnc(c1)OC 207a_100102657272_100000050969 [1,0,0,0,0,0|2,0,1]=4 468 B11R1.189 CNCc1ccnc(c1)OC 2230a_106832991635_100103152439 [1,0,0,0,0,0|2,0,1]=4 469 B11R1.189 CNCc1ccnc(c1)OC 270004a_106832991635_100000050969 [1,0,0,0,0,0|2,0,1]=4 470 B11R1.189 CNCc1ccnc(c1)OC 34a_100102657272_100103152439 [1,0,0,0,0,0|2,0,1]=4 471 B11R1.189 CNCc1ccnc(c1)OC 7a_106832991635_100103152439 [1,0,0,0,0,0|2,0,1]=4 472 B11R1.189 CNCc1cncc(c1)OC 207a_100102657272_100011361638 [1,0,0,0,0,0|2,0,1]=4 473 B11R1.189 CNCc1cncc(c1)OC 2230a_100020589029_200000210301 [1,0,0,0,0,0|2,0,1]=4 474 B11R1.189 CNCc1cncc(c1)OC 270004a_106832991635_100011361638 [1,0,0,0,0,0|2,0,1]=4 475 B11R1.189 CNCc1cncc(c1)OC 34a_100020589029_200000210301 [1,0,0,0,0,0|2,0,1]=4 476 B11R1.189 CNc1cccc(c1)COC 2230a_100000737370_200000210301 [1,0,0,0,0,0|2,0,1]=4 477 B11R1.189 CNc1cccc(c1)COC 34a_100000737370_200000210301 [1,0,0,0,0,0|2,0,1]=4 478 B11R1.189 COCc1cc(ccn1)OC 34a_100000749536_200000210301 [1,0,0,0,0,0|2,0,1]=4 479 B11R1.189 COCc1cc(ccn1)OC 34a_100138415774_100000752681 [1,0,0,0,0,0|2,0,1]=4 480 B11R1.189 COCc1cccc(c1)N[13CH3] 2230a_100000737370_200025704644 [1,0,0,0,0,0|2,0,1]=4 481 B11R1.189 COCc1cccc(c1)N[13CH3] 34a_100000737370_200025704644 [1,0,0,0,0,0|2,0,1]=4 482 B11R1.189 COCc1cccc(c1)OC 34a_100000198976_200000210301 [1,0,0,0,0,0|1,0,1]=3 483 B11R1.189 COCc1cccc(c1)OC 34a_100138415774_100000688526 [1,0,0,0,0,0|1,0,1]=3 484 B11R1.189 COCc1cccc(c1)SC 62a_100011493687_200000210301 [1,0,0,0,0,0|1,1,1]=4 485 B11R1.189 COCc1cccc(c1)SC 62a_200000210301_100011493687 [1,0,0,0,0,0|1,1,1]=4 486 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_100011493687_200025704644 [1,0,0,0,0,0|1,1,1]=4 487 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_200025704644_100011493687 [1,0,0,0,0,0|1,1,1]=4 488 B11R1.189 COCc1cccc(n1)OC 34a_100138415774_100000755263 [1,0,0,0,0,0|2,0,1]=4 489 B11R1.189 COCc1ccnc(c1)OC 34a_100138415774_100103152439 [1,0,0,0,0,0|2,0,1]=4 490 B11R1.189 COCc1cncc(c1)OC 34a_100000732071_200000210301 [1,0,0,0,0,0|2,0,1]=4 491 B11R1.189 COc1cc(ccn1)CSC 62a_100103152439_200000210301 [1,0,0,0,0,0|2,0,1]=4 492 B11R1.189 COc1cc(ccn1)CSC 62a_200000210301_100103152439 [1,0,0,0,0,0|2,0,1]=4 493 B11R1.189 COc1cc(ccn1)CS[13CH3] 62a_100103152439_200025704644 [1,0,0,0,0,0|2,0,1]=4 494 B11R1.189 COc1cc(ccn1)CS[13CH3] 62a_200025704644_100103152439 [1,0,0,0,0,0|2,0,1]=4 495 B11R1.189 COc1cccc(c1)CC#N 7a_100000696680_200000210301 [1,0,0,0,0,0|1,0,2]=4 496 B11R1.189 COc1cccc(c1)CCN 34a_100000747277_200000210301 [1,0,0,0,0,0|1,0,2]=4 497 B11R1.189 COc1cccc(c1)CCO 34a_100011215281_200000210301 [1,0,0,0,0,0|1,0,2]=4 498 B11R1.189 COc1cccc(c1)CCO 7a_100011215281_200000210301 [1,0,0,0,0,0|1,0,2]=4 499 B11R1.189 COc1cccc(c1)CNN 34a_100000008902_200000210301 [1,0,0,0,0,0|2,0,1]=4 500 B11R1.189 COc1cccc(c1)CN[13CH3] 2230a_100000174954_200025704644 [1,0,0,0,0,0|1,0,1]=3 501 B11R1.189 COc1cccc(c1)CN[13CH3] 34a_100000174954_200025704644 [1,0,0,0,0,0|1,0,1]=3 502 B11R1.189 COc1cccc(c1)CO[13CH3] 34a_100000198976_200025704644 [1,0,0,0,0,0|1,0,1]=3 503 B11R1.189 COc1cccc(c1)CSC 62a_100000688526_200000210301 [1,0,0,0,0,0|1,0,1]=3 504 B11R1.189 COc1cccc(c1)CSC 62a_200000210301_100000211672 [1,0,0,0,0,0|1,0,1]=3 505 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_100000688526_200025704644 [1,0,0,0,0,0|1,0,1]=3 506 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_200025704644_100000211672 [1,0,0,0,0,0|1,0,1]=3 507 B11R1.189 COc1cccc(c1)NCF 34a_100000210024_100015361967 [1,0,0,0,0,0|2,0,1]=4 508 B11R1.189 COc1cccc(c1)OCF 34a_100000211255_100015361967 [1,0,0,0,0,0|2,0,1]=4 509 B11R1.189 COc1cccc(c1)OCF 7a_100000211255_100015361967 [1,0,0,0,0,0|2,0,1]=4 510 B11R1.189 COc1cccc(c1)SCF 62a_100015361967_100000170001 [1,0,0,0,0,0|2,0,1]=4 511 B11R1.189 COc1cccc(n1)CN[13CH3] 2230a_100000746380_200025704644 [1,0,0,0,0,0|2,0,1]=4 512 B11R1.189 COc1cccc(n1)CSC 62a_100000755263_200000210301 [1,0,0,0,0,0|2,0,1]=4 513 B11R1.189 COc1cccc(n1)CSC 62a_200000210301_100000755263 [1,0,0,0,0,0|2,0,1]=4 514 B11R1.189 COc1cccc(n1)CS[13CH3] 62a_100000755263_200025704644 [1,0,0,0,0,0|2,0,1]=4 515 B11R1.189 COc1cccc(n1)CS[13CH3] 62a_200025704644_100000755263 [1,0,0,0,0,0|2,0,1]=4 516 B11R1.189 COc1ccnc(c1)CO[13CH3] 34a_100000749536_200025704644 [1,0,0,0,0,0|2,0,1]=4 517 B11R1.189 COc1ccnc(c1)CSC 62a_100000752681_200000210301 [1,0,0,0,0,0|2,0,1]=4 518 B11R1.189 COc1ccnc(c1)CSC 62a_200000210301_100000752681 [1,0,0,0,0,0|2,0,1]=4 519 B11R1.189 COc1ccnc(c1)CS[13CH3] 62a_100000752681_200025704644 [1,0,0,0,0,0|2,0,1]=4 520 B11R1.189 COc1ccnc(c1)CS[13CH3] 62a_200025704644_100000752681 [1,0,0,0,0,0|2,0,1]=4 521 B11R1.189 COc1cncc(c1)CN[13CH3] 2230a_100020589029_200025704644 [1,0,0,0,0,0|2,0,1]=4 522 B11R1.189 COc1cncc(c1)CN[13CH3] 34a_100020589029_200025704644 [1,0,0,0,0,0|2,0,1]=4 523 B11R1.189 COc1cncc(c1)CO[13CH3] 34a_100000732071_200025704644 [1,0,0,0,0,0|2,0,1]=4 524 B11R1.189 CSc1cccc(c1)CC=O 62a_200000210301_200000698211 [1,0,0,0,0,0|1,1,1]=4 525 B11R1.189 CSc1cccc(c1)CC=O 62a_200000698211_200000210301 [1,0,0,0,0,0|1,1,1]=4 526 B11R1.189 [13CH3]Oc1cccc(c1)CC#N 7a_100000696680_200025704644 [1,0,0,0,0,0|1,0,2]=4 527 B11R1.189 [13CH3]Oc1cccc(c1)CCN 34a_100000747277_200025704644 [1,0,0,0,0,0|1,0,2]=4 528 B11R1.189 [13CH3]Oc1cccc(c1)CCO 34a_100011215281_200025704644 [1,0,0,0,0,0|1,0,2]=4 529 B11R1.189 [13CH3]Oc1cccc(c1)CCO 7a_100011215281_200025704644 [1,0,0,0,0,0|1,0,2]=4 530 B11R1.189 [13CH3]Oc1cccc(c1)CNN 34a_100000008902_200025704644 [1,0,0,0,0,0|2,0,1]=4 531 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200000698211_200025704644 [1,0,0,0,0,0|1,1,1]=4 532 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200025704644_200000698211 [1,0,0,0,0,0|1,1,1]=4 533 B11R1.192 C=C=Cc1cc(c(cn1)O)C 271570a_100015277604_100000692680 [1,0,0,0,0,0|1,0,2]=4 534 B11R1.192 C=C=Cc1ccc(c(c1)Br)O 271570a_100015277604_100012361655 [1,0,0,0,0,0|1,0,2]=4 535 B11R1.192 C=C=Cc1ccc(c(c1)C)Br 271570a_100015277604_100009813585 [1,0,0,0,0,0|1,0,2]=4 536 B11R1.192 C=C=Cc1ccc(c(c1)C)C 271570a_100015277604_100011215607 [1,0,0,0,0,0|1,0,2]=4 537 B11R1.192 C=C=Cc1ccc(c(c1)C)Cl 271570a_100015277604_100000049509 [1,0,0,0,0,0|1,0,2]=4 538 B11R1.192 C=C=Cc1ccc(c(c1)C)F 271570a_100015277604_100011218330 [1,0,0,0,0,0|1,0,2]=4 539 B11R1.192 C=C=Cc1ccc(c(c1)C)N 271570a_100015277604_100000211769 [1,0,0,0,0,0|1,0,2]=4 540 B11R1.192 C=C=Cc1ccc(c(c1)C)O 271570a_100015277604_100000186361 [1,0,0,0,0,0|0,0,2]=3 541 B11R1.192 C=C=Cc1ccc(c(c1)Cl)O 271570a_100015277604_100012360047 [1,0,0,0,0,0|1,0,2]=4 542 B11R1.192 C=C=Cc1ccc(c(c1)F)O 271570a_100015277604_100000185481 [1,0,0,0,0,0|1,0,2]=4 543 B11R1.192 C=C=Cc1ccc(c(c1)N)O 271570a_100015277604_100000752626 [1,0,0,0,0,0|1,0,2]=4 544 B11R1.192 C=C=Cc1ccc(c(c1)O)Br 271570a_100015277604_100012356990 [1,0,0,0,0,0|1,0,2]=4 545 B11R1.192 C=C=Cc1ccc(c(c1)O)C 271570a_100015277604_100000766334 [1,0,0,0,0,0|1,0,2]=4 546 B11R1.192 C=C=Cc1ccc(c(c1)O)Cl 271570a_100015277604_100011356854 [1,0,0,0,0,0|1,0,2]=4 547 B11R1.192 C=C=Cc1ccc(c(c1)O)F 271570a_100015277604_100000686035 [1,0,0,0,0,0|1,0,2]=4 548 B11R1.192 C=C=Cc1ccc(c(c1)O)N 271570a_100015277604_100000739049 [1,0,0,0,0,0|1,0,2]=4 549 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [1,0,0,0,0,0|0,0,2]=3 550 B11R1.192 C=C=Cc1ccc(c(n1)C)O 271570a_100015277604_100010233687 [1,0,0,0,0,0|1,0,2]=4 551 B11R1.192 C=C=Cc1cnc(c(c1)C)O 271570a_100015277604_100000685391 [1,0,0,0,0,0|1,0,2]=4 552 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)Br 271570a_100016259895_100010125443 [1,0,0,0,0,0|2,0,1]=4 553 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)F 271570a_100016259895_100000723523 [1,0,0,0,0,0|2,0,1]=4 554 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)O 271570a_100016259895_100009814561 [1,0,0,0,0,0|1,0,1]=3 555 B11R1.192 CC=Cc1c[nH]c(=O)c(n1)C 271570a_100016259895_100010363809 [1,0,0,0,0,0|2,0,1]=4 556 B11R1.192 CC=Cc1cc(c(=O)[nH]n1)C 271570a_100016259895_100012187101 [1,0,0,0,0,0|2,0,1]=4 557 B11R1.192 CC=Cc1cc(c(cn1)Br)C 271570a_100016259895_100012356354 [1,0,0,0,0,0|2,0,0]=3 558 B11R1.192 CC=Cc1cc(c(cn1)C)C 271570a_100016259895_100009850809 [1,0,0,0,0,0|2,0,0]=3 559 B11R1.192 CC=Cc1cc(c(cn1)C)F 271570a_100016259895_100009841206 [1,0,0,0,0,0|3,0,0]=4 560 B11R1.192 CC=Cc1cc(c(cn1)C)N 271570a_100016259895_100000690170 [1,0,0,0,0,0|3,0,0]=4 561 B11R1.192 CC=Cc1cc(c(cn1)C)O 271570a_100016259895_100000704368 [1,0,0,0,0,0|2,0,0]=3 562 B11R1.192 CC=Cc1cc(c(cn1)F)C 271570a_100016259895_100009818257 [1,0,0,0,0,0|2,0,0]=3 563 B11R1.192 CC=Cc1cc(c(cn1)F)N 271570a_100016259895_100000126464 [1,0,0,0,0,0|3,0,0]=4 564 B11R1.192 CC=Cc1cc(c(cn1)F)O 271570a_100016259895_100009854642 [1,0,0,0,0,0|2,0,0]=3 565 B11R1.192 CC=Cc1cc(c(cn1)N)C 271570a_100016259895_100000765520 [1,0,0,0,0,0|2,0,0]=3 566 B11R1.192 CC=Cc1cc(c(cn1)N)N 271570a_100016259895_100000067514 [1,0,0,0,0,0|3,0,0]=4 567 B11R1.192 CC=Cc1cc(c(cn1)O)C 271570a_100016259895_100000692680 [1,0,0,0,0,0|1,0,0]=2 568 B11R1.192 CC=Cc1cc(c(cn1)O)N 271570a_100016259895_100009819941 [1,0,0,0,0,0|2,0,0]=3 569 B11R1.192 CC=Cc1cc(c(nn1)N)C 271570a_100016259895_100153394926 [1,0,0,0,0,0|3,0,0]=4 570 B11R1.192 CC=Cc1ccc(=O)n(c1)C 271570a_100016259895_100011245003 [1,0,0,0,0,0|1,0,1]=3 571 B11R1.192 CC=Cc1ccc(=O)n(n1)C 271570a_100016259895_100009820752 [1,0,0,0,0,0|2,0,1]=4 572 B11R1.192 CC=Cc1ccc([n+](c1)[O-])C 271570a_100016259895_100000703231 [1,0,0,0,0,0|2,0,1]=4 573 B11R1.192 CC=Cc1ccc(c(=S)[nH]1)N 271570a_100016259895_100116329207 [1,0,0,0,0,0|2,1,0]=4 574 B11R1.192 CC=Cc1ccc(c(c1)Br)Br 271570a_100016259895_100012356285 [1,0,0,0,0,0|2,0,0]=3 575 B11R1.192 CC=Cc1ccc(c(c1)Br)C 271570a_100016259895_100011847877 [1,0,0,0,0,0|2,0,0]=3 576 B11R1.192 CC=Cc1ccc(c(c1)Br)Cl 271570a_100016259895_100012353702 [1,0,0,0,0,0|2,0,0]=3 577 B11R1.192 CC=Cc1ccc(c(c1)Br)F 271570a_100016259895_100012047266 [1,0,0,0,0,0|2,0,0]=3 578 B11R1.192 CC=Cc1ccc(c(c1)Br)N 271570a_100016259895_100000750455 [1,0,0,0,0,0|2,0,0]=3 579 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [1,0,0,0,0,0|1,0,0]=2 580 B11R1.192 CC=Cc1ccc(c(c1)C)Br 271570a_100016259895_100009813585 [1,0,0,0,0,0|1,0,0]=2 581 B11R1.192 CC=Cc1ccc(c(c1)C)C 271570a_100016259895_100011215607 [1,0,0,0,0,0|1,0,0]=2 582 B11R1.192 CC=Cc1ccc(c(c1)C)Cl 271570a_100016259895_100000049509 [1,0,0,0,0,0|1,0,0]=2 583 B11R1.192 CC=Cc1ccc(c(c1)C)F 271570a_100016259895_100011218330 [1,0,0,0,0,0|1,0,0]=2 584 B11R1.192 CC=Cc1ccc(c(c1)C)N 271570a_100016259895_100000211769 [1,0,0,0,0,0|1,0,0]=2 585 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [1,0,0,0,0,0|0,0,0]=1 586 B11R1.192 CC=Cc1ccc(c(c1)Cl)Br 271570a_100016259895_100012047281 [1,0,0,0,0,0|2,0,0]=3 587 B11R1.192 CC=Cc1ccc(c(c1)Cl)C 271570a_100016259895_100011216363 [1,0,0,0,0,0|2,0,0]=3 588 B11R1.192 CC=Cc1ccc(c(c1)Cl)Cl 271570a_100016259895_100011214914 [1,0,0,0,0,0|2,0,0]=3 589 B11R1.192 CC=Cc1ccc(c(c1)Cl)F 271570a_100016259895_100011215976 [1,0,0,0,0,0|2,0,0]=3 590 B11R1.192 CC=Cc1ccc(c(c1)Cl)N 271570a_100016259895_100011218065 [1,0,0,0,0,0|2,0,0]=3 591 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [1,0,0,0,0,0|1,0,0]=2 592 B11R1.192 CC=Cc1ccc(c(c1)F)Br 271570a_100016259895_100000685389 [1,0,0,0,0,0|2,0,0]=3 593 B11R1.192 CC=Cc1ccc(c(c1)F)C 271570a_100016259895_100000720648 [1,0,0,0,0,0|2,0,0]=3 594 B11R1.192 CC=Cc1ccc(c(c1)F)Cl 271570a_100016259895_100011216805 [1,0,0,0,0,0|2,0,0]=3 595 B11R1.192 CC=Cc1ccc(c(c1)F)F 271570a_100016259895_100000750028 [1,0,0,0,0,0|2,0,0]=3 596 B11R1.192 CC=Cc1ccc(c(c1)F)N 271570a_100016259895_100011215594 [1,0,0,0,0,0|2,0,0]=3 597 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [1,0,0,0,0,0|1,0,0]=2 598 B11R1.192 CC=Cc1ccc(c(c1)N)Br 271570a_100016259895_100000750456 [1,0,0,0,0,0|2,0,0]=3 599 B11R1.192 CC=Cc1ccc(c(c1)N)C 271570a_100016259895_100000761890 [1,0,0,0,0,0|2,0,0]=3 600 B11R1.192 CC=Cc1ccc(c(c1)N)Cl 271570a_100016259895_200000761891 [1,0,0,0,0,0|2,0,0]=3 601 B11R1.192 CC=Cc1ccc(c(c1)N)F 271570a_100016259895_100000740924 [1,0,0,0,0,0|2,0,0]=3 602 B11R1.192 CC=Cc1ccc(c(c1)N)N 271570a_100016259895_100000741789 [1,0,0,0,0,0|2,0,0]=3 603 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [1,0,0,0,0,0|1,0,0]=2 604 B11R1.192 CC=Cc1ccc(c(c1)O)Br 271570a_100016259895_100012356990 [1,0,0,0,0,0|1,0,0]=2 605 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [1,0,0,0,0,0|1,0,0]=2 606 B11R1.192 CC=Cc1ccc(c(c1)O)Cl 271570a_100016259895_100011356854 [1,0,0,0,0,0|1,0,0]=2 607 B11R1.192 CC=Cc1ccc(c(c1)O)F 271570a_100016259895_100000686035 [1,0,0,0,0,0|1,0,0]=2 608 B11R1.192 CC=Cc1ccc(c(c1)O)N 271570a_100016259895_100000739049 [1,0,0,0,0,0|1,0,0]=2 609 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [1,0,0,0,0,0|0,0,0]=1 610 B11R1.192 CC=Cc1ccc(c(n1)Br)O 271570a_100016259895_100000725334 [1,0,0,0,0,0|2,0,0]=3 611 B11R1.192 CC=Cc1ccc(c(n1)C)Br 271570a_100016259895_100012360386 [1,0,0,0,0,0|2,0,0]=3 612 B11R1.192 CC=Cc1ccc(c(n1)C)C 271570a_100016259895_100000103781 [1,0,0,0,0,0|2,0,0]=3 613 B11R1.192 CC=Cc1ccc(c(n1)C)F 271570a_100016259895_100009814307 [1,0,0,0,0,0|2,0,0]=3 614 B11R1.192 CC=Cc1ccc(c(n1)C)N 271570a_100016259895_100000760127 [1,0,0,0,0,0|2,0,0]=3 615 B11R1.192 CC=Cc1ccc(c(n1)C)O 271570a_100016259895_100010233687 [1,0,0,0,0,0|1,0,0]=2 616 B11R1.192 CC=Cc1ccc(c(n1)Cl)N 271570a_100016259895_200010233646 [1,0,0,0,0,0|3,0,0]=4 617 B11R1.192 CC=Cc1ccc(c(n1)Cl)O 271570a_100016259895_100000721234 [1,0,0,0,0,0|2,0,0]=3 618 B11R1.192 CC=Cc1ccc(c(n1)F)Br 271570a_100016259895_100010134343 [1,0,0,0,0,0|3,0,0]=4 619 B11R1.192 CC=Cc1ccc(c(n1)F)N 271570a_100016259895_100009856439 [1,0,0,0,0,0|3,0,0]=4 620 B11R1.192 CC=Cc1ccc(c(n1)F)O 271570a_100016259895_100009819667 [1,0,0,0,0,0|2,0,0]=3 621 B11R1.192 CC=Cc1ccc(c(n1)N)C 271570a_100016259895_100009857032 [1,0,0,0,0,0|3,0,0]=4 622 B11R1.192 CC=Cc1ccc(c(n1)N)F 271570a_100016259895_100016091773 [1,0,0,0,0,0|3,0,0]=4 623 B11R1.192 CC=Cc1ccc(c(n1)N)N 271570a_100016259895_100000747239 [1,0,0,0,0,0|3,0,0]=4 624 B11R1.192 CC=Cc1ccc(c(n1)N)O 271570a_100016259895_100000685527 [1,0,0,0,0,0|2,0,0]=3 625 B11R1.192 CC=Cc1ccc(c(n1)O)F 271570a_100016259895_100010729010 [1,0,0,0,0,0|2,0,0]=3 626 B11R1.192 CC=Cc1ccc(c(n1)O)N 271570a_100016259895_100000718904 [1,0,0,0,0,0|2,0,0]=3 627 B11R1.192 CC=Cc1ccn(c(=O)c1)C 271570a_100016259895_100009820031 [1,0,0,0,0,0|2,0,1]=4 628 B11R1.192 CC=Cc1cn(c(=O)cn1)C 271570a_100016259895_100009843036 [1,0,0,0,0,0|2,0,1]=4 629 B11R1.192 CC=Cc1cnc(=O)n(c1)C 271570a_100016259895_100009819886 [1,0,0,0,0,0|2,0,1]=4 630 B11R1.192 CC=Cc1cnc(c(c1)Br)Cl 271570a_100016259895_100010172733 [1,0,0,0,0,0|3,0,0]=4 631 B11R1.192 CC=Cc1cnc(c(c1)Br)N 271570a_100016259895_100012353989 [1,0,0,0,0,0|3,0,0]=4 632 B11R1.192 CC=Cc1cnc(c(c1)C)Br 271570a_100016259895_100009816107 [1,0,0,0,0,0|2,0,0]=3 633 B11R1.192 CC=Cc1cnc(c(c1)C)C 271570a_100016259895_100000697892 [1,0,0,0,0,0|2,0,0]=3 634 B11R1.192 CC=Cc1cnc(c(c1)C)Cl 271570a_100016259895_100009922867 [1,0,0,0,0,0|2,0,0]=3 635 B11R1.192 CC=Cc1cnc(c(c1)C)F 271570a_100016259895_100000709442 [1,0,0,0,0,0|2,0,0]=3 636 B11R1.192 CC=Cc1cnc(c(c1)C)N 271570a_100016259895_100000186686 [1,0,0,0,0,0|2,0,0]=3 637 B11R1.192 CC=Cc1cnc(c(c1)C)O 271570a_100016259895_100000685391 [1,0,0,0,0,0|1,0,0]=2 638 B11R1.192 CC=Cc1cnc(c(c1)Cl)N 271570a_100016259895_100012356299 [1,0,0,0,0,0|3,0,0]=4 639 B11R1.192 CC=Cc1cnc(c(c1)Cl)O 271570a_100016259895_100010238531 [1,0,0,0,0,0|2,0,0]=3 640 B11R1.192 CC=Cc1cnc(c(c1)F)C 271570a_100016259895_100009845756 [1,0,0,0,0,0|3,0,0]=4 641 B11R1.192 CC=Cc1cnc(c(c1)F)F 271570a_100016259895_100009817721 [1,0,0,0,0,0|3,0,0]=4 642 B11R1.192 CC=Cc1cnc(c(c1)F)N 271570a_100016259895_100000693161 [1,0,0,0,0,0|3,0,0]=4 643 B11R1.192 CC=Cc1cnc(c(c1)N)C 271570a_100016259895_100011999542 [1,0,0,0,0,0|3,0,0]=4 644 B11R1.192 CC=Cc1cnc(c(c1)N)Cl 271570a_100016259895_100009828400 [1,0,0,0,0,0|3,0,0]=4 645 B11R1.192 CC=Cc1cnc(c(c1)N)F 271570a_100016259895_100009816798 [1,0,0,0,0,0|3,0,0]=4 646 B11R1.192 CC=Cc1cnc(c(c1)N)N 271570a_100016259895_100000184470 [1,0,0,0,0,0|3,0,0]=4 647 B11R1.192 CC=Cc1cnc(c(c1)N)O 271570a_100016259895_100000743729 [1,0,0,0,0,0|2,0,0]=3 648 B11R1.192 CC=Cc1cnc(c(c1)O)C 271570a_100016259895_100009864810 [1,0,0,0,0,0|2,0,0]=3 649 B11R1.192 CC=Cc1cnc(c(c1)O)F 271570a_100016259895_100009819871 [1,0,0,0,0,0|2,0,0]=3 650 B11R1.192 CC=Cc1cnc(c(c1)O)N 271570a_100016259895_100009819042 [1,0,0,0,0,0|2,0,0]=3 651 B11R1.192 CC=Cc1cnc(c(n1)C)C 271570a_100016259895_100009878948 [1,0,0,0,0,0|3,0,0]=4 652 B11R1.192 CC=Cc1cnc(c(n1)C)N 271570a_100016259895_100009818571 [1,0,0,0,0,0|3,0,0]=4 653 B11R1.192 CC=Cc1ncc(c(n1)C)Cl 271570a_100016259895_100010174973 [1,0,0,0,0,0|3,0,0]=4 654 B11R1.192 CC=Cc1ncc(c(n1)C)F 271570a_100016259895_100015641512 [1,0,0,0,0,0|3,0,0]=4 655 B11R1.192 CC=Cc1ncc(c(n1)C)N 271570a_100016259895_100000123670 [1,0,0,0,0,0|3,0,0]=4 656 B11R1.192 CC=Cc1ncc(c(n1)O)F 271570a_100016259895_100011995740 [1,0,0,0,0,0|3,0,0]=4 657 B11R1.192 CCCc1ccc(c(c1)F)O 271570a_203496583355_200010686677 [1,0,0,0,0,0|1,0,2]=4 658 B11R1.192 CCNc1ccc(c(c1)Br)O 34a_100011534360_100000210202 [1,0,0,0,0,0|2,0,1]=4 659 B11R1.192 CCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210202 [1,0,0,0,0,0|2,0,1]=4 660 B11R1.192 CCNc1ccc(c(c1)C)Br 34a_100000210723_100000210202 [1,0,0,0,0,0|2,0,1]=4 661 B11R1.192 CCNc1ccc(c(c1)C)Br 7a_100000210723_100000210202 [1,0,0,0,0,0|2,0,1]=4 662 B11R1.192 CCNc1ccc(c(c1)C)C 2230a_100000724040_100000210202 [1,0,0,0,0,0|2,0,1]=4 663 B11R1.192 CCNc1ccc(c(c1)C)C 34a_100000724040_100000210202 [1,0,0,0,0,0|2,0,1]=4 664 B11R1.192 CCNc1ccc(c(c1)C)C 7a_100000724040_100000210202 [1,0,0,0,0,0|2,0,1]=4 665 B11R1.192 CCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210202 [1,0,0,0,0,0|2,0,1]=4 666 B11R1.192 CCNc1ccc(c(c1)C)Cl 34a_100000187808_100000210202 [1,0,0,0,0,0|2,0,1]=4 667 B11R1.192 CCNc1ccc(c(c1)C)Cl 7a_100000187808_100000210202 [1,0,0,0,0,0|2,0,1]=4 668 B11R1.192 CCNc1ccc(c(c1)C)F 2230a_100000750164_100000210202 [1,0,0,0,0,0|2,0,1]=4 669 B11R1.192 CCNc1ccc(c(c1)C)F 34a_100000750164_100000210202 [1,0,0,0,0,0|2,0,1]=4 670 B11R1.192 CCNc1ccc(c(c1)C)F 7a_100000750164_100000210202 [1,0,0,0,0,0|2,0,1]=4 671 B11R1.192 CCNc1ccc(c(c1)C)I 34a_100000198070_100000210202 [1,0,0,0,0,0|2,0,1]=4 672 B11R1.192 CCNc1ccc(c(c1)C)I 7a_100000198070_100000210202 [1,0,0,0,0,0|2,0,1]=4 673 B11R1.192 CCNc1ccc(c(c1)C)O 271570a_203496583355_100015183089 [1,0,0,0,0,0|1,0,1]=3 674 B11R1.192 CCNc1ccc(c(c1)C)O 34a_100011218179_100000210202 [1,0,0,0,0,0|1,0,1]=3 675 B11R1.192 CCNc1ccc(c(c1)C)O 7a_100011218179_100000210202 [1,0,0,0,0,0|1,0,1]=3 676 B11R1.192 CCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210202 [1,0,0,0,0,0|2,0,1]=4 677 B11R1.192 CCNc1ccc(c(c1)F)O 34a_100011220035_100000210202 [1,0,0,0,0,0|2,0,1]=4 678 B11R1.192 CCNc1ccc(c(c1)F)O 7a_100011220035_100000210202 [1,0,0,0,0,0|2,0,1]=4 679 B11R1.192 CCNc1ccc(c(c1)O)C 34a_100000759471_100000210202 [1,0,0,0,0,0|2,0,1]=4 680 B11R1.192 CCNc1ccc(c(c1)O)C 7a_100000759471_100000210202 [1,0,0,0,0,0|2,0,1]=4 681 B11R1.192 CCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210202 [1,0,0,0,0,0|2,0,1]=4 682 B11R1.192 CCNc1ccc(c(c1)O)F 34a_100012017398_100000210202 [1,0,0,0,0,0|2,0,1]=4 683 B11R1.192 CCNc1ccc(c(c1)O)F 7a_100012017398_100000210202 [1,0,0,0,0,0|2,0,1]=4 684 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [1,0,0,0,0,0|1,0,1]=3 685 B11R1.192 CCOc1cc(c(cn1)O)C 271570a_203496583355_200012351029 [1,0,0,0,0,0|2,0,1]=4 686 B11R1.192 CCOc1ccc(c(c1)C)Br 34a_100000690111_100000210202 [1,0,0,0,0,0|2,0,1]=4 687 B11R1.192 CCOc1ccc(c(c1)C)Br 7a_100000690111_100000210202 [1,0,0,0,0,0|2,0,1]=4 688 B11R1.192 CCOc1ccc(c(c1)C)C 34a_100000210932_100000210202 [1,0,0,0,0,0|2,0,1]=4 689 B11R1.192 CCOc1ccc(c(c1)C)C 7a_100000210932_100000210202 [1,0,0,0,0,0|2,0,1]=4 690 B11R1.192 CCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210202 [1,0,0,0,0,0|2,0,1]=4 691 B11R1.192 CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210202 [1,0,0,0,0,0|2,0,1]=4 692 B11R1.192 CCOc1ccc(c(c1)C)F 34a_100000751312_100000210202 [1,0,0,0,0,0|2,0,1]=4 693 B11R1.192 CCOc1ccc(c(c1)C)F 7a_100000751312_100000210202 [1,0,0,0,0,0|2,0,1]=4 694 B11R1.192 CCOc1ccc(c(c1)C)I 34a_100000729255_100000210202 [1,0,0,0,0,0|2,0,1]=4 695 B11R1.192 CCOc1ccc(c(c1)C)I 7a_100000729255_100000210202 [1,0,0,0,0,0|2,0,1]=4 696 B11R1.192 CCOc1ccc(c(c1)C)N 34a_100000756630_100000210202 [1,0,0,0,0,0|2,0,1]=4 697 B11R1.192 CCOc1ccc(c(c1)C)N 7a_100000756630_100000210202 [1,0,0,0,0,0|2,0,1]=4 698 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [1,0,0,0,0,0|1,0,1]=3 699 B11R1.192 CCOc1ccc(c(c1)F)O 271570a_203496583355_100000692347 [1,0,0,0,0,0|2,0,1]=4 700 B11R1.192 CCOc1ccc(c(c1)O)C 271570a_203496583355_100011099959 [1,0,0,0,0,0|2,0,1]=4 701 B11R1.192 CCSc1cc(c(cn1)O)C 62a_100000210202_100000692680 [1,0,0,0,0,0|2,0,1]=4 702 B11R1.192 CCSc1ccc(c(c1)Br)O 62a_100000210202_100012361655 [1,0,0,0,0,0|2,0,1]=4 703 B11R1.192 CCSc1ccc(c(c1)Br)O 62a_100012361655_100000210202 [1,0,0,0,0,0|2,0,1]=4 704 B11R1.192 CCSc1ccc(c(c1)C)Br 62a_100000210202_100009813585 [1,0,0,0,0,0|2,0,1]=4 705 B11R1.192 CCSc1ccc(c(c1)C)Br 62a_100009813585_100000210202 [1,0,0,0,0,0|2,0,1]=4 706 B11R1.192 CCSc1ccc(c(c1)C)C 62a_100000210202_100011215607 [1,0,0,0,0,0|2,0,1]=4 707 B11R1.192 CCSc1ccc(c(c1)C)C 62a_100011215607_100000210202 [1,0,0,0,0,0|2,0,1]=4 708 B11R1.192 CCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210202 [1,0,0,0,0,0|2,0,1]=4 709 B11R1.192 CCSc1ccc(c(c1)C)Cl 62a_100000210202_100000049509 [1,0,0,0,0,0|2,0,1]=4 710 B11R1.192 CCSc1ccc(c(c1)C)F 62a_100000210202_100011218330 [1,0,0,0,0,0|2,0,1]=4 711 B11R1.192 CCSc1ccc(c(c1)C)F 62a_100011218330_100000210202 [1,0,0,0,0,0|2,0,1]=4 712 B11R1.192 CCSc1ccc(c(c1)C)N 62a_100000210202_100000211769 [1,0,0,0,0,0|2,0,1]=4 713 B11R1.192 CCSc1ccc(c(c1)C)N 62a_100000211769_100000210202 [1,0,0,0,0,0|2,0,1]=4 714 B11R1.192 CCSc1ccc(c(c1)C)O 62a_100000210202_100000186361 [1,0,0,0,0,0|1,0,1]=3 715 B11R1.192 CCSc1ccc(c(c1)Cl)O 62a_100000210202_100012360047 [1,0,0,0,0,0|2,0,1]=4 716 B11R1.192 CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210202 [1,0,0,0,0,0|2,0,1]=4 717 B11R1.192 CCSc1ccc(c(c1)F)O 62a_100000185481_100000210202 [1,0,0,0,0,0|2,0,1]=4 718 B11R1.192 CCSc1ccc(c(c1)F)O 62a_100000210202_100000185481 [1,0,0,0,0,0|2,0,1]=4 719 B11R1.192 CCSc1ccc(c(c1)N)O 62a_100000210202_100000752626 [1,0,0,0,0,0|2,0,1]=4 720 B11R1.192 CCSc1ccc(c(c1)N)O 62a_100000752626_100000210202 [1,0,0,0,0,0|2,0,1]=4 721 B11R1.192 CCSc1ccc(c(c1)O)Br 62a_100000210202_100012356990 [1,0,0,0,0,0|2,0,1]=4 722 B11R1.192 CCSc1ccc(c(c1)O)Br 62a_100012356990_100000210202 [1,0,0,0,0,0|2,0,1]=4 723 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000210202_100000685420 [1,0,0,0,0,0|2,0,1]=4 724 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000685420_100000210202 [1,0,0,0,0,0|2,0,1]=4 725 B11R1.192 CCSc1ccc(c(c1)O)Cl 62a_100000210202_100011356854 [1,0,0,0,0,0|2,0,1]=4 726 B11R1.192 CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210202 [1,0,0,0,0,0|2,0,1]=4 727 B11R1.192 CCSc1ccc(c(c1)O)F 62a_100000210202_100000686035 [1,0,0,0,0,0|2,0,1]=4 728 B11R1.192 CCSc1ccc(c(c1)O)F 62a_100000686035_100000210202 [1,0,0,0,0,0|2,0,1]=4 729 B11R1.192 CCSc1ccc(c(c1)O)N 62a_100000210202_100000739049 [1,0,0,0,0,0|2,0,1]=4 730 B11R1.192 CCSc1ccc(c(c1)O)N 62a_100000739049_100000210202 [1,0,0,0,0,0|2,0,1]=4 731 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [1,0,0,0,0,0|1,0,1]=3 732 B11R1.192 CCSc1ccc(c(n1)C)O 62a_100000210202_100010233687 [1,0,0,0,0,0|2,0,1]=4 733 B11R1.192 CCSc1ccc(c(n1)C)O 62a_100010233687_100000210202 [1,0,0,0,0,0|2,0,1]=4 734 B11R1.192 CCSc1cnc(c(c1)C)O 62a_100000210202_100000685391 [1,0,0,0,0,0|2,0,1]=4 735 B11R1.192 CCSc1cnc(c(c1)C)O 62a_100000685391_100000210202 [1,0,0,0,0,0|2,0,1]=4 736 B11R1.192 CNCc1ccc(c(c1)C)Br 207a_100102657272_100000765772 [1,0,0,0,0,0|2,0,1]=4 737 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_100015205234_200000210301 [1,0,0,0,0,0|2,0,1]=4 738 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_106832991635_100000727479 [1,0,0,0,0,0|2,0,1]=4 739 B11R1.192 CNCc1ccc(c(c1)C)Br 26a_100102657272_100000690111 [1,0,0,0,0,0|2,0,1]=4 740 B11R1.192 CNCc1ccc(c(c1)C)Br 270004a_106832991635_100000765772 [1,0,0,0,0,0|2,0,1]=4 741 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100015205234_200000210301 [1,0,0,0,0,0|2,0,1]=4 742 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100102657272_100000727479 [1,0,0,0,0,0|2,0,1]=4 743 B11R1.192 CNCc1ccc(c(c1)C)Br 7a_106832991635_100000727479 [1,0,0,0,0,0|2,0,1]=4 744 B11R1.192 CNCc1ccc(c(c1)C)C 207a_100102657272_100000229942 [1,0,0,0,0,0|2,0,1]=4 745 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_100025706692_200000210301 [1,0,0,0,0,0|2,0,1]=4 746 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_106832991635_100000742320 [1,0,0,0,0,0|2,0,1]=4 747 B11R1.192 CNCc1ccc(c(c1)C)C 270004a_106832991635_100000229942 [1,0,0,0,0,0|2,0,1]=4 748 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100025706692_200000210301 [1,0,0,0,0,0|2,0,1]=4 749 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100102657272_100000742320 [1,0,0,0,0,0|2,0,1]=4 750 B11R1.192 CNCc1ccc(c(c1)C)C 7a_106832991635_100000742320 [1,0,0,0,0,0|2,0,1]=4 751 B11R1.192 CNCc1ccc(c(c1)C)Cl 207a_100102657272_100000698814 [1,0,0,0,0,0|2,0,1]=4 752 B11R1.192 CNCc1ccc(c(c1)C)Cl 2230a_106832991635_100012184735 [1,0,0,0,0,0|2,0,1]=4 753 B11R1.192 CNCc1ccc(c(c1)C)Cl 26a_100102657272_100000211092 [1,0,0,0,0,0|2,0,1]=4 754 B11R1.192 CNCc1ccc(c(c1)C)Cl 270004a_106832991635_100000698814 [1,0,0,0,0,0|2,0,1]=4 755 B11R1.192 CNCc1ccc(c(c1)C)Cl 34a_100102657272_100012184735 [1,0,0,0,0,0|2,0,1]=4 756 B11R1.192 CNCc1ccc(c(c1)C)Cl 7a_106832991635_100012184735 [1,0,0,0,0,0|2,0,1]=4 757 B11R1.192 CNCc1ccc(c(c1)C)F 207a_100102657272_100000748208 [1,0,0,0,0,0|2,0,1]=4 758 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_100000239911_200000210301 [1,0,0,0,0,0|2,0,1]=4 759 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_106832991635_100011216667 [1,0,0,0,0,0|2,0,1]=4 760 B11R1.192 CNCc1ccc(c(c1)C)F 270004a_106832991635_100000748208 [1,0,0,0,0,0|2,0,1]=4 761 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100000239911_200000210301 [1,0,0,0,0,0|2,0,1]=4 762 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100102657272_100011216667 [1,0,0,0,0,0|2,0,1]=4 763 B11R1.192 CNCc1ccc(c(c1)C)F 7a_106832991635_100011216667 [1,0,0,0,0,0|2,0,1]=4 764 B11R1.192 CNCc1ccc(c(c1)F)O 34a_100000758358_200000210301 [1,0,0,0,0,0|2,0,1]=4 765 B11R1.192 CNCc1ccc(c(c1)O)Cl 34a_100020636435_200000210301 [1,0,0,0,0,0|2,0,1]=4 766 B11R1.192 CNCc1ccc(c(c1)O)F 34a_100160469508_200000210301 [1,0,0,0,0,0|2,0,1]=4 767 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [1,0,0,0,0,0|1,0,1]=3 768 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100000718852_200000210301 [1,0,0,0,0,0|2,0,1]=4 769 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100138415774_100000727479 [1,0,0,0,0,0|2,0,1]=4 770 B11R1.192 COCc1ccc(c(c1)C)Br 7a_100000718852_200000210301 [1,0,0,0,0,0|2,0,1]=4 771 B11R1.192 COCc1ccc(c(c1)C)C 34a_100011215342_200000210301 [1,0,0,0,0,0|2,0,1]=4 772 B11R1.192 COCc1ccc(c(c1)C)C 34a_100138415774_100000742320 [1,0,0,0,0,0|2,0,1]=4 773 B11R1.192 COCc1ccc(c(c1)C)C 7a_100011215342_200000210301 [1,0,0,0,0,0|2,0,1]=4 774 B11R1.192 COCc1ccc(c(c1)C)Cl 34a_100138415774_100012184735 [1,0,0,0,0,0|2,0,1]=4 775 B11R1.192 COCc1ccc(c(c1)C)F 34a_100011219793_200000210301 [1,0,0,0,0,0|2,0,1]=4 776 B11R1.192 COCc1ccc(c(c1)C)F 34a_100138415774_100011216667 [1,0,0,0,0,0|2,0,1]=4 777 B11R1.192 COCc1ccc(c(c1)C)F 7a_100011219793_200000210301 [1,0,0,0,0,0|2,0,1]=4 778 B11R1.192 COCc1ccc(c(c1)C)N 34a_200011997030_200000210301 [1,0,0,0,0,0|2,0,1]=4 779 B11R1.192 COCc1ccc(c(c1)F)O 271570a_203496583355_100010177442 [1,0,0,0,0,0|2,0,1]=4 780 B11R1.192 COCc1ccc(c(c1)N)O 271570a_203496583355_200013033220 [1,0,0,0,0,0|2,0,1]=4 781 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [1,0,0,0,0,0|2,0,1]=4 782 B11R1.192 COCc1ccc(c(c1)O)F 271570a_203496583355_200011493689 [1,0,0,0,0,0|2,0,1]=4 783 B11R1.192 CSCc1ccc(c(c1)C)Br 62a_100000727479_200000210301 [1,0,0,0,0,0|2,0,1]=4 784 B11R1.192 CSCc1ccc(c(c1)C)Br 62a_200000210301_100000727479 [1,0,0,0,0,0|2,0,1]=4 785 B11R1.192 CSCc1ccc(c(c1)C)C 62a_100000742320_200000210301 [1,0,0,0,0,0|2,0,1]=4 786 B11R1.192 CSCc1ccc(c(c1)C)C 62a_200000210301_100000742320 [1,0,0,0,0,0|2,0,1]=4 787 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_100012184735_200000210301 [1,0,0,0,0,0|2,0,1]=4 788 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_200000210301_100012184735 [1,0,0,0,0,0|2,0,1]=4 789 B11R1.192 CSCc1ccc(c(c1)C)F 62a_100011216667_200000210301 [1,0,0,0,0,0|2,0,1]=4 790 B11R1.192 CSCc1ccc(c(c1)C)F 62a_200000210301_100011216667 [1,0,0,0,0,0|2,0,1]=4 791 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 2230a_100015205234_200025704644 [1,0,0,0,0,0|2,0,1]=4 792 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 34a_100015205234_200025704644 [1,0,0,0,0,0|2,0,1]=4 793 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 34a_100000718852_200025704644 [1,0,0,0,0,0|2,0,1]=4 794 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 7a_100000718852_200025704644 [1,0,0,0,0,0|2,0,1]=4 795 B11R1.192 Cc1cc(ccc1Br)CS[13CH3] 62a_100000727479_200025704644 [1,0,0,0,0,0|2,0,1]=4 796 B11R1.192 Cc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100000727479 [1,0,0,0,0,0|2,0,1]=4 797 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_100012184735_200025704644 [1,0,0,0,0,0|2,0,1]=4 798 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_100012184735 [1,0,0,0,0,0|2,0,1]=4 799 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 2230a_100000239911_200025704644 [1,0,0,0,0,0|2,0,1]=4 800 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 34a_100000239911_200025704644 [1,0,0,0,0,0|2,0,1]=4 801 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 34a_100011219793_200025704644 [1,0,0,0,0,0|2,0,1]=4 802 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 7a_100011219793_200025704644 [1,0,0,0,0,0|2,0,1]=4 803 B11R1.192 Cc1cc(ccc1F)CS[13CH3] 62a_100011216667_200025704644 [1,0,0,0,0,0|2,0,1]=4 804 B11R1.192 Cc1cc(ccc1F)CS[13CH3] 62a_200025704644_100011216667 [1,0,0,0,0,0|2,0,1]=4 805 B11R1.192 Cc1cc(ccc1N)CO[13CH3] 34a_200011997030_200025704644 [1,0,0,0,0,0|2,0,1]=4 806 B11R1.192 Cc1cc(ccc1O)CC#N 271570a_203496583355_100000726167 [1,0,0,0,0,0|1,0,2]=4 807 B11R1.192 Cc1cc(ccc1O)NCF 34a_100011218179_100015361967 [1,0,0,0,0,0|2,0,1]=4 808 B11R1.192 Cc1cc(ccc1O)NCF 7a_100011218179_100015361967 [1,0,0,0,0,0|2,0,1]=4 809 B11R1.192 Cc1cc(ccc1O)SCF 62a_100015361967_100000186361 [1,0,0,0,0,0|2,0,1]=4 810 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 2230a_100025706692_200025704644 [1,0,0,0,0,0|2,0,1]=4 811 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 34a_100025706692_200025704644 [1,0,0,0,0,0|2,0,1]=4 812 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 34a_100011215342_200025704644 [1,0,0,0,0,0|2,0,1]=4 813 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 7a_100011215342_200025704644 [1,0,0,0,0,0|2,0,1]=4 814 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_100000742320_200025704644 [1,0,0,0,0,0|2,0,1]=4 815 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_200025704644_100000742320 [1,0,0,0,0,0|2,0,1]=4 816 B11R1.192 Oc1ccc(cc1O)NCF 34a_100102946323_100015361967 [1,0,0,0,0,0|2,0,1]=4 817 B11R1.192 Oc1ccc(cc1O)SCF 62a_100015361967_100009813601 [1,0,0,0,0,0|2,0,1]=4 818 B11R1.192 [13CH3]NCc1ccc(c(c1)F)O 34a_100000758358_200025704644 [1,0,0,0,0,0|2,0,1]=4 819 B11R1.192 [13CH3]NCc1ccc(c(c1)O)Cl 34a_100020636435_200025704644 [1,0,0,0,0,0|2,0,1]=4 820 B11R1.192 [13CH3]NCc1ccc(c(c1)O)F 34a_100160469508_200025704644 [1,0,0,0,0,0|2,0,1]=4 821 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [1,0,0,0,0,0|1,0,1]=3 822 B11R1.280 C=Cc1c[nH]c(=O)c(c1)OC 271570a_100011290941_100010125397 [1,0,0,0,0,0|1,0,1]=3 823 B11R1.280 C=Cc1cc(c(cn1)C)OC 271570a_100011290941_100010067687 [1,0,0,0,0,0|2,0,0]=3 824 B11R1.280 C=Cc1cc(c(cn1)F)OC 271570a_100011290941_200010136270 [1,0,0,0,0,0|2,0,0]=3 825 B11R1.280 C=Cc1cc(c(cn1)N)OC 271570a_100011290941_100009887741 [1,0,0,0,0,0|2,0,0]=3 826 B11R1.280 C=Cc1cc(c(nn1)N)OC 271570a_100011290941_100000688033 [1,0,0,0,0,0|3,0,0]=4 827 B11R1.280 C=Cc1cc(ccc1O)C=O 271570a_100011290941_100000184552 [1,0,0,0,0,0|2,0,1]=4 828 B11R1.280 C=Cc1cc(ccc1O)CC 271570a_100011290941_100012339963 [1,0,0,0,0,0|1,0,2]=4 829 B11R1.280 C=Cc1cc(ccc1O)OC 271570a_100011290941_100000685887 [1,0,0,0,0,0|2,0,1]=4 830 B11R1.280 C=Cc1ccc(=O)n(c1)CC 271570a_100011290941_100000231005 [1,0,0,0,0,0|2,0,1]=4 831 B11R1.280 C=Cc1ccc(c(c1)C#N)Br 271570a_100011290941_100012355174 [1,0,0,0,0,0|3,0,0]=4 832 B11R1.280 C=Cc1ccc(c(c1)C#N)C 271570a_100011290941_100000698047 [1,0,0,0,0,0|3,0,0]=4 833 B11R1.280 C=Cc1ccc(c(c1)C#N)Cl 271570a_100011290941_100011356831 [1,0,0,0,0,0|3,0,0]=4 834 B11R1.280 C=Cc1ccc(c(c1)C#N)F 271570a_100011290941_100000037165 [1,0,0,0,0,0|3,0,0]=4 835 B11R1.280 C=Cc1ccc(c(c1)C#N)N 271570a_100011290941_100000688460 [1,0,0,0,0,0|3,0,0]=4 836 B11R1.280 C=Cc1ccc(c(c1)C#N)O 271570a_100011290941_100000687585 [1,0,0,0,0,0|2,0,0]=3 837 B11R1.280 C=Cc1ccc(c(c1)C=O)Br 271570a_100011290941_100010185652 [1,0,0,0,0,0|3,0,0]=4 838 B11R1.280 C=Cc1ccc(c(c1)C=O)C 271570a_100011290941_100011361606 [1,0,0,0,0,0|3,0,0]=4 839 B11R1.280 C=Cc1ccc(c(c1)C=O)Cl 271570a_100011290941_100010254384 [1,0,0,0,0,0|3,0,0]=4 840 B11R1.280 C=Cc1ccc(c(c1)C=O)F 271570a_100011290941_100000211465 [1,0,0,0,0,0|3,0,0]=4 841 B11R1.280 C=Cc1ccc(c(c1)C=O)N 271570a_100011290941_100011935258 [1,0,0,0,0,0|3,0,0]=4 842 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [1,0,0,0,0,0|2,0,0]=3 843 B11R1.280 C=Cc1ccc(c(c1)CC)Br 271570a_100011290941_100010244631 [1,0,0,0,0,0|2,0,0]=3 844 B11R1.280 C=Cc1ccc(c(c1)CC)F 271570a_100011290941_100010244625 [1,0,0,0,0,0|2,0,0]=3 845 B11R1.280 C=Cc1ccc(c(c1)CC)N 271570a_100011290941_100000686106 [1,0,0,0,0,0|2,0,0]=3 846 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [1,0,0,0,0,0|1,0,0]=2 847 B11R1.280 C=Cc1ccc(c(c1)CN)F 271570a_100011290941_100009815772 [1,0,0,0,0,0|3,0,0]=4 848 B11R1.280 C=Cc1ccc(c(c1)CN)N 271570a_100011290941_100012349119 [1,0,0,0,0,0|3,0,0]=4 849 B11R1.280 C=Cc1ccc(c(c1)CN)O 271570a_100011290941_100000730032 [1,0,0,0,0,0|2,0,0]=3 850 B11R1.280 C=Cc1ccc(c(c1)CO)Br 271570a_100011290941_100012359683 [1,0,0,0,0,0|3,0,0]=4 851 B11R1.280 C=Cc1ccc(c(c1)CO)C 271570a_100011290941_100000700630 [1,0,0,0,0,0|3,0,0]=4 852 B11R1.280 C=Cc1ccc(c(c1)CO)Cl 271570a_100011290941_100010128486 [1,0,0,0,0,0|3,0,0]=4 853 B11R1.280 C=Cc1ccc(c(c1)CO)F 271570a_100011290941_100000049604 [1,0,0,0,0,0|3,0,0]=4 854 B11R1.280 C=Cc1ccc(c(c1)CO)N 271570a_100011290941_100012353972 [1,0,0,0,0,0|3,0,0]=4 855 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [1,0,0,0,0,0|2,0,0]=3 856 B11R1.280 C=Cc1ccc(c(c1)NC)C 271570a_100011290941_100020629602 [1,0,0,0,0,0|2,0,0]=3 857 B11R1.280 C=Cc1ccc(c(c1)NC)F 271570a_100011290941_100011314990 [1,0,0,0,0,0|2,0,0]=3 858 B11R1.280 C=Cc1ccc(c(c1)NC)N 271570a_100011290941_100000694363 [1,0,0,0,0,0|2,0,0]=3 859 B11R1.280 C=Cc1ccc(c(c1)NN)F 271570a_100011290941_100020610843 [1,0,0,0,0,0|3,0,0]=4 860 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [1,0,0,0,0,0|1,0,0]=2 861 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [1,0,0,0,0,0|1,0,0]=2 862 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [1,0,0,0,0,0|1,0,0]=2 863 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [1,0,0,0,0,0|1,0,0]=2 864 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [1,0,0,0,0,0|1,0,0]=2 865 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [1,0,0,0,0,0|0,0,0]=1 866 B11R1.280 C=Cc1ccc(c(c1)SC)F 271570a_100011290941_100010341305 [1,0,0,0,0,0|1,1,0]=3 867 B11R1.280 C=Cc1ccc(c(n1)CC)N 271570a_100011290941_100009871203 [1,0,0,0,0,0|3,0,0]=4 868 B11R1.280 C=Cc1ccc(c(n1)OC)N 271570a_100011290941_100000687816 [1,0,0,0,0,0|2,0,0]=3 869 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [1,0,0,0,0,0|1,0,0]=2 870 B11R1.280 C=Cc1cnc(c(c1)C#N)O 271570a_100011290941_100000697733 [1,0,0,0,0,0|3,0,0]=4 871 B11R1.280 C=Cc1cnc(c(c1)CO)O 271570a_100011290941_100010065268 [1,0,0,0,0,0|3,0,0]=4 872 B11R1.280 C=Cc1cnc(c(c1)NC)N 271570a_100011290941_100010506235 [1,0,0,0,0,0|3,0,0]=4 873 B11R1.280 C=Cc1cnc(c(c1)OC)C 271570a_100011290941_100010254219 [1,0,0,0,0,0|2,0,0]=3 874 B11R1.280 C=Cc1cnc(c(c1)OC)F 271570a_100011290941_100010214931 [1,0,0,0,0,0|2,0,0]=3 875 B11R1.280 C=Cc1cnc(c(c1)OC)N 271570a_100011290941_106354213024 [1,0,0,0,0,0|2,0,0]=3 876 B11R1.280 C=Cc1cnc(c(n1)OC)N 271570a_100011290941_100009816943 [1,0,0,0,0,0|3,0,0]=4 877 B11R1.280 C=Cc1cnc(c(n1)OC)O 271570a_100011290941_200010365344 [1,0,0,0,0,0|2,0,0]=3 878 B11R1.280 C=Cc1ncc(c(n1)OC)C 271570a_100011290941_100012500371 [1,0,0,0,0,0|3,0,0]=4 879 B11R1.280 C=Cc1ncc(c(n1)OC)F 271570a_100011290941_100012183945 [1,0,0,0,0,0|3,0,0]=4 880 B11R1.280 C=Cc1ncc(c(n1)OC)N 271570a_100011290941_100012122185 [1,0,0,0,0,0|3,0,0]=4 881 B11R1.280 CCc1cc(ccc1Br)NC 2230a_100010109747_200000210301 [1,0,0,0,0,0|3,0,0]=4 882 B11R1.280 CCc1cc(ccc1Br)NC 34a_100010109747_200000210301 [1,0,0,0,0,0|3,0,0]=4 883 B11R1.280 CCc1cc(ccc1Br)NC 7a_100010109747_200000210301 [1,0,0,0,0,0|3,0,0]=4 884 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 2230a_100010109747_200025704644 [1,0,0,0,0,0|3,0,0]=4 885 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 34a_100010109747_200025704644 [1,0,0,0,0,0|3,0,0]=4 886 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 7a_100010109747_200025704644 [1,0,0,0,0,0|3,0,0]=4 887 B11R1.280 CCc1cc(ccc1Br)SC 62a_100010244631_200000210301 [1,0,0,0,0,0|3,0,0]=4 888 B11R1.280 CCc1cc(ccc1Br)SC 62a_200000210301_100010244631 [1,0,0,0,0,0|3,0,0]=4 889 B11R1.280 CCc1cc(ccc1Br)S[13CH3] 62a_100010244631_200025704644 [1,0,0,0,0,0|3,0,0]=4 890 B11R1.280 CCc1cc(ccc1Br)S[13CH3] 62a_200025704644_100010244631 [1,0,0,0,0,0|3,0,0]=4 891 B11R1.280 CCc1cc(ccc1Cl)OC 34a_100000212063_200000210301 [1,0,0,0,0,0|3,0,0]=4 892 B11R1.280 CCc1cc(ccc1Cl)OC 7a_100000212063_200000210301 [1,0,0,0,0,0|3,0,0]=4 893 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 34a_100000212063_200025704644 [1,0,0,0,0,0|3,0,0]=4 894 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 7a_100000212063_200025704644 [1,0,0,0,0,0|3,0,0]=4 895 B11R1.280 CCc1cc(ccc1F)SC 62a_100010244625_200000210301 [1,0,0,0,0,0|3,0,0]=4 896 B11R1.280 CCc1cc(ccc1F)SC 62a_200000210301_100010244625 [1,0,0,0,0,0|3,0,0]=4 897 B11R1.280 CCc1cc(ccc1F)S[13CH3] 62a_100010244625_200025704644 [1,0,0,0,0,0|3,0,0]=4 898 B11R1.280 CCc1cc(ccc1F)S[13CH3] 62a_200025704644_100010244625 [1,0,0,0,0,0|3,0,0]=4 899 B11R1.280 CCc1cc(ccc1N)SC 62a_100000686106_200000210301 [1,0,0,0,0,0|3,0,0]=4 900 B11R1.280 CCc1cc(ccc1N)SC 62a_200000210301_100000686106 [1,0,0,0,0,0|3,0,0]=4 901 B11R1.280 CCc1cc(ccc1N)S[13CH3] 62a_100000686106_200025704644 [1,0,0,0,0,0|3,0,0]=4 902 B11R1.280 CCc1cc(ccc1N)S[13CH3] 62a_200025704644_100000686106 [1,0,0,0,0,0|3,0,0]=4 903 B11R1.280 CCc1cc(ccc1O)C#N 271570a_203496583355_100010115944 [1,0,0,0,0,0|2,0,1]=4 904 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [1,0,0,0,0,0|2,0,0]=3 905 B11R1.280 CCc1cc(ccc1O)SC 62a_200000210301_100012338938 [1,0,0,0,0,0|2,0,0]=3 906 B11R1.280 CCc1cc(ccc1O)S[13CH3] 62a_200025704644_100012338938 [1,0,0,0,0,0|2,0,0]=3 907 B11R1.280 CCc1ccc(c(c1)NC)C 2230a_200012022522_200000210301 [1,0,0,0,0,0|2,0,1]=4 908 B11R1.280 CCc1ccc(c(c1)NC)C 34a_200012022522_200000210301 [1,0,0,0,0,0|2,0,1]=4 909 B11R1.280 CCc1ccc(c(c1)NC)C 7a_200012022522_200000210301 [1,0,0,0,0,0|2,0,1]=4 910 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [1,0,0,0,0,0|1,0,1]=3 911 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 2230a_200012022522_200025704644 [1,0,0,0,0,0|2,0,1]=4 912 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 34a_200012022522_200025704644 [1,0,0,0,0,0|2,0,1]=4 913 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 7a_200012022522_200025704644 [1,0,0,0,0,0|2,0,1]=4 914 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [1,0,0,0,0,0|1,0,1]=3 915 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [1,0,0,0,0,0|1,0,1]=3 916 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [1,0,0,0,0,0|1,0,1]=3 917 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [1,0,0,0,0,0|0,0,1]=2 918 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [1,0,0,0,0,0|1,0,1]=3 919 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [1,0,0,0,0,0|1,0,1]=3 920 B11R1.280 CCc1ccc(c(c1)SC)F 62a_200000210301_200010244628 [1,0,0,0,0,0|1,1,1]=4 921 B11R1.280 CCc1ccc(c(c1)SC)F 62a_200010244628_200000210301 [1,0,0,0,0,0|1,1,1]=4 922 B11R1.280 CCc1ccc(c(c1)SC)N 62a_100012339725_200000210301 [1,0,0,0,0,0|1,1,1]=4 923 B11R1.280 CCc1ccc(c(c1)SC)N 62a_200000210301_100012339725 [1,0,0,0,0,0|1,1,1]=4 924 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [1,0,0,0,0,0|0,1,1]=3 925 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [1,0,0,0,0,0|0,1,1]=3 926 B11R1.280 CCc1ccc(c(c1)S[13CH3])F 62a_200010244628_200025704644 [1,0,0,0,0,0|1,1,1]=4 927 B11R1.280 CCc1ccc(c(c1)S[13CH3])F 62a_200025704644_200010244628 [1,0,0,0,0,0|1,1,1]=4 928 B11R1.280 CCc1ccc(c(c1)S[13CH3])N 62a_100012339725_200025704644 [1,0,0,0,0,0|1,1,1]=4 929 B11R1.280 CCc1ccc(c(c1)S[13CH3])N 62a_200025704644_100012339725 [1,0,0,0,0,0|1,1,1]=4 930 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [1,0,0,0,0,0|0,1,1]=3 931 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [1,0,0,0,0,0|0,1,1]=3 932 B11R1.280 CNc1cc(ccc1Br)OC 34a_100000748603_200000210301 [1,0,0,0,0,0|3,0,0]=4 933 B11R1.280 CNc1cc(ccc1C)OC 2230a_100000760359_200000210301 [1,0,0,0,0,0|3,0,0]=4 934 B11R1.280 CNc1cc(ccc1C)OC 34a_100000760359_200000210301 [1,0,0,0,0,0|3,0,0]=4 935 B11R1.280 CNc1cc(ccc1C)SC 62a_100020629602_200000210301 [1,0,0,0,0,0|3,0,0]=4 936 B11R1.280 CNc1cc(ccc1C)SC 62a_200000210301_100020629602 [1,0,0,0,0,0|3,0,0]=4 937 B11R1.280 CNc1cc(ccc1C)S[13CH3] 62a_100020629602_200025704644 [1,0,0,0,0,0|3,0,0]=4 938 B11R1.280 CNc1cc(ccc1C)S[13CH3] 62a_200025704644_100020629602 [1,0,0,0,0,0|3,0,0]=4 939 B11R1.280 CNc1cc(ccc1Cl)OC 34a_100000745576_200000210301 [1,0,0,0,0,0|3,0,0]=4 940 B11R1.280 CNc1cc(ccc1F)OC 34a_100000764331_200000210301 [1,0,0,0,0,0|3,0,0]=4 941 B11R1.280 CNc1cc(ccc1F)SC 62a_100011314990_200000210301 [1,0,0,0,0,0|3,0,0]=4 942 B11R1.280 CNc1cc(ccc1F)SC 62a_200000210301_100011314990 [1,0,0,0,0,0|3,0,0]=4 943 B11R1.280 CNc1cc(ccc1F)S[13CH3] 62a_100011314990_200025704644 [1,0,0,0,0,0|3,0,0]=4 944 B11R1.280 CNc1cc(ccc1F)S[13CH3] 62a_200025704644_100011314990 [1,0,0,0,0,0|3,0,0]=4 945 B11R1.280 CNc1cc(ccc1I)OC 34a_100000748021_200000210301 [1,0,0,0,0,0|3,0,0]=4 946 B11R1.280 CNc1cc(ccc1N)SC 62a_100000694363_200000210301 [1,0,0,0,0,0|3,0,0]=4 947 B11R1.280 CNc1cc(ccc1N)S[13CH3] 62a_100000694363_200025704644 [1,0,0,0,0,0|3,0,0]=4 948 B11R1.280 CNc1cc(ccc1O)C#N 34a_100000766272_200000210301 [1,0,0,0,0,0|2,0,1]=4 949 B11R1.280 CNc1cc(ccc1O)C#N 7a_100000766272_200000210301 [1,0,0,0,0,0|2,0,1]=4 950 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [1,0,0,0,0,0|2,0,1]=4 951 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [1,0,0,0,0,0|2,0,0]=3 952 B11R1.280 CNc1ccc(c(c1)C#N)O 34a_100011249283_200000210301 [1,0,0,0,0,0|3,0,0]=4 953 B11R1.280 CNc1ccc(c(c1)OC)Br 2230a_100000765947_200000210301 [1,0,0,0,0,0|2,0,0]=3 954 B11R1.280 CNc1ccc(c(c1)OC)Br 34a_100000765947_200000210301 [1,0,0,0,0,0|2,0,0]=3 955 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [1,0,0,0,0,0|2,0,0]=3 956 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [1,0,0,0,0,0|2,0,0]=3 957 B11R1.280 CNc1ccc(c(c1)OC)Cl 2230a_100000742311_200000210301 [1,0,0,0,0,0|2,0,0]=3 958 B11R1.280 CNc1ccc(c(c1)OC)Cl 34a_100000742311_200000210301 [1,0,0,0,0,0|2,0,0]=3 959 B11R1.280 CNc1ccc(c(c1)OC)F 2230a_100000701188_200000210301 [1,0,0,0,0,0|2,0,0]=3 960 B11R1.280 CNc1ccc(c(c1)OC)F 34a_100000701188_200000210301 [1,0,0,0,0,0|2,0,0]=3 961 B11R1.280 CNc1ccc(c(c1)OC)I 34a_100000746945_200000210301 [1,0,0,0,0,0|2,0,0]=3 962 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [1,0,0,0,0,0|1,0,0]=2 963 B11R1.280 CNc1ccc(c(c1)SC)C 62a_100000707694_200000210301 [1,0,0,0,0,0|2,1,0]=4 964 B11R1.280 CNc1ccc(c(c1)SC)C 62a_200000210301_100000707694 [1,0,0,0,0,0|2,1,0]=4 965 B11R1.280 CNc1ccc(c(c1)S[13CH3])C 62a_100000707694_200025704644 [1,0,0,0,0,0|2,1,0]=4 966 B11R1.280 CNc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000707694 [1,0,0,0,0,0|2,1,0]=4 967 B11R1.280 COc1cc(c(cn1)Br)OC 34a_100010738159_200000210301 [1,0,0,0,0,0|3,0,0]=4 968 B11R1.280 COc1cc(c(cn1)Br)O[13CH3] 34a_100010738159_200025704644 [1,0,0,0,0,0|3,0,0]=4 969 B11R1.280 COc1cc(c(cn1)O)OC 271570a_203496583355_100010191559 [1,0,0,0,0,0|2,0,0]=3 970 B11R1.280 COc1cc(c[nH]c1=O)SC 62a_200000210301_100010125397 [1,0,0,0,0,0|2,0,1]=4 971 B11R1.280 COc1cc(c[nH]c1=O)S[13CH3] 62a_200025704644_100010125397 [1,0,0,0,0,0|2,0,1]=4 972 B11R1.280 COc1cc(ccc1Br)C#N 34a_100009877741_200000210301 [1,0,0,0,0,0|2,0,1]=4 973 B11R1.280 COc1cc(ccc1Br)C#N 7a_100009877741_200000210301 [1,0,0,0,0,0|2,0,1]=4 974 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [1,0,0,0,0,0|2,0,1]=4 975 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [1,0,0,0,0,0|2,0,1]=4 976 B11R1.280 COc1cc(ccc1Br)N[13CH3] 2230a_100000765947_200025704644 [1,0,0,0,0,0|2,0,0]=3 977 B11R1.280 COc1cc(ccc1Br)N[13CH3] 34a_100000765947_200025704644 [1,0,0,0,0,0|2,0,0]=3 978 B11R1.280 COc1cc(ccc1Br)O[13CH3] 34a_100011827694_200025704644 [1,0,0,0,0,0|2,0,0]=3 979 B11R1.280 COc1cc(ccc1Br)O[13CH3] 7a_100011827694_200025704644 [1,0,0,0,0,0|2,0,0]=3 980 B11R1.280 COc1cc(ccc1Br)SC 62a_100012353699_200000210301 [1,0,0,0,0,0|2,0,0]=3 981 B11R1.280 COc1cc(ccc1Br)SC 62a_200000210301_100012353699 [1,0,0,0,0,0|2,0,0]=3 982 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_100012353699_200025704644 [1,0,0,0,0,0|2,0,0]=3 983 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_200025704644_100012353699 [1,0,0,0,0,0|2,0,0]=3 984 B11R1.280 COc1cc(ccc1C)C#N 34a_100000765541_200000210301 [1,0,0,0,0,0|2,0,1]=4 985 B11R1.280 COc1cc(ccc1C)C#N 7a_100000765541_200000210301 [1,0,0,0,0,0|2,0,1]=4 986 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [1,0,0,0,0,0|2,0,0]=3 987 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [1,0,0,0,0,0|2,0,0]=3 988 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [1,0,0,0,0,0|2,0,0]=3 989 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [1,0,0,0,0,0|2,0,0]=3 990 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [1,0,0,0,0,0|2,0,0]=3 991 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [1,0,0,0,0,0|2,0,0]=3 992 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [1,0,0,0,0,0|2,0,0]=3 993 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [1,0,0,0,0,0|2,0,0]=3 994 B11R1.280 COc1cc(ccc1Cl)C#N 34a_100012186312_200000210301 [1,0,0,0,0,0|2,0,1]=4 995 B11R1.280 COc1cc(ccc1Cl)C#N 7a_100012186312_200000210301 [1,0,0,0,0,0|2,0,1]=4 996 B11R1.280 COc1cc(ccc1Cl)CN 34a_100020636435_200000210301 [1,0,0,0,0,0|2,0,1]=4 997 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [1,0,0,0,0,0|2,0,1]=4 998 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [1,0,0,0,0,0|2,0,1]=4 999 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 2230a_100000742311_200025704644 [1,0,0,0,0,0|2,0,0]=3 1000 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 34a_100000742311_200025704644 [1,0,0,0,0,0|2,0,0]=3 1001 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 34a_100012186310_200025704644 [1,0,0,0,0,0|2,0,0]=3 1002 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 7a_100012186310_200025704644 [1,0,0,0,0,0|2,0,0]=3 1003 B11R1.280 COc1cc(ccc1Cl)SC 62a_100011356853_200000210301 [1,0,0,0,0,0|2,0,0]=3 1004 B11R1.280 COc1cc(ccc1Cl)SC 62a_200000210301_100011356853 [1,0,0,0,0,0|2,0,0]=3 1005 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_100011356853_200025704644 [1,0,0,0,0,0|2,0,0]=3 1006 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100011356853 [1,0,0,0,0,0|2,0,0]=3 1007 B11R1.280 COc1cc(ccc1F)C#N 34a_100000069402_200000210301 [1,0,0,0,0,0|2,0,1]=4 1008 B11R1.280 COc1cc(ccc1F)C#N 7a_100000069402_200000210301 [1,0,0,0,0,0|2,0,1]=4 1009 B11R1.280 COc1cc(ccc1F)CN 34a_100160469508_200000210301 [1,0,0,0,0,0|2,0,1]=4 1010 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [1,0,0,0,0,0|2,0,1]=4 1011 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [1,0,0,0,0,0|2,0,1]=4 1012 B11R1.280 COc1cc(ccc1F)N[13CH3] 2230a_100000701188_200025704644 [1,0,0,0,0,0|2,0,0]=3 1013 B11R1.280 COc1cc(ccc1F)N[13CH3] 34a_100000701188_200025704644 [1,0,0,0,0,0|2,0,0]=3 1014 B11R1.280 COc1cc(ccc1F)O[13CH3] 34a_100012001760_200025704644 [1,0,0,0,0,0|2,0,0]=3 1015 B11R1.280 COc1cc(ccc1F)O[13CH3] 7a_100012001760_200025704644 [1,0,0,0,0,0|2,0,0]=3 1016 B11R1.280 COc1cc(ccc1F)SC 62a_100011934186_200000210301 [1,0,0,0,0,0|2,0,0]=3 1017 B11R1.280 COc1cc(ccc1F)SC 62a_200000210301_100011934186 [1,0,0,0,0,0|2,0,0]=3 1018 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_100011934186_200025704644 [1,0,0,0,0,0|2,0,0]=3 1019 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_200025704644_100011934186 [1,0,0,0,0,0|2,0,0]=3 1020 B11R1.280 COc1cc(ccc1I)C#N 34a_100000724445_200000210301 [1,0,0,0,0,0|2,0,1]=4 1021 B11R1.280 COc1cc(ccc1I)C#N 7a_100000724445_200000210301 [1,0,0,0,0,0|2,0,1]=4 1022 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [1,0,0,0,0,0|2,0,1]=4 1023 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [1,0,0,0,0,0|2,0,1]=4 1024 B11R1.280 COc1cc(ccc1I)N[13CH3] 34a_100000746945_200025704644 [1,0,0,0,0,0|2,0,0]=3 1025 B11R1.280 COc1cc(ccc1N)C#N 34a_100011997735_200000210301 [1,0,0,0,0,0|2,0,1]=4 1026 B11R1.280 COc1cc(ccc1N)C#N 7a_100011997735_200000210301 [1,0,0,0,0,0|2,0,1]=4 1027 B11R1.280 COc1cc(ccc1N)O[13CH3] 34a_100015326901_200025704644 [1,0,0,0,0,0|2,0,0]=3 1028 B11R1.280 COc1cc(ccc1N)O[13CH3] 7a_100015326901_200025704644 [1,0,0,0,0,0|2,0,0]=3 1029 B11R1.280 COc1cc(ccc1N)SC 62a_100011279103_200000210301 [1,0,0,0,0,0|2,0,0]=3 1030 B11R1.280 COc1cc(ccc1N)SC 62a_200000210301_100015196925 [1,0,0,0,0,0|2,0,0]=3 1031 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_100011279103_200025704644 [1,0,0,0,0,0|2,0,0]=3 1032 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_200025704644_100015196925 [1,0,0,0,0,0|2,0,0]=3 1033 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [1,0,0,0,0,0|1,0,1]=3 1034 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [1,0,0,0,0,0|1,0,0]=2 1035 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [1,0,0,0,0,0|1,0,1]=3 1036 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [1,0,0,0,0,0|1,0,0]=2 1037 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [1,0,0,0,0,0|1,0,0]=2 1038 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [1,0,0,0,0,0|1,0,0]=2 1039 B11R1.280 COc1cc(cnc1C)SC 62a_100010254219_200000210301 [1,0,0,0,0,0|3,0,0]=4 1040 B11R1.280 COc1cc(cnc1C)SC 62a_200000210301_100010254219 [1,0,0,0,0,0|3,0,0]=4 1041 B11R1.280 COc1cc(cnc1C)S[13CH3] 62a_100010254219_200025704644 [1,0,0,0,0,0|3,0,0]=4 1042 B11R1.280 COc1cc(cnc1C)S[13CH3] 62a_200025704644_100010254219 [1,0,0,0,0,0|3,0,0]=4 1043 B11R1.280 COc1cc(cnc1F)SC 62a_100010214931_200000210301 [1,0,0,0,0,0|3,0,0]=4 1044 B11R1.280 COc1cc(cnc1F)SC 62a_200000210301_100010214931 [1,0,0,0,0,0|3,0,0]=4 1045 B11R1.280 COc1cc(cnc1F)S[13CH3] 62a_100010214931_200025704644 [1,0,0,0,0,0|3,0,0]=4 1046 B11R1.280 COc1cc(cnc1F)S[13CH3] 62a_200025704644_100010214931 [1,0,0,0,0,0|3,0,0]=4 1047 B11R1.280 COc1cc(cnc1N)SC 62a_106354213024_200000210301 [1,0,0,0,0,0|3,0,0]=4 1048 B11R1.280 COc1cc(cnc1N)SC 62a_200000210301_106354213024 [1,0,0,0,0,0|3,0,0]=4 1049 B11R1.280 COc1cc(cnc1N)S[13CH3] 62a_106354213024_200025704644 [1,0,0,0,0,0|3,0,0]=4 1050 B11R1.280 COc1cc(cnc1N)S[13CH3] 62a_200025704644_106354213024 [1,0,0,0,0,0|3,0,0]=4 1051 B11R1.280 COc1cc(cnc1O)C#N 271570a_203496583355_200009864118 [1,0,0,0,0,0|2,0,1]=4 1052 B11R1.280 COc1cc(ncc1C)SC 62a_100010067687_200000210301 [1,0,0,0,0,0|3,0,0]=4 1053 B11R1.280 COc1cc(ncc1C)SC 62a_200000210301_100010067687 [1,0,0,0,0,0|3,0,0]=4 1054 B11R1.280 COc1cc(ncc1C)S[13CH3] 62a_100010067687_200025704644 [1,0,0,0,0,0|3,0,0]=4 1055 B11R1.280 COc1cc(ncc1C)S[13CH3] 62a_200025704644_100010067687 [1,0,0,0,0,0|3,0,0]=4 1056 B11R1.280 COc1cc(ncc1F)SC 62a_200000210301_200010136270 [1,0,0,0,0,0|3,0,0]=4 1057 B11R1.280 COc1cc(ncc1F)SC 62a_200010136270_200000210301 [1,0,0,0,0,0|3,0,0]=4 1058 B11R1.280 COc1cc(ncc1F)S[13CH3] 62a_200010136270_200025704644 [1,0,0,0,0,0|3,0,0]=4 1059 B11R1.280 COc1cc(ncc1F)S[13CH3] 62a_200025704644_200010136270 [1,0,0,0,0,0|3,0,0]=4 1060 B11R1.280 COc1cc(ncc1N)SC 62a_100009887741_200000210301 [1,0,0,0,0,0|3,0,0]=4 1061 B11R1.280 COc1cc(ncc1N)SC 62a_200000210301_100009887741 [1,0,0,0,0,0|3,0,0]=4 1062 B11R1.280 COc1cc(ncc1N)S[13CH3] 62a_100009887741_200025704644 [1,0,0,0,0,0|3,0,0]=4 1063 B11R1.280 COc1cc(ncc1N)S[13CH3] 62a_200025704644_100009887741 [1,0,0,0,0,0|3,0,0]=4 1064 B11R1.280 COc1cc(ncc1O)C#N 271570a_203496583355_100010136804 [1,0,0,0,0,0|2,0,1]=4 1065 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [1,0,0,0,0,0|2,0,1]=4 1066 B11R1.280 COc1ccc(c(c1)C#N)O 271570a_203496583355_100000748272 [1,0,0,0,0,0|3,0,0]=4 1067 B11R1.280 COc1ccc(c(c1)C=O)O 271570a_203496583355_100000691568 [1,0,0,0,0,0|3,0,0]=4 1068 B11R1.280 COc1ccc(c(c1)CN)O 271570a_203496583355_100000741592 [1,0,0,0,0,0|3,0,0]=4 1069 B11R1.280 COc1ccc(c(c1)CO)O 271570a_203496583355_200011273942 [1,0,0,0,0,0|3,0,0]=4 1070 B11R1.280 COc1ccc(c(c1)N[13CH3])Br 34a_100000748603_200025704644 [1,0,0,0,0,0|3,0,0]=4 1071 B11R1.280 COc1ccc(c(c1)N[13CH3])C 2230a_100000760359_200025704644 [1,0,0,0,0,0|3,0,0]=4 1072 B11R1.280 COc1ccc(c(c1)N[13CH3])C 34a_100000760359_200025704644 [1,0,0,0,0,0|3,0,0]=4 1073 B11R1.280 COc1ccc(c(c1)N[13CH3])Cl 34a_100000745576_200025704644 [1,0,0,0,0,0|3,0,0]=4 1074 B11R1.280 COc1ccc(c(c1)N[13CH3])F 34a_100000764331_200025704644 [1,0,0,0,0,0|3,0,0]=4 1075 B11R1.280 COc1ccc(c(c1)N[13CH3])I 34a_100000748021_200025704644 [1,0,0,0,0,0|3,0,0]=4 1076 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [1,0,0,0,0,0|2,0,0]=3 1077 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100000719091_200000210301 [1,0,0,0,0,0|2,0,0]=3 1078 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100011827694_200000210301 [1,0,0,0,0,0|2,0,0]=3 1079 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100000719091_200000210301 [1,0,0,0,0,0|2,0,0]=3 1080 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100011827694_200000210301 [1,0,0,0,0,0|2,0,0]=3 1081 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [1,0,0,0,0,0|2,0,0]=3 1082 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [1,0,0,0,0,0|2,0,0]=3 1083 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [1,0,0,0,0,0|2,0,0]=3 1084 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [1,0,0,0,0,0|2,0,0]=3 1085 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100011516019_200000210301 [1,0,0,0,0,0|2,0,0]=3 1086 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100012186310_200000210301 [1,0,0,0,0,0|2,0,0]=3 1087 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100011516019_200000210301 [1,0,0,0,0,0|2,0,0]=3 1088 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100012186310_200000210301 [1,0,0,0,0,0|2,0,0]=3 1089 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012001760_200000210301 [1,0,0,0,0,0|2,0,0]=3 1090 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012178750_200000210301 [1,0,0,0,0,0|2,0,0]=3 1091 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012001760_200000210301 [1,0,0,0,0,0|2,0,0]=3 1092 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012178750_200000210301 [1,0,0,0,0,0|2,0,0]=3 1093 B11R1.280 COc1ccc(c(c1)OC)I 34a_100010168831_200000210301 [1,0,0,0,0,0|2,0,0]=3 1094 B11R1.280 COc1ccc(c(c1)OC)I 7a_100010168831_200000210301 [1,0,0,0,0,0|2,0,0]=3 1095 B11R1.280 COc1ccc(c(c1)OC)N 34a_100015326901_200000210301 [1,0,0,0,0,0|2,0,0]=3 1096 B11R1.280 COc1ccc(c(c1)OC)N 34a_100016989039_200000210301 [1,0,0,0,0,0|2,0,0]=3 1097 B11R1.280 COc1ccc(c(c1)OC)N 7a_100015326901_200000210301 [1,0,0,0,0,0|2,0,0]=3 1098 B11R1.280 COc1ccc(c(c1)OC)N 7a_100016989039_200000210301 [1,0,0,0,0,0|2,0,0]=3 1099 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [1,0,0,0,0,0|1,0,0]=2 1100 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 34a_100000719091_200025704644 [1,0,0,0,0,0|2,0,0]=3 1101 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 7a_100000719091_200025704644 [1,0,0,0,0,0|2,0,0]=3 1102 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [1,0,0,0,0,0|2,0,0]=3 1103 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [1,0,0,0,0,0|2,0,0]=3 1104 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 34a_100011516019_200025704644 [1,0,0,0,0,0|2,0,0]=3 1105 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 7a_100011516019_200025704644 [1,0,0,0,0,0|2,0,0]=3 1106 B11R1.280 COc1ccc(c(c1)O[13CH3])F 34a_100012178750_200025704644 [1,0,0,0,0,0|2,0,0]=3 1107 B11R1.280 COc1ccc(c(c1)O[13CH3])F 7a_100012178750_200025704644 [1,0,0,0,0,0|2,0,0]=3 1108 B11R1.280 COc1ccc(c(c1)O[13CH3])I 34a_100010168831_200025704644 [1,0,0,0,0,0|2,0,0]=3 1109 B11R1.280 COc1ccc(c(c1)O[13CH3])I 7a_100010168831_200025704644 [1,0,0,0,0,0|2,0,0]=3 1110 B11R1.280 COc1ccc(c(c1)O[13CH3])N 34a_100016989039_200025704644 [1,0,0,0,0,0|2,0,0]=3 1111 B11R1.280 COc1ccc(c(c1)O[13CH3])N 7a_100016989039_200025704644 [1,0,0,0,0,0|2,0,0]=3 1112 B11R1.280 COc1ccc(c(c1)SC)Br 62a_100009992028_200000210301 [1,0,0,0,0,0|2,1,0]=4 1113 B11R1.280 COc1ccc(c(c1)SC)Br 62a_200000210301_100009992028 [1,0,0,0,0,0|2,1,0]=4 1114 B11R1.280 COc1ccc(c(c1)SC)C 62a_100012349166_200000210301 [1,0,0,0,0,0|2,1,0]=4 1115 B11R1.280 COc1ccc(c(c1)SC)C 62a_200000210301_100012349166 [1,0,0,0,0,0|2,1,0]=4 1116 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_100011356938_200000210301 [1,0,0,0,0,0|2,1,0]=4 1117 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_200000210301_100011356938 [1,0,0,0,0,0|2,1,0]=4 1118 B11R1.280 COc1ccc(c(c1)SC)F 62a_100000699733_200000210301 [1,0,0,0,0,0|2,1,0]=4 1119 B11R1.280 COc1ccc(c(c1)SC)F 62a_200000210301_100000699733 [1,0,0,0,0,0|2,1,0]=4 1120 B11R1.280 COc1ccc(c(c1)SC)N 62a_100015195136_200000210301 [1,0,0,0,0,0|2,1,0]=4 1121 B11R1.280 COc1ccc(c(c1)SC)N 62a_200000210301_100015195136 [1,0,0,0,0,0|2,1,0]=4 1122 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [1,0,0,0,0,0|1,1,0]=3 1123 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_100009992028_200025704644 [1,0,0,0,0,0|2,1,0]=4 1124 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100009992028 [1,0,0,0,0,0|2,1,0]=4 1125 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_100012349166_200025704644 [1,0,0,0,0,0|2,1,0]=4 1126 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_200025704644_100012349166 [1,0,0,0,0,0|2,1,0]=4 1127 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_100011356938_200025704644 [1,0,0,0,0,0|2,1,0]=4 1128 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011356938 [1,0,0,0,0,0|2,1,0]=4 1129 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_100000699733_200025704644 [1,0,0,0,0,0|2,1,0]=4 1130 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000699733 [1,0,0,0,0,0|2,1,0]=4 1131 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_100015195136_200025704644 [1,0,0,0,0,0|2,1,0]=4 1132 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_200025704644_100015195136 [1,0,0,0,0,0|2,1,0]=4 1133 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [1,0,0,0,0,0|1,1,0]=3 1134 B11R1.280 COc1ccc(c(n1)OC)O 271570a_203496583355_100009816055 [1,0,0,0,0,0|2,0,0]=3 1135 B11R1.280 COc1nc(ccc1N)SC 62a_100000687816_200000210301 [1,0,0,0,0,0|3,0,0]=4 1136 B11R1.280 COc1nc(ccc1N)SC 62a_200000210301_100000687816 [1,0,0,0,0,0|3,0,0]=4 1137 B11R1.280 COc1nc(ccc1N)S[13CH3] 62a_100000687816_200025704644 [1,0,0,0,0,0|3,0,0]=4 1138 B11R1.280 COc1nc(ccc1N)S[13CH3] 62a_200025704644_100000687816 [1,0,0,0,0,0|3,0,0]=4 1139 B11R1.280 COc1nc(ccc1O)SC 62a_200000210301_100010893133 [1,0,0,0,0,0|2,0,0]=3 1140 B11R1.280 COc1nc(ccc1O)S[13CH3] 62a_200025704644_100010893133 [1,0,0,0,0,0|2,0,0]=3 1141 B11R1.280 COc1nc(cnc1O)SC 62a_200000210301_200010365344 [1,0,0,0,0,0|3,0,0]=4 1142 B11R1.280 COc1nc(cnc1O)SC 62a_200010365344_200000210301 [1,0,0,0,0,0|3,0,0]=4 1143 B11R1.280 COc1nc(cnc1O)S[13CH3] 62a_200010365344_200025704644 [1,0,0,0,0,0|3,0,0]=4 1144 B11R1.280 COc1nc(cnc1O)S[13CH3] 62a_200025704644_200010365344 [1,0,0,0,0,0|3,0,0]=4 1145 B11R1.280 COc1nc(ncc1O)SC 271570a_203496583355_200011934731 [1,0,0,0,0,0|3,0,0]=4 1146 B11R1.280 COc1ncc(c(n1)OC)O 271570a_203496583355_100011215025 [1,0,0,0,0,0|3,0,0]=4 1147 B11R1.280 CSc1cc(ccc1Br)C=O 62a_100010146563_200000210301 [1,0,0,0,0,0|2,1,0]=4 1148 B11R1.280 CSc1cc(ccc1Br)C=O 62a_200000210301_100010146563 [1,0,0,0,0,0|2,1,0]=4 1149 B11R1.280 CSc1cc(ccc1C)C=O 62a_100000695567_200000210301 [1,0,0,0,0,0|2,1,0]=4 1150 B11R1.280 CSc1cc(ccc1C)C=O 62a_200000210301_100000695567 [1,0,0,0,0,0|2,1,0]=4 1151 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_100010209939_200000210301 [1,0,0,0,0,0|2,1,0]=4 1152 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_200000210301_100010209939 [1,0,0,0,0,0|2,1,0]=4 1153 B11R1.280 CSc1cc(ccc1F)C=O 62a_100000211747_200000210301 [1,0,0,0,0,0|2,1,0]=4 1154 B11R1.280 CSc1cc(ccc1F)C=O 62a_200000210301_100000211747 [1,0,0,0,0,0|2,1,0]=4 1155 B11R1.280 CSc1cc(ccc1F)S[13CH3] 62a_100010341305_200025704644 [1,0,0,0,0,0|2,1,0]=4 1156 B11R1.280 CSc1cc(ccc1F)S[13CH3] 62a_200025704644_100010341305 [1,0,0,0,0,0|2,1,0]=4 1157 B11R1.280 CSc1cc(ccc1O)C#N 62a_200000210301_100000725478 [1,0,0,0,0,0|1,1,1]=4 1158 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [1,0,0,0,0,0|1,1,0]=3 1159 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [1,0,0,0,0,0|1,1,0]=3 1160 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [1,0,0,0,0,0|1,1,1]=4 1161 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [1,0,0,0,0,0|1,1,1]=4 1162 B11R1.280 CSc1cc(cnc1O)C=O 62a_100010064886_200000210301 [1,0,0,0,0,0|2,1,0]=4 1163 B11R1.280 CSc1cc(cnc1O)C=O 62a_200000210301_100010064886 [1,0,0,0,0,0|2,1,0]=4 1164 B11R1.280 CSc1ccc(c(c1)C#N)O 62a_200000210301_100000687585 [1,0,0,0,0,0|3,0,0]=4 1165 B11R1.280 CSc1ccc(c(c1)C=O)O 62a_200000210301_100000186750 [1,0,0,0,0,0|3,0,0]=4 1166 B11R1.280 CSc1ccc(c(c1)CN)O 62a_100000730032_200000210301 [1,0,0,0,0,0|3,0,0]=4 1167 B11R1.280 CSc1ccc(c(c1)CN)O 62a_200000210301_100000730032 [1,0,0,0,0,0|3,0,0]=4 1168 B11R1.280 CSc1ccc(c(c1)CO)O 62a_100000184703_200000210301 [1,0,0,0,0,0|3,0,0]=4 1169 B11R1.280 CSc1ccc(c(c1)CO)O 62a_200000210301_100000184703 [1,0,0,0,0,0|3,0,0]=4 1170 B11R1.280 CSc1ccc(c(c1)SC)F 62a_100010341305_200000210301 [1,0,0,0,0,0|2,1,0]=4 1171 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200000210301_100010341305 [1,0,0,0,0,0|2,1,0]=4 1172 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200000210301_200010708804 [1,0,0,0,0,0|2,1,0]=4 1173 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200010708804_200000210301 [1,0,0,0,0,0|2,1,0]=4 1174 B11R1.280 CSc1ccc(c(c1)S[13CH3])F 62a_200010708804_200025704644 [1,0,0,0,0,0|2,1,0]=4 1175 B11R1.280 CSc1ccc(c(c1)S[13CH3])F 62a_200025704644_200010708804 [1,0,0,0,0,0|2,1,0]=4 1176 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 34a_100000765541_200025704644 [1,0,0,0,0,0|2,0,1]=4 1177 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 7a_100000765541_200025704644 [1,0,0,0,0,0|2,0,1]=4 1178 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_100000695567_200025704644 [1,0,0,0,0,0|2,1,0]=4 1179 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000695567 [1,0,0,0,0,0|2,1,0]=4 1180 B11R1.280 N#Cc1cc(ccc1O)C=O 271570a_203496583355_100010128726 [1,0,0,0,0,0|3,0,0]=4 1181 B11R1.280 O=Cc1ccc(c(c1)CO)O 271570a_203496583355_100015639582 [1,0,0,0,0,0|3,0,0]=4 1182 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 34a_100000766272_200025704644 [1,0,0,0,0,0|2,0,1]=4 1183 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 7a_100000766272_200025704644 [1,0,0,0,0,0|2,0,1]=4 1184 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [1,0,0,0,0,0|2,0,1]=4 1185 B11R1.280 [13CH3]Nc1ccc(c(c1)C#N)O 34a_100011249283_200025704644 [1,0,0,0,0,0|3,0,0]=4 1186 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 34a_100009877741_200025704644 [1,0,0,0,0,0|2,0,1]=4 1187 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 7a_100009877741_200025704644 [1,0,0,0,0,0|2,0,1]=4 1188 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [1,0,0,0,0,0|2,0,1]=4 1189 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [1,0,0,0,0,0|2,0,1]=4 1190 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 34a_100012186312_200025704644 [1,0,0,0,0,0|2,0,1]=4 1191 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 7a_100012186312_200025704644 [1,0,0,0,0,0|2,0,1]=4 1192 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CN 34a_100020636435_200025704644 [1,0,0,0,0,0|2,0,1]=4 1193 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [1,0,0,0,0,0|2,0,1]=4 1194 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [1,0,0,0,0,0|2,0,1]=4 1195 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 34a_100000069402_200025704644 [1,0,0,0,0,0|2,0,1]=4 1196 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 7a_100000069402_200025704644 [1,0,0,0,0,0|2,0,1]=4 1197 B11R1.280 [13CH3]Oc1cc(ccc1F)CN 34a_100160469508_200025704644 [1,0,0,0,0,0|2,0,1]=4 1198 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [1,0,0,0,0,0|2,0,1]=4 1199 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [1,0,0,0,0,0|2,0,1]=4 1200 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 34a_100000724445_200025704644 [1,0,0,0,0,0|2,0,1]=4 1201 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 7a_100000724445_200025704644 [1,0,0,0,0,0|2,0,1]=4 1202 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [1,0,0,0,0,0|2,0,1]=4 1203 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [1,0,0,0,0,0|2,0,1]=4 1204 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 34a_100011997735_200025704644 [1,0,0,0,0,0|2,0,1]=4 1205 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 7a_100011997735_200025704644 [1,0,0,0,0,0|2,0,1]=4 1206 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_100010146563_200025704644 [1,0,0,0,0,0|2,1,0]=4 1207 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_200025704644_100010146563 [1,0,0,0,0,0|2,1,0]=4 1208 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_100010209939_200025704644 [1,0,0,0,0,0|2,1,0]=4 1209 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_200025704644_100010209939 [1,0,0,0,0,0|2,1,0]=4 1210 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_100000211747_200025704644 [1,0,0,0,0,0|2,1,0]=4 1211 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_200025704644_100000211747 [1,0,0,0,0,0|2,1,0]=4 1212 B11R1.280 [13CH3]Sc1cc(ccc1O)C#N 62a_200025704644_100000725478 [1,0,0,0,0,0|1,1,1]=4 1213 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [1,0,0,0,0,0|1,1,0]=3 1214 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [1,0,0,0,0,0|1,1,0]=3 1215 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [1,0,0,0,0,0|1,1,1]=4 1216 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [1,0,0,0,0,0|1,1,1]=4 1217 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_100010064886_200025704644 [1,0,0,0,0,0|2,1,0]=4 1218 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_200025704644_100010064886 [1,0,0,0,0,0|2,1,0]=4 1219 B11R1.280 [13CH3]Sc1ccc(c(c1)C#N)O 62a_200025704644_100000687585 [1,0,0,0,0,0|3,0,0]=4 1220 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)O 62a_200025704644_100000186750 [1,0,0,0,0,0|3,0,0]=4 1221 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_100000730032_200025704644 [1,0,0,0,0,0|3,0,0]=4 1222 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_200025704644_100000730032 [1,0,0,0,0,0|3,0,0]=4 1223 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_100000184703_200025704644 [1,0,0,0,0,0|3,0,0]=4 1224 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_200025704644_100000184703 [1,0,0,0,0,0|3,0,0]=4 1225 B13R1.49 C=Cc1cc(ccc1O)C(=O)OC 271570a_100011290941_100000216328 [0,1,0,0,0,0|2,0,1]=4 1226 B13R1.49 CCC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_100000210202 [0,1,0,0,0,0|2,0,1]=4 1227 B13R1.49 CCC(=O)c1ccc(c(c1)CC)Br 1458a_100010152358_100000210202 [0,1,0,0,0,0|2,0,1]=4 1228 B13R1.49 CCC(=O)c1ccc(c(c1)CC)Cl 1458a_100000102533_100000210202 [0,1,0,0,0,0|2,0,1]=4 1229 B13R1.49 CCC(=O)c1ccc(c(c1)CC)F 1458a_100009883079_100000210202 [0,1,0,0,0,0|2,0,1]=4 1230 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210202 [0,1,0,0,0,0|1,0,1]=3 1231 B13R1.49 CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210202 [0,1,0,0,0,0|1,0,1]=3 1232 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210202 [0,1,0,0,0,0|1,0,1]=3 1233 B13R1.49 CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210202 [0,1,0,0,0,0|1,0,1]=3 1234 B13R1.49 CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210202 [0,1,0,0,0,0|1,0,1]=3 1235 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210202 [0,1,0,0,0,0|0,0,1]=2 1236 B13R1.49 CCC(=O)c1ccc(c(c1)SC)F 62a_100011216493_200000210301 [0,1,0,0,0,0|1,1,1]=4 1237 B13R1.49 CCC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100011216493 [0,1,0,0,0,0|1,1,1]=4 1238 B13R1.49 CCC(=O)c1ccc(c(c1)S[13CH3])F 62a_100011216493_200025704644 [0,1,0,0,0,0|1,1,1]=4 1239 B13R1.49 CCC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100011216493 [0,1,0,0,0,0|1,1,1]=4 1240 B13R1.49 CCN(C)c1ccc(c(c1)OC)F 2230a_200012002703_100000210202 [0,1,0,0,0,0|2,0,1]=4 1241 B13R1.49 CCN(C)c1ccc(c(c1)OC)F 269982a_200012002703_100000204670 [0,1,0,0,0,0|2,0,1]=4 1242 B13R1.49 CCN(C)c1ccc(c(c1)OC)F 34a_200012002703_100000210202 [0,1,0,0,0,0|2,0,1]=4 1243 B13R1.49 CCN(C)c1ccc(c(c1)OC)F 38a_200012002703_100000204670 [0,1,0,0,0,0|2,0,1]=4 1244 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 11a_106832991635_100010152358 [0,1,0,0,0,0|3,0,0]=4 1245 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 1626a_100102657272_100010152358 [0,1,0,0,0,0|3,0,0]=4 1246 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 240690a_100102657272_100010152358 [0,1,0,0,0,0|3,0,0]=4 1247 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 527a_100102657272_100010152358 [0,1,0,0,0,0|3,0,0]=4 1248 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 11a_106832991635_100000102533 [0,1,0,0,0,0|3,0,0]=4 1249 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 1626a_100102657272_100000102533 [0,1,0,0,0,0|3,0,0]=4 1250 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 240690a_100102657272_100000102533 [0,1,0,0,0,0|3,0,0]=4 1251 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 527a_100102657272_100000102533 [0,1,0,0,0,0|3,0,0]=4 1252 B13R1.49 CCc1cc(ccc1F)C(=O)NC 11a_106832991635_100009883079 [0,1,0,0,0,0|3,0,0]=4 1253 B13R1.49 CCc1cc(ccc1F)C(=O)NC 1626a_100102657272_100009883079 [0,1,0,0,0,0|3,0,0]=4 1254 B13R1.49 CCc1cc(ccc1F)C(=O)NC 240690a_100102657272_100009883079 [0,1,0,0,0,0|3,0,0]=4 1255 B13R1.49 CCc1cc(ccc1F)C(=O)NC 527a_100102657272_100009883079 [0,1,0,0,0,0|3,0,0]=4 1256 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 2230a_100000737617_200000210301 [0,1,0,0,0,0|3,0,0]=4 1257 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 34a_100000737617_200000210301 [0,1,0,0,0,0|3,0,0]=4 1258 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 7a_100000737617_200000210301 [0,1,0,0,0,0|3,0,0]=4 1259 B13R1.49 CNC(=O)c1ccc(c(c1)NC)Cl 34a_100000740709_200000210301 [0,1,0,0,0,0|3,0,0]=4 1260 B13R1.49 CNC(=O)c1ccc(c(c1)NC)F 27a_100102657272_200012359898 [0,1,0,0,0,0|3,0,0]=4 1261 B13R1.49 CNC(=O)c1ccc(c(c1)NC)F 34a_100011295210_200000210301 [0,1,0,0,0,0|3,0,0]=4 1262 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 2230a_100000737617_200025704644 [0,1,0,0,0,0|3,0,0]=4 1263 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 34a_100000737617_200025704644 [0,1,0,0,0,0|3,0,0]=4 1264 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 7a_100000737617_200025704644 [0,1,0,0,0,0|3,0,0]=4 1265 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])Cl 34a_100000740709_200025704644 [0,1,0,0,0,0|3,0,0]=4 1266 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])F 34a_100011295210_200025704644 [0,1,0,0,0,0|3,0,0]=4 1267 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 11a_106832991635_100011934951 [0,1,0,0,0,0|2,0,0]=3 1268 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 1626a_100102657272_100011934951 [0,1,0,0,0,0|2,0,0]=3 1269 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 240690a_100102657272_100011934951 [0,1,0,0,0,0|2,0,0]=3 1270 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 527a_100102657272_100011934951 [0,1,0,0,0,0|2,0,0]=3 1271 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 11a_106832991635_100000212341 [0,1,0,0,0,0|2,0,0]=3 1272 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 1626a_100102657272_100000212341 [0,1,0,0,0,0|2,0,0]=3 1273 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 240690a_100102657272_100000212341 [0,1,0,0,0,0|2,0,0]=3 1274 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 527a_100102657272_100000212341 [0,1,0,0,0,0|2,0,0]=3 1275 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 11a_106832991635_100000181799 [0,1,0,0,0,0|2,0,0]=3 1276 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 1626a_100102657272_100000181799 [0,1,0,0,0,0|2,0,0]=3 1277 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 240690a_100102657272_100000181799 [0,1,0,0,0,0|2,0,0]=3 1278 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 527a_100102657272_100000181799 [0,1,0,0,0,0|2,0,0]=3 1279 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 11a_106832991635_100000757635 [0,1,0,0,0,0|2,0,0]=3 1280 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 1626a_100102657272_100000757635 [0,1,0,0,0,0|2,0,0]=3 1281 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 240690a_100102657272_100000757635 [0,1,0,0,0,0|2,0,0]=3 1282 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 527a_100102657272_100000757635 [0,1,0,0,0,0|2,0,0]=3 1283 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 11a_106832991635_100012356290 [0,1,0,0,0,0|2,0,0]=3 1284 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 1626a_100102657272_100012356290 [0,1,0,0,0,0|2,0,0]=3 1285 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 240690a_100102657272_100012356290 [0,1,0,0,0,0|2,0,0]=3 1286 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 527a_100102657272_100012356290 [0,1,0,0,0,0|2,0,0]=3 1287 B13R1.49 CNC(=O)c1ccc(c(c1)OC)O 240690a_100102657272_100000687070 [0,1,0,0,0,0|1,0,0]=2 1288 B13R1.49 CNC(=O)c1ccc(c(c1)SC)F 62a_200000210301_200012359898 [0,1,0,0,0,0|2,1,0]=4 1289 B13R1.49 CNC(=O)c1ccc(c(c1)SC)F 62a_200012359898_200000210301 [0,1,0,0,0,0|2,1,0]=4 1290 B13R1.49 CNC(=O)c1ccc(c(c1)S[13CH3])F 62a_200012359898_200025704644 [0,1,0,0,0,0|2,1,0]=4 1291 B13R1.49 CNC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_200012359898 [0,1,0,0,0,0|2,1,0]=4 1292 B13R1.49 CNC(C)c1ccc(c(c1)OC)Br 269862a_106832991636_100010110075 [0,1,0,0,0,0|2,0,1]=4 1293 B13R1.49 CNC(C)c1ccc(c(c1)OC)C 269862a_106832991636_100012706825 [0,1,0,0,0,0|2,0,1]=4 1294 B13R1.49 CNC(C)c1ccc(c(c1)OC)Cl 269862a_106832991636_100012002813 [0,1,0,0,0,0|2,0,1]=4 1295 B13R1.49 CNC(C)c1ccc(c(c1)OC)F 269862a_106832991636_100000694624 [0,1,0,0,0,0|2,0,1]=4 1296 B13R1.49 CN[C@@H](C)c1ccc(c(c1)OC)F 2230a_100025717271_200000210301 [0,1,0,0,0,0|2,0,1]=4 1297 B13R1.49 CN[C@@H](C)c1ccc(c(c1)OC)F 34a_100025717271_200000210301 [0,1,0,0,0,0|2,0,1]=4 1298 B13R1.49 COC(=O)c1cc(c(cn1)O)OC 271570a_203496583355_100010136178 [0,1,0,0,0,0|2,0,0]=3 1299 B13R1.49 COC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010150795 [0,1,0,0,0,0|3,0,0]=4 1300 B13R1.49 COC(=O)c1ccc(c(c1)C=O)O 271570a_203496583355_100012274322 [0,1,0,0,0,0|3,0,0]=4 1301 B13R1.49 COC(=O)c1ccc(c(c1)CO)O 271570a_203496583355_100010201863 [0,1,0,0,0,0|3,0,0]=4 1302 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 34a_100011934688_200000210301 [0,1,0,0,0,0|2,0,0]=3 1303 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 7a_100011934688_200000210301 [0,1,0,0,0,0|2,0,0]=3 1304 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 34a_100000736511_200000210301 [0,1,0,0,0,0|2,0,0]=3 1305 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 7a_100000736511_200000210301 [0,1,0,0,0,0|2,0,0]=3 1306 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 34a_100000103815_200000210301 [0,1,0,0,0,0|2,0,0]=3 1307 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 7a_100000103815_200000210301 [0,1,0,0,0,0|2,0,0]=3 1308 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 34a_100000062259_200000210301 [0,1,0,0,0,0|2,0,0]=3 1309 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 7a_100000062259_200000210301 [0,1,0,0,0,0|2,0,0]=3 1310 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 34a_100012350776_200000210301 [0,1,0,0,0,0|2,0,0]=3 1311 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 7a_100012350776_200000210301 [0,1,0,0,0,0|2,0,0]=3 1312 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 34a_100000757247_200000210301 [0,1,0,0,0,0|2,0,0]=3 1313 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 7a_100000757247_200000210301 [0,1,0,0,0,0|2,0,0]=3 1314 B13R1.49 COC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100009816954 [0,1,0,0,0,0|1,0,0]=2 1315 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 34a_100011934688_200025704644 [0,1,0,0,0,0|2,0,0]=3 1316 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100011934688_200025704644 [0,1,0,0,0,0|2,0,0]=3 1317 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000736511_200025704644 [0,1,0,0,0,0|2,0,0]=3 1318 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000736511_200025704644 [0,1,0,0,0,0|2,0,0]=3 1319 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 34a_100000103815_200025704644 [0,1,0,0,0,0|2,0,0]=3 1320 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 7a_100000103815_200025704644 [0,1,0,0,0,0|2,0,0]=3 1321 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000062259_200025704644 [0,1,0,0,0,0|2,0,0]=3 1322 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000062259_200025704644 [0,1,0,0,0,0|2,0,0]=3 1323 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 34a_100012350776_200025704644 [0,1,0,0,0,0|2,0,0]=3 1324 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 7a_100012350776_200025704644 [0,1,0,0,0,0|2,0,0]=3 1325 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 34a_100000757247_200025704644 [0,1,0,0,0,0|2,0,0]=3 1326 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000757247_200025704644 [0,1,0,0,0,0|2,0,0]=3 1327 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_100012349818_200000210301 [0,1,0,0,0,0|2,1,0]=4 1328 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_200000210301_100012349818 [0,1,0,0,0,0|2,1,0]=4 1329 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_100000723194_200000210301 [0,1,0,0,0,0|2,1,0]=4 1330 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_200000210301_100000723194 [0,1,0,0,0,0|2,1,0]=4 1331 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_100011294800_200000210301 [0,1,0,0,0,0|2,1,0]=4 1332 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_200000210301_100011294800 [0,1,0,0,0,0|2,1,0]=4 1333 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_100000722584_200000210301 [0,1,0,0,0,0|2,1,0]=4 1334 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100000722584 [0,1,0,0,0,0|2,1,0]=4 1335 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_100000187552_200000210301 [0,1,0,0,0,0|2,1,0]=4 1336 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_200000210301_100000187552 [0,1,0,0,0,0|2,1,0]=4 1337 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_100000216328_200000210301 [0,1,0,0,0,0|1,1,0]=3 1338 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100000216328 [0,1,0,0,0,0|1,1,0]=3 1339 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100012349818_200025704644 [0,1,0,0,0,0|2,1,0]=4 1340 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012349818 [0,1,0,0,0,0|2,1,0]=4 1341 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_100000723194_200025704644 [0,1,0,0,0,0|2,1,0]=4 1342 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100000723194 [0,1,0,0,0,0|2,1,0]=4 1343 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_100011294800_200025704644 [0,1,0,0,0,0|2,1,0]=4 1344 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011294800 [0,1,0,0,0,0|2,1,0]=4 1345 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000722584_200025704644 [0,1,0,0,0,0|2,1,0]=4 1346 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000722584 [0,1,0,0,0,0|2,1,0]=4 1347 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_100000187552_200025704644 [0,1,0,0,0,0|2,1,0]=4 1348 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_200025704644_100000187552 [0,1,0,0,0,0|2,1,0]=4 1349 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_100000216328_200025704644 [0,1,0,0,0,0|1,1,0]=3 1350 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100000216328 [0,1,0,0,0,0|1,1,0]=3 1351 B13R1.49 COC(=O)c1ccc(c(n1)OC)O 271570a_203496583355_100010189641 [0,1,0,0,0,0|2,0,0]=3 1352 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200000210301_200009815348 [0,1,0,0,0,0|2,1,0]=4 1353 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200009815348_200000210301 [0,1,0,0,0,0|2,1,0]=4 1354 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200009815348_200025704644 [0,1,0,0,0,0|2,1,0]=4 1355 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200025704644_200009815348 [0,1,0,0,0,0|2,1,0]=4 1356 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 34a_100009840551_200000210301 [0,1,0,0,0,0|3,0,0]=4 1357 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 7a_100009840551_200000210301 [0,1,0,0,0,0|3,0,0]=4 1358 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 34a_100010999399_200000210301 [0,1,0,0,0,0|3,0,0]=4 1359 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 7a_100010999399_200000210301 [0,1,0,0,0,0|3,0,0]=4 1360 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 34a_100009857207_200000210301 [0,1,0,0,0,0|3,0,0]=4 1361 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 7a_100009857207_200000210301 [0,1,0,0,0,0|3,0,0]=4 1362 B13R1.49 COC(=O)c1cnc(c(c1)OC)O 271570a_203496583355_100010074909 [0,1,0,0,0,0|2,0,0]=3 1363 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 34a_100009840551_200025704644 [0,1,0,0,0,0|3,0,0]=4 1364 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 7a_100009840551_200025704644 [0,1,0,0,0,0|3,0,0]=4 1365 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 34a_100010999399_200025704644 [0,1,0,0,0,0|3,0,0]=4 1366 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 7a_100010999399_200025704644 [0,1,0,0,0,0|3,0,0]=4 1367 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 34a_100009857207_200025704644 [0,1,0,0,0,0|3,0,0]=4 1368 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 7a_100009857207_200025704644 [0,1,0,0,0,0|3,0,0]=4 1369 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_100010109663_200000210301 [0,1,0,0,0,0|2,1,0]=4 1370 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_200000210301_100010109663 [0,1,0,0,0,0|2,1,0]=4 1371 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_100010109663_200025704644 [0,1,0,0,0,0|2,1,0]=4 1372 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_200025704644_100010109663 [0,1,0,0,0,0|2,1,0]=4 1373 B13R1.49 COc1cc(ccc1Br)C(=O)CF 1458a_100011934951_100015361967 [0,1,0,0,0,0|2,0,1]=4 1374 B13R1.49 COc1cc(ccc1C)C(=O)CF 1458a_100000212341_100015361967 [0,1,0,0,0,0|2,0,1]=4 1375 B13R1.49 COc1cc(ccc1Cl)C(=O)CF 1458a_100000181799_100015361967 [0,1,0,0,0,0|2,0,1]=4 1376 B13R1.49 COc1cc(ccc1F)C(=O)CF 1458a_100000757635_100015361967 [0,1,0,0,0,0|2,0,1]=4 1377 B13R1.49 COc1cc(ccc1F)[C@H](C)N[13CH3] 2230a_100025717271_200025704644 [0,1,0,0,0,0|2,0,1]=4 1378 B13R1.49 COc1cc(ccc1F)[C@H](C)N[13CH3] 34a_100025717271_200025704644 [0,1,0,0,0,0|2,0,1]=4 1379 B13R1.49 COc1cc(ccc1I)C(=O)CF 1458a_100012356290_100015361967 [0,1,0,0,0,0|2,0,1]=4 1380 B13R1.49 COc1cc(ccc1N)C(=O)NN 34a_200000073589_200000210301 [0,1,0,0,0,0|3,0,0]=4 1381 B13R1.49 COc1cc(ccc1O)C(=O)CF 1458a_100000687070_100015361967 [0,1,0,0,0,0|1,0,1]=3 1382 B13R1.49 [13CH3]Oc1cc(ccc1N)C(=O)NN 34a_200000073589_200025704644 [0,1,0,0,0,0|3,0,0]=4 1383 B13R1.52 C=Cc1cc(ccc1O)CC(=O)C 271570a_100011290941_100010141077 [0,1,0,0,0,0|1,0,2]=4 1384 B13R1.52 CC(=Cc1ccc(c(c1)C#N)Br)C 271570a_100102525489_100012355174 [0,1,0,0,0,0|3,0,0]=4 1385 B13R1.52 CC(=Cc1ccc(c(c1)C#N)C)C 271570a_100102525489_100000698047 [0,1,0,0,0,0|3,0,0]=4 1386 B13R1.52 CC(=Cc1ccc(c(c1)C#N)Cl)C 271570a_100102525489_100011356831 [0,1,0,0,0,0|3,0,0]=4 1387 B13R1.52 CC(=Cc1ccc(c(c1)C#N)F)C 271570a_100102525489_100000037165 [0,1,0,0,0,0|3,0,0]=4 1388 B13R1.52 CC(=Cc1ccc(c(c1)C#N)N)C 271570a_100102525489_100000688460 [0,1,0,0,0,0|3,0,0]=4 1389 B13R1.52 CC(=Cc1ccc(c(c1)C#N)O)C 271570a_100102525489_100000687585 [0,1,0,0,0,0|2,0,0]=3 1390 B13R1.52 CC(=Cc1ccc(c(c1)C=O)Br)C 271570a_100102525489_100010185652 [0,1,0,0,0,0|3,0,0]=4 1391 B13R1.52 CC(=Cc1ccc(c(c1)C=O)C)C 271570a_100102525489_100011361606 [0,1,0,0,0,0|3,0,0]=4 1392 B13R1.52 CC(=Cc1ccc(c(c1)C=O)Cl)C 271570a_100102525489_100010254384 [0,1,0,0,0,0|3,0,0]=4 1393 B13R1.52 CC(=Cc1ccc(c(c1)C=O)F)C 271570a_100102525489_100000211465 [0,1,0,0,0,0|3,0,0]=4 1394 B13R1.52 CC(=Cc1ccc(c(c1)C=O)N)C 271570a_100102525489_100011935258 [0,1,0,0,0,0|3,0,0]=4 1395 B13R1.52 CC(=Cc1ccc(c(c1)C=O)O)C 271570a_100102525489_100000186750 [0,1,0,0,0,0|2,0,0]=3 1396 B13R1.52 CC(=Cc1ccc(c(c1)CN)F)C 271570a_100102525489_100009815772 [0,1,0,0,0,0|3,0,0]=4 1397 B13R1.52 CC(=Cc1ccc(c(c1)CN)N)C 271570a_100102525489_100012349119 [0,1,0,0,0,0|3,0,0]=4 1398 B13R1.52 CC(=Cc1ccc(c(c1)CN)O)C 271570a_100102525489_100000730032 [0,1,0,0,0,0|2,0,0]=3 1399 B13R1.52 CC(=Cc1ccc(c(c1)CO)Br)C 271570a_100102525489_100012359683 [0,1,0,0,0,0|3,0,0]=4 1400 B13R1.52 CC(=Cc1ccc(c(c1)CO)C)C 271570a_100102525489_100000700630 [0,1,0,0,0,0|3,0,0]=4 1401 B13R1.52 CC(=Cc1ccc(c(c1)CO)Cl)C 271570a_100102525489_100010128486 [0,1,0,0,0,0|3,0,0]=4 1402 B13R1.52 CC(=Cc1ccc(c(c1)CO)F)C 271570a_100102525489_100000049604 [0,1,0,0,0,0|3,0,0]=4 1403 B13R1.52 CC(=Cc1ccc(c(c1)CO)N)C 271570a_100102525489_100012353972 [0,1,0,0,0,0|3,0,0]=4 1404 B13R1.52 CC(=Cc1ccc(c(c1)CO)O)C 271570a_100102525489_100000184703 [0,1,0,0,0,0|2,0,0]=3 1405 B13R1.52 CC(=Cc1ccc(c(c1)NN)F)C 271570a_100102525489_100020610843 [0,1,0,0,0,0|3,0,0]=4 1406 B13R1.52 CC(=Cc1cnc(c(c1)C#N)O)C 271570a_100102525489_100000697733 [0,1,0,0,0,0|3,0,0]=4 1407 B13R1.52 CC(=Cc1cnc(c(c1)CO)O)C 271570a_100102525489_100010065268 [0,1,0,0,0,0|3,0,0]=4 1408 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [0,1,0,0,0,0|0,1,1]=3 1409 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [0,1,0,0,0,0|0,1,1]=3 1410 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)O 22a_100011249283_100000070787 [0,1,0,0,0,0|3,0,0]=4 1411 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)O 527a_100011249283_100103153847 [0,1,0,0,0,0|3,0,0]=4 1412 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])C 34a_100000739390_200025704644 [0,1,0,0,0,0|3,0,0]=4 1413 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])C 7a_100000739390_200025704644 [0,1,0,0,0,0|3,0,0]=4 1414 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])Cl 34a_100000742996_200025704644 [0,1,0,0,0,0|3,0,0]=4 1415 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])F 34a_106454645589_200025704644 [0,1,0,0,0,0|3,0,0]=4 1416 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 34a_100011935283_200025704644 [0,1,0,0,0,0|2,0,0]=3 1417 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 7a_100011935283_200025704644 [0,1,0,0,0,0|2,0,0]=3 1418 B13R1.52 CC(=O)Nc1ccc(c(c1)S[13CH3])C 62a_200025704644_100011221169 [0,1,0,0,0,0|2,1,0]=4 1419 B13R1.52 CC(=O)Nc1ccc(c(c1)S[13CH3])F 62a_200025704644_100012348134 [0,1,0,0,0,0|2,1,0]=4 1420 B13R1.52 CC(=O)Oc1ccc(c(c1)C=O)O 271570a_203496583355_100009816906 [0,1,0,0,0,0|3,0,0]=4 1421 B13R1.52 CC(=O)Oc1ccc(c(c1)S[13CH3])C 62a_200025704644_200025702335 [0,1,0,0,0,0|2,1,0]=4 1422 B13R1.52 CCc1cc(ccc1Br)C=C(C)C 271570a_100102525489_100010244631 [0,1,0,0,0,0|2,0,0]=3 1423 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 11a_100010109747_100015343762 [0,1,0,0,0,0|3,0,0]=4 1424 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 1626a_100010109747_100015343762 [0,1,0,0,0,0|3,0,0]=4 1425 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 22a_100010109747_100000070787 [0,1,0,0,0,0|3,0,0]=4 1426 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 527a_100010109747_100103153847 [0,1,0,0,0,0|3,0,0]=4 1427 B13R1.52 CCc1cc(ccc1F)C=C(C)C 271570a_100102525489_100010244625 [0,1,0,0,0,0|2,0,0]=3 1428 B13R1.52 CCc1cc(ccc1N)C=C(C)C 271570a_100102525489_100000686106 [0,1,0,0,0,0|2,0,0]=3 1429 B13R1.52 CCc1cc(ccc1O)C=C(C)C 271570a_100102525489_100012338938 [0,1,0,0,0,0|1,0,0]=2 1430 B13R1.52 CCc1cc(ccc1O)SC(C)C 62a_100000210206_100012338938 [0,1,0,0,0,0|2,0,1]=4 1431 B13R1.52 CCc1nc(ccc1N)C=C(C)C 271570a_100102525489_100009871203 [0,1,0,0,0,0|3,0,0]=4 1432 B13R1.52 CCn1cc(ccc1=O)C=C(C)C 271570a_100102525489_100000231005 [0,1,0,0,0,0|2,0,1]=4 1433 B13R1.52 CNc1cc(ccc1C)C=C(C)C 271570a_100102525489_100020629602 [0,1,0,0,0,0|2,0,0]=3 1434 B13R1.52 CNc1cc(ccc1C)NC(=O)C 34a_100000739390_200000210301 [0,1,0,0,0,0|3,0,0]=4 1435 B13R1.52 CNc1cc(ccc1C)NC(=O)C 7a_100000739390_200000210301 [0,1,0,0,0,0|3,0,0]=4 1436 B13R1.52 CNc1cc(ccc1Cl)NC(=O)C 34a_100000742996_200000210301 [0,1,0,0,0,0|3,0,0]=4 1437 B13R1.52 CNc1cc(ccc1F)C=C(C)C 271570a_100102525489_100011314990 [0,1,0,0,0,0|2,0,0]=3 1438 B13R1.52 CNc1cc(ccc1F)NC(=O)C 34a_106454645589_200000210301 [0,1,0,0,0,0|3,0,0]=4 1439 B13R1.52 CNc1cc(ccc1N)C=C(C)C 271570a_100102525489_100000694363 [0,1,0,0,0,0|2,0,0]=3 1440 B13R1.52 CNc1cc(cnc1N)C=C(C)C 271570a_100102525489_100010506235 [0,1,0,0,0,0|3,0,0]=4 1441 B13R1.52 COc1cc(c[nH]c1=O)C=C(C)C 271570a_100102525489_100010125397 [0,1,0,0,0,0|1,0,1]=3 1442 B13R1.52 COc1cc(ccc1Br)C=C(C)C 271570a_100102525489_100012353699 [0,1,0,0,0,0|1,0,0]=2 1443 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [0,1,0,0,0,0|1,0,1]=3 1444 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [0,1,0,0,0,0|1,0,1]=3 1445 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [0,1,0,0,0,0|1,0,1]=3 1446 B13R1.52 COc1cc(ccc1Br)CN(C)C 2230a_100102631434_100010110085 [0,1,0,0,0,0|2,0,1]=4 1447 B13R1.52 COc1cc(ccc1Br)CN(C)C 269982a_100102631434_100010110085 [0,1,0,0,0,0|2,0,1]=4 1448 B13R1.52 COc1cc(ccc1Br)CN(C)C 270004a_100102631434_100010244714 [0,1,0,0,0,0|2,0,1]=4 1449 B13R1.52 COc1cc(ccc1Br)NC(=O)C 11a_100000765947_100015343762 [0,1,0,0,0,0|2,0,0]=3 1450 B13R1.52 COc1cc(ccc1Br)NC(=O)C 1626a_100000765947_100015343762 [0,1,0,0,0,0|2,0,0]=3 1451 B13R1.52 COc1cc(ccc1Br)NC(=O)C 22a_100000765947_100000070787 [0,1,0,0,0,0|2,0,0]=3 1452 B13R1.52 COc1cc(ccc1Br)NC(=O)C 527a_100000765947_100103153847 [0,1,0,0,0,0|2,0,0]=3 1453 B13R1.52 COc1cc(ccc1Br)NC(C)C 2230a_100000765947_100000210206 [0,1,0,0,0,0|2,0,1]=4 1454 B13R1.52 COc1cc(ccc1Br)NC(C)C 34a_100000765947_100000210206 [0,1,0,0,0,0|2,0,1]=4 1455 B13R1.52 COc1cc(ccc1Br)OC(C)C 34a_100011827694_100000210206 [0,1,0,0,0,0|2,0,1]=4 1456 B13R1.52 COc1cc(ccc1Br)OC(C)C 7a_100011827694_100000210206 [0,1,0,0,0,0|2,0,1]=4 1457 B13R1.52 COc1cc(ccc1Br)SC(C)C 62a_100000210206_100012353699 [0,1,0,0,0,0|2,0,1]=4 1458 B13R1.52 COc1cc(ccc1Br)SC(C)C 62a_100012353699_100000210206 [0,1,0,0,0,0|2,0,1]=4 1459 B13R1.52 COc1cc(ccc1C)C=C(C)C 271570a_100102525489_100011830276 [0,1,0,0,0,0|1,0,0]=2 1460 B13R1.52 COc1cc(ccc1C)CN(C)C 270004a_100102631434_100000719150 [0,1,0,0,0,0|2,0,1]=4 1461 B13R1.52 COc1cc(ccc1C)NC(=O)C 11a_100011279678_100015343762 [0,1,0,0,0,0|2,0,0]=3 1462 B13R1.52 COc1cc(ccc1C)NC(=O)C 1626a_100011279678_100015343762 [0,1,0,0,0,0|2,0,0]=3 1463 B13R1.52 COc1cc(ccc1C)NC(=O)C 22a_100011279678_100000070787 [0,1,0,0,0,0|2,0,0]=3 1464 B13R1.52 COc1cc(ccc1C)NC(=O)C 527a_100011279678_100103153847 [0,1,0,0,0,0|2,0,0]=3 1465 B13R1.52 COc1cc(ccc1C)NC(C)C 2230a_100011279678_100000210206 [0,1,0,0,0,0|2,0,1]=4 1466 B13R1.52 COc1cc(ccc1C)NC(C)C 34a_100011279678_100000210206 [0,1,0,0,0,0|2,0,1]=4 1467 B13R1.52 COc1cc(ccc1C)OC(C)C 34a_100009865632_100000210206 [0,1,0,0,0,0|2,0,1]=4 1468 B13R1.52 COc1cc(ccc1C)OC(C)C 7a_100009865632_100000210206 [0,1,0,0,0,0|2,0,1]=4 1469 B13R1.52 COc1cc(ccc1C)SC(C)C 62a_100000210206_100011830276 [0,1,0,0,0,0|2,0,1]=4 1470 B13R1.52 COc1cc(ccc1C)SC(C)C 62a_100011830276_100000210206 [0,1,0,0,0,0|2,0,1]=4 1471 B13R1.52 COc1cc(ccc1Cl)C=C(C)C 271570a_100102525489_100011356853 [0,1,0,0,0,0|1,0,0]=2 1472 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [0,1,0,0,0,0|1,0,1]=3 1473 B13R1.52 COc1cc(ccc1Cl)CN(C)C 2230a_100102631434_200010214485 [0,1,0,0,0,0|2,0,1]=4 1474 B13R1.52 COc1cc(ccc1Cl)CN(C)C 269982a_100102631434_200010214485 [0,1,0,0,0,0|2,0,1]=4 1475 B13R1.52 COc1cc(ccc1Cl)CN(C)C 270004a_100102631434_100011998524 [0,1,0,0,0,0|2,0,1]=4 1476 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 11a_100000742311_100015343762 [0,1,0,0,0,0|2,0,0]=3 1477 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 1626a_100000742311_100015343762 [0,1,0,0,0,0|2,0,0]=3 1478 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 22a_100000742311_100000070787 [0,1,0,0,0,0|2,0,0]=3 1479 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 34a_100011935283_200000210301 [0,1,0,0,0,0|2,0,0]=3 1480 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 527a_100000742311_100103153847 [0,1,0,0,0,0|2,0,0]=3 1481 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 7a_100011935283_200000210301 [0,1,0,0,0,0|2,0,0]=3 1482 B13R1.52 COc1cc(ccc1Cl)NC(C)C 2230a_100000742311_100000210206 [0,1,0,0,0,0|2,0,1]=4 1483 B13R1.52 COc1cc(ccc1Cl)NC(C)C 34a_100000742311_100000210206 [0,1,0,0,0,0|2,0,1]=4 1484 B13R1.52 COc1cc(ccc1Cl)OC(C)C 34a_100012186310_100000210206 [0,1,0,0,0,0|2,0,1]=4 1485 B13R1.52 COc1cc(ccc1Cl)OC(C)C 7a_100012186310_100000210206 [0,1,0,0,0,0|2,0,1]=4 1486 B13R1.52 COc1cc(ccc1Cl)SC(C)C 62a_100000210206_100011356853 [0,1,0,0,0,0|2,0,1]=4 1487 B13R1.52 COc1cc(ccc1Cl)SC(C)C 62a_100011356853_100000210206 [0,1,0,0,0,0|2,0,1]=4 1488 B13R1.52 COc1cc(ccc1F)C=C(C)C 271570a_100102525489_100011934186 [0,1,0,0,0,0|1,0,0]=2 1489 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [0,1,0,0,0,0|1,0,1]=3 1490 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [0,1,0,0,0,0|1,0,1]=3 1491 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [0,1,0,0,0,0|1,0,1]=3 1492 B13R1.52 COc1cc(ccc1F)CN(C)C 2230a_100102631434_100012349856 [0,1,0,0,0,0|2,0,1]=4 1493 B13R1.52 COc1cc(ccc1F)CN(C)C 269982a_100102631434_100012349856 [0,1,0,0,0,0|2,0,1]=4 1494 B13R1.52 COc1cc(ccc1F)CN(C)C 270004a_100102631434_100000692873 [0,1,0,0,0,0|2,0,1]=4 1495 B13R1.52 COc1cc(ccc1F)NC(=O)C 11a_100000701188_100015343762 [0,1,0,0,0,0|2,0,0]=3 1496 B13R1.52 COc1cc(ccc1F)NC(=O)C 1626a_100000701188_100015343762 [0,1,0,0,0,0|2,0,0]=3 1497 B13R1.52 COc1cc(ccc1F)NC(=O)C 22a_100000701188_100000070787 [0,1,0,0,0,0|2,0,0]=3 1498 B13R1.52 COc1cc(ccc1F)NC(=O)C 527a_100000701188_100103153847 [0,1,0,0,0,0|2,0,0]=3 1499 B13R1.52 COc1cc(ccc1F)NC(C)C 2230a_100000701188_100000210206 [0,1,0,0,0,0|2,0,1]=4 1500 B13R1.52 COc1cc(ccc1F)NC(C)C 34a_100000701188_100000210206 [0,1,0,0,0,0|2,0,1]=4 1501 B13R1.52 COc1cc(ccc1F)OC(C)C 34a_100012001760_100000210206 [0,1,0,0,0,0|2,0,1]=4 1502 B13R1.52 COc1cc(ccc1F)OC(C)C 7a_100012001760_100000210206 [0,1,0,0,0,0|2,0,1]=4 1503 B13R1.52 COc1cc(ccc1F)SC(C)C 62a_100000210206_100011934186 [0,1,0,0,0,0|2,0,1]=4 1504 B13R1.52 COc1cc(ccc1F)SC(C)C 62a_100011934186_100000210206 [0,1,0,0,0,0|2,0,1]=4 1505 B13R1.52 COc1cc(ccc1I)NC(=O)C 11a_100000746945_100015343762 [0,1,0,0,0,0|2,0,0]=3 1506 B13R1.52 COc1cc(ccc1I)NC(=O)C 1626a_100000746945_100015343762 [0,1,0,0,0,0|2,0,0]=3 1507 B13R1.52 COc1cc(ccc1I)NC(=O)C 22a_100000746945_100000070787 [0,1,0,0,0,0|2,0,0]=3 1508 B13R1.52 COc1cc(ccc1I)NC(=O)C 527a_100000746945_100103153847 [0,1,0,0,0,0|2,0,0]=3 1509 B13R1.52 COc1cc(ccc1I)NC(C)C 34a_100000746945_100000210206 [0,1,0,0,0,0|2,0,1]=4 1510 B13R1.52 COc1cc(ccc1N)C=C(C)C 271570a_100102525489_100011279103 [0,1,0,0,0,0|1,0,0]=2 1511 B13R1.52 COc1cc(ccc1N)OC(C)C 34a_100015326901_100000210206 [0,1,0,0,0,0|2,0,1]=4 1512 B13R1.52 COc1cc(ccc1N)OC(C)C 7a_100015326901_100000210206 [0,1,0,0,0,0|2,0,1]=4 1513 B13R1.52 COc1cc(ccc1N)SC(C)C 62a_100000210206_100015196925 [0,1,0,0,0,0|2,0,1]=4 1514 B13R1.52 COc1cc(ccc1N)SC(C)C 62a_100011279103_100000210206 [0,1,0,0,0,0|2,0,1]=4 1515 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [0,1,0,0,0,0|0,0,0]=1 1516 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [0,1,0,0,0,0|0,0,1]=2 1517 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [0,1,0,0,0,0|0,0,1]=2 1518 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [0,1,0,0,0,0|1,0,0]=2 1519 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [0,1,0,0,0,0|1,0,0]=2 1520 B13R1.52 COc1cc(ccc1O)NC(C)C 34a_100000726020_100000210206 [0,1,0,0,0,0|1,0,1]=3 1521 B13R1.52 COc1cc(ccc1O)SC(C)C 62a_100000210206_100000694246 [0,1,0,0,0,0|1,0,1]=3 1522 B13R1.52 COc1cc(cnc1C)C=C(C)C 271570a_100102525489_100010254219 [0,1,0,0,0,0|2,0,0]=3 1523 B13R1.52 COc1cc(cnc1F)C=C(C)C 271570a_100102525489_100010214931 [0,1,0,0,0,0|2,0,0]=3 1524 B13R1.52 COc1cc(cnc1N)C=C(C)C 271570a_100102525489_106354213024 [0,1,0,0,0,0|2,0,0]=3 1525 B13R1.52 COc1cc(ncc1C)C=C(C)C 271570a_100102525489_100010067687 [0,1,0,0,0,0|2,0,0]=3 1526 B13R1.52 COc1cc(ncc1F)C=C(C)C 271570a_100102525489_200010136270 [0,1,0,0,0,0|2,0,0]=3 1527 B13R1.52 COc1cc(ncc1N)C=C(C)C 271570a_100102525489_100009887741 [0,1,0,0,0,0|2,0,0]=3 1528 B13R1.52 COc1cc(nnc1N)C=C(C)C 271570a_100102525489_100000688033 [0,1,0,0,0,0|3,0,0]=4 1529 B13R1.52 COc1nc(ccc1Br)CC(=O)C 1458a_100000070787_200010066506 [0,1,0,0,0,0|2,0,1]=4 1530 B13R1.52 COc1nc(ccc1N)C=C(C)C 271570a_100102525489_100000687816 [0,1,0,0,0,0|2,0,0]=3 1531 B13R1.52 COc1nc(ccc1O)C=C(C)C 271570a_100102525489_100010893133 [0,1,0,0,0,0|1,0,0]=2 1532 B13R1.52 COc1nc(ccc1O)SC(C)C 62a_100000210206_100010893133 [0,1,0,0,0,0|2,0,1]=4 1533 B13R1.52 COc1nc(cnc1N)C=C(C)C 271570a_100102525489_100009816943 [0,1,0,0,0,0|3,0,0]=4 1534 B13R1.52 COc1nc(cnc1O)C=C(C)C 271570a_100102525489_200010365344 [0,1,0,0,0,0|2,0,0]=3 1535 B13R1.52 COc1nc(ncc1C)C=C(C)C 271570a_100102525489_100012500371 [0,1,0,0,0,0|3,0,0]=4 1536 B13R1.52 COc1nc(ncc1F)C=C(C)C 271570a_100102525489_100012183945 [0,1,0,0,0,0|3,0,0]=4 1537 B13R1.52 COc1nc(ncc1N)C=C(C)C 271570a_100102525489_100012122185 [0,1,0,0,0,0|3,0,0]=4 1538 B13R1.52 CSc1cc(ccc1C)NC(=O)C 62a_200000210301_100011221169 [0,1,0,0,0,0|2,1,0]=4 1539 B13R1.52 CSc1cc(ccc1C)OC(=O)C 62a_200000210301_200025702335 [0,1,0,0,0,0|2,1,0]=4 1540 B13R1.52 CSc1cc(ccc1F)C=C(C)C 271570a_100102525489_100010341305 [0,1,0,0,0,0|1,1,0]=3 1541 B13R1.52 CSc1cc(ccc1F)NC(=O)C 62a_200000210301_100012348134 [0,1,0,0,0,0|2,1,0]=4 1542 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [0,1,0,0,0,0|0,1,1]=3 1543 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [0,1,0,0,0,0|0,1,1]=3 1544 B13R1.384 C=C=Cc1ccc(c(c1)CNC)O 271570a_100015277604_100011602694 [0,1,0,0,0,0|1,0,2]=4 1545 B13R1.384 C=C=Cc1ccc(c(c1)COC)Br 271570a_100015277604_202125822959 [0,1,0,0,0,0|1,0,2]=4 1546 B13R1.384 C=C=Cc1ccc(c(c1)COC)F 271570a_100015277604_100010140362 [0,1,0,0,0,0|1,0,2]=4 1547 B13R1.384 C=C=Cc1ccc(c(c1)OCC)C 271570a_100015277604_100012361169 [0,1,0,0,0,0|1,0,2]=4 1548 B13R1.384 C=C=Cc1ccc(c(c1)OCC)F 271570a_100015277604_200012344967 [0,1,0,0,0,0|1,0,2]=4 1549 B13R1.384 C=C=Cc1ccc(c(c1)OCC)N 271570a_100015277604_100000688918 [0,1,0,0,0,0|1,0,2]=4 1550 B13R1.384 CC=Cc1cc(c(cn1)N)OCC 271570a_100016259895_100015764953 [0,1,0,0,0,0|2,0,0]=3 1551 B13R1.384 CC=Cc1ccc(c(c1)CC#N)Br 271570a_100016259895_100010146707 [0,1,0,0,0,0|2,0,1]=4 1552 B13R1.384 CC=Cc1ccc(c(c1)CC#N)C 271570a_100016259895_100010147029 [0,1,0,0,0,0|2,0,1]=4 1553 B13R1.384 CC=Cc1ccc(c(c1)CC#N)F 271570a_100016259895_100000739769 [0,1,0,0,0,0|2,0,1]=4 1554 B13R1.384 CC=Cc1ccc(c(c1)CC#N)N 271570a_100016259895_100010188562 [0,1,0,0,0,0|2,0,1]=4 1555 B13R1.384 CC=Cc1ccc(c(c1)CNC)C 271570a_100016259895_106744473289 [0,1,0,0,0,0|2,0,0]=3 1556 B13R1.384 CC=Cc1ccc(c(c1)CNC)F 271570a_100016259895_100000748472 [0,1,0,0,0,0|2,0,0]=3 1557 B13R1.384 CC=Cc1ccc(c(c1)CNC)O 271570a_100016259895_100011602694 [0,1,0,0,0,0|1,0,0]=2 1558 B13R1.384 CC=Cc1ccc(c(c1)COC)Br 271570a_100016259895_202125822959 [0,1,0,0,0,0|1,0,0]=2 1559 B13R1.384 CC=Cc1ccc(c(c1)COC)F 271570a_100016259895_100010140362 [0,1,0,0,0,0|1,0,0]=2 1560 B13R1.384 CC=Cc1ccc(c(c1)NCC)N 271570a_100016259895_100000696630 [0,1,0,0,0,0|2,0,0]=3 1561 B13R1.384 CC=Cc1ccc(c(c1)OCC)C 271570a_100016259895_100012361169 [0,1,0,0,0,0|1,0,0]=2 1562 B13R1.384 CC=Cc1ccc(c(c1)OCC)F 271570a_100016259895_200012344967 [0,1,0,0,0,0|1,0,0]=2 1563 B13R1.384 CC=Cc1ccc(c(c1)OCC)N 271570a_100016259895_100000688918 [0,1,0,0,0,0|1,0,0]=2 1564 B13R1.384 CC=Cc1cnc(c(c1)OCC)F 271570a_100016259895_100010732568 [0,1,0,0,0,0|2,0,0]=3 1565 B13R1.384 CC=Cc1cnc(c(n1)OCC)N 271570a_100016259895_200010196039 [0,1,0,0,0,0|3,0,0]=4 1566 B13R1.384 CCNc1ccc(c(c1)OCC)Br 2230a_200016990551_100000210202 [0,1,0,0,0,0|2,0,1]=4 1567 B13R1.384 CCNc1ccc(c(c1)OCC)Br 34a_200016990551_100000210202 [0,1,0,0,0,0|2,0,1]=4 1568 B13R1.384 CCNc1ccc(c(c1)OCC)Br 7a_200016990551_100000210202 [0,1,0,0,0,0|2,0,1]=4 1569 B13R1.384 CCNc1ccc(c(c1)OCC)Cl 2230a_100011964961_100000210202 [0,1,0,0,0,0|2,0,1]=4 1570 B13R1.384 CCNc1ccc(c(c1)OCC)Cl 34a_100011964961_100000210202 [0,1,0,0,0,0|2,0,1]=4 1571 B13R1.384 CCOc1cc(ccc1Br)CNC 207a_100102657272_200010381951 [0,1,0,0,0,0|2,0,1]=4 1572 B13R1.384 CCOc1cc(ccc1Br)CNC 270004a_106832991635_200010381951 [0,1,0,0,0,0|2,0,1]=4 1573 B13R1.384 CCOc1cc(ccc1C)SCC 62a_100000210202_100012361169 [0,1,0,0,0,0|2,0,1]=4 1574 B13R1.384 CCOc1cc(ccc1C)SCC 62a_100012361169_100000210202 [0,1,0,0,0,0|2,0,1]=4 1575 B13R1.384 CCOc1cc(ccc1F)CNC 207a_100102657272_200000106648 [0,1,0,0,0,0|2,0,1]=4 1576 B13R1.384 CCOc1cc(ccc1F)CNC 270004a_106832991635_200000106648 [0,1,0,0,0,0|2,0,1]=4 1577 B13R1.384 CCOc1cc(ccc1F)SCC 62a_100000210202_200012344967 [0,1,0,0,0,0|2,0,1]=4 1578 B13R1.384 CCOc1cc(ccc1F)SCC 62a_200012344967_100000210202 [0,1,0,0,0,0|2,0,1]=4 1579 B13R1.384 CCOc1cc(ccc1N)SCC 62a_100000688918_100000210202 [0,1,0,0,0,0|2,0,1]=4 1580 B13R1.384 CCOc1cc(ccc1O)CNC 34a_200000751567_200000210301 [0,1,0,0,0,0|1,0,1]=3 1581 B13R1.384 CCOc1cc(ccc1O)CN[13CH3] 34a_200000751567_200025704644 [0,1,0,0,0,0|1,0,1]=3 1582 B13R1.384 CCOc1ccc(c(n1)OCC)O 271570a_203496583355_200010081131 [0,1,0,0,0,0|2,0,1]=4 1583 B13R1.384 CCSc1ccc(c(c1)CNC)O 62a_100000210202_100011602694 [0,1,0,0,0,0|2,0,1]=4 1584 B13R1.384 CCSc1ccc(c(c1)CNC)O 62a_100011602694_100000210202 [0,1,0,0,0,0|2,0,1]=4 1585 B13R1.384 CCSc1ccc(c(c1)COC)Br 62a_100000210202_202125822959 [0,1,0,0,0,0|2,0,1]=4 1586 B13R1.384 CCSc1ccc(c(c1)COC)Br 62a_202125822959_100000210202 [0,1,0,0,0,0|2,0,1]=4 1587 B13R1.384 CCSc1ccc(c(c1)COC)F 62a_100000210202_100010140362 [0,1,0,0,0,0|2,0,1]=4 1588 B13R1.384 CCSc1ccc(c(c1)COC)F 62a_100010140362_100000210202 [0,1,0,0,0,0|2,0,1]=4 1589 B13R1.386 C=C=Cc1cc(c(cn1)CO)OC 271570a_100015277604_100010714672 [0,1,0,0,0,0|1,0,2]=4 1590 B13R1.386 C=C=Cc1ccc(c(c1)CC)OC 271570a_100015277604_200010179862 [0,1,0,0,0,0|1,0,2]=4 1591 B13R1.386 C=C=Cc1ccc(c(c1)OC)C#N 271570a_100015277604_100000694671 [0,1,0,0,0,0|1,0,2]=4 1592 B13R1.386 C=C=Cc1ccc(c(c1)OC)C=O 271570a_100015277604_100000697075 [0,1,0,0,0,0|0,0,3]=4 1593 B13R1.386 C=C=Cc1ccc(c(c1)OC)CC 271570a_100015277604_200010710398 [0,1,0,0,0,0|1,0,2]=4 1594 B13R1.386 C=C=Cc1ccc(c(c1)OC)CO 271570a_100015277604_100011277633 [0,1,0,0,0,0|0,0,2]=3 1595 B13R1.386 C=C=Cc1ccc(c(c1)OC)OC 271570a_100015277604_100000187503 [0,1,0,0,0,0|0,0,2]=3 1596 B13R1.386 C=C=Cc1ccc(c(c1)OC)SC 271570a_100015277604_200011001119 [0,1,0,0,0,0|0,1,2]=4 1597 B13R1.386 C=C=Cc1ccc(c(c1)SC)OC 271570a_100015277604_200009892704 [0,1,0,0,0,0|0,1,2]=4 1598 B13R1.386 C=C=Cc1ccc(c(n1)OC)CO 271570a_100015277604_100010988397 [0,1,0,0,0,0|1,0,2]=4 1599 B13R1.386 C=C=Cc1ccc(c(n1)OC)OC 271570a_100015277604_100010214848 [0,1,0,0,0,0|1,0,2]=4 1600 B13R1.386 C=C=Cc1cnc(c(c1)OC)CO 271570a_100015277604_200010246159 [0,1,0,0,0,0|1,0,2]=4 1601 B13R1.386 C=C=Cc1cnc(c(c1)OC)OC 271570a_100015277604_100010234541 [0,1,0,0,0,0|1,0,2]=4 1602 B13R1.386 C=CCc1ccc(c(c1)OC)OC 34a_100000181329_200000210301 [0,1,0,0,0,0|0,0,2]=3 1603 B13R1.386 C=CCc1ccc(c(c1)OC)O[13CH3] 34a_100000181329_200025704644 [0,1,0,0,0,0|0,0,2]=3 1604 B13R1.386 CC=Cc1cc(c(cn1)C#N)OC 271570a_100016259895_100009830018 [0,1,0,0,0,0|2,0,0]=3 1605 B13R1.386 CC=Cc1cc(c(cn1)CO)OC 271570a_100016259895_100010714672 [0,1,0,0,0,0|1,0,0]=2 1606 B13R1.386 CC=Cc1cc(c(nn1)OC)OC 271570a_100016259895_200000095610 [0,1,0,0,0,0|2,0,0]=3 1607 B13R1.386 CC=Cc1ccc(c(c1)C#N)C#N 271570a_100016259895_100000016123 [0,1,0,0,0,0|3,0,0]=4 1608 B13R1.386 CC=Cc1ccc(c(c1)C#N)C=O 271570a_100016259895_100012001787 [0,1,0,0,0,0|2,0,1]=4 1609 B13R1.386 CC=Cc1ccc(c(c1)C#N)NC 271570a_100016259895_100013037436 [0,1,0,0,0,0|3,0,0]=4 1610 B13R1.386 CC=Cc1ccc(c(c1)C#N)OC 271570a_100016259895_100000188252 [0,1,0,0,0,0|2,0,0]=3 1611 B13R1.386 CC=Cc1ccc(c(c1)C=O)C#N 271570a_100016259895_100010194279 [0,1,0,0,0,0|3,0,0]=4 1612 B13R1.386 CC=Cc1ccc(c(c1)C=O)C=O 271570a_100016259895_200010077131 [0,1,0,0,0,0|2,0,1]=4 1613 B13R1.386 CC=Cc1ccc(c(c1)C=O)OC 271570a_100016259895_100000170026 [0,1,0,0,0,0|2,0,0]=3 1614 B13R1.386 CC=Cc1ccc(c(c1)CC)C=O 271570a_100016259895_100010209654 [0,1,0,0,0,0|1,0,1]=3 1615 B13R1.386 CC=Cc1ccc(c(c1)CC)NN 271570a_100016259895_100000700371 [0,1,0,0,0,0|2,0,0]=3 1616 B13R1.386 CC=Cc1ccc(c(c1)CC)OC 271570a_100016259895_200010179862 [0,1,0,0,0,0|1,0,0]=2 1617 B13R1.386 CC=Cc1ccc(c(c1)CN)OC 271570a_100016259895_100000690498 [0,1,0,0,0,0|2,0,0]=3 1618 B13R1.386 CC=Cc1ccc(c(c1)CO)CC 271570a_100016259895_100010766240 [0,1,0,0,0,0|3,0,0]=4 1619 B13R1.386 CC=Cc1ccc(c(c1)CO)CO 271570a_100016259895_100000719600 [0,1,0,0,0,0|2,0,0]=3 1620 B13R1.386 CC=Cc1ccc(c(c1)CO)OC 271570a_100016259895_100000204679 [0,1,0,0,0,0|2,0,0]=3 1621 B13R1.386 CC=Cc1ccc(c(c1)NC)C#N 271570a_100016259895_200012356631 [0,1,0,0,0,0|2,0,0]=3 1622 B13R1.386 CC=Cc1ccc(c(c1)OC)C#N 271570a_100016259895_100000694671 [0,1,0,0,0,0|1,0,0]=2 1623 B13R1.386 CC=Cc1ccc(c(c1)OC)C=O 271570a_100016259895_100000697075 [0,1,0,0,0,0|0,0,1]=2 1624 B13R1.386 CC=Cc1ccc(c(c1)OC)CC 271570a_100016259895_200010710398 [0,1,0,0,0,0|1,0,0]=2 1625 B13R1.386 CC=Cc1ccc(c(c1)OC)CO 271570a_100016259895_100011277633 [0,1,0,0,0,0|0,0,0]=1 1626 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [0,1,0,0,0,0|0,0,0]=1 1627 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [0,1,0,0,0,0|0,0,0]=1 1628 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [0,1,0,0,0,0|0,0,0]=1 1629 B13R1.386 CC=Cc1ccc(c(c1)OC)SC 271570a_100016259895_200011001119 [0,1,0,0,0,0|0,1,0]=2 1630 B13R1.386 CC=Cc1ccc(c(c1)SC)OC 271570a_100016259895_200009892704 [0,1,0,0,0,0|0,1,0]=2 1631 B13R1.386 CC=Cc1ccc(c(n1)C#N)OC 271570a_100016259895_100011093937 [0,1,0,0,0,0|3,0,0]=4 1632 B13R1.386 CC=Cc1ccc(c(n1)OC)C#N 271570a_100016259895_100000708423 [0,1,0,0,0,0|2,0,0]=3 1633 B13R1.386 CC=Cc1ccc(c(n1)OC)C=O 271570a_100016259895_100009864722 [0,1,0,0,0,0|1,0,1]=3 1634 B13R1.386 CC=Cc1ccc(c(n1)OC)CN 271570a_100016259895_100015687481 [0,1,0,0,0,0|2,0,0]=3 1635 B13R1.386 CC=Cc1ccc(c(n1)OC)CO 271570a_100016259895_100010988397 [0,1,0,0,0,0|1,0,0]=2 1636 B13R1.386 CC=Cc1ccc(c(n1)OC)OC 271570a_100016259895_100010214848 [0,1,0,0,0,0|1,0,0]=2 1637 B13R1.386 CC=Cc1cnc(c(c1)C#N)OC 271570a_100016259895_100011935052 [0,1,0,0,0,0|3,0,0]=4 1638 B13R1.386 CC=Cc1cnc(c(c1)C=O)OC 271570a_100016259895_100009814609 [0,1,0,0,0,0|3,0,0]=4 1639 B13R1.386 CC=Cc1cnc(c(c1)CO)OC 271570a_100016259895_100000695684 [0,1,0,0,0,0|3,0,0]=4 1640 B13R1.386 CC=Cc1cnc(c(c1)OC)C#N 271570a_100016259895_100000719880 [0,1,0,0,0,0|2,0,0]=3 1641 B13R1.386 CC=Cc1cnc(c(c1)OC)C=O 271570a_100016259895_100010246152 [0,1,0,0,0,0|1,0,1]=3 1642 B13R1.386 CC=Cc1cnc(c(c1)OC)CO 271570a_100016259895_200010246159 [0,1,0,0,0,0|1,0,0]=2 1643 B13R1.386 CC=Cc1cnc(c(c1)OC)OC 271570a_100016259895_100010234541 [0,1,0,0,0,0|1,0,0]=2 1644 B13R1.386 CC=Cc1cnc(c(n1)OC)OC 271570a_100016259895_100010132954 [0,1,0,0,0,0|2,0,0]=3 1645 B13R1.386 CC=Cc1ncc(c(n1)OC)C#N 271570a_100016259895_100009870535 [0,1,0,0,0,0|3,0,0]=4 1646 B13R1.386 CC=Cc1ncc(c(n1)OC)CO 271570a_100016259895_200011024631 [0,1,0,0,0,0|2,0,0]=3 1647 B13R1.386 CC=Cc1ncc(c(n1)OC)OC 271570a_100016259895_100010280452 [0,1,0,0,0,0|2,0,0]=3 1648 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [0,1,0,0,0,0|0,0,2]=3 1649 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [0,1,0,0,0,0|0,0,2]=3 1650 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [0,1,0,0,0,0|0,0,2]=3 1651 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [0,1,0,0,0,0|0,0,2]=3 1652 B13R1.386 CCNc1ccc(c(c1)OC)C#N 34a_100011999456_100000210202 [0,1,0,0,0,0|2,0,1]=4 1653 B13R1.386 CCNc1ccc(c(c1)OC)CO 34a_100012183141_100000210202 [0,1,0,0,0,0|1,0,1]=3 1654 B13R1.386 CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210202 [0,1,0,0,0,0|1,0,1]=3 1655 B13R1.386 CCOc1ccc(c(c1)OC)CO 34a_200000116926_100000210202 [0,1,0,0,0,0|1,0,1]=3 1656 B13R1.386 CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210202 [0,1,0,0,0,0|1,0,1]=3 1657 B13R1.386 CCSc1cc(c(cn1)CO)OC 62a_100000210202_100010714672 [0,1,0,0,0,0|2,0,1]=4 1658 B13R1.386 CCSc1cc(c(cn1)CO)OC 62a_100010714672_100000210202 [0,1,0,0,0,0|2,0,1]=4 1659 B13R1.386 CCSc1ccc(c(c1)CC)OC 62a_100000210202_200010179862 [0,1,0,0,0,0|2,0,1]=4 1660 B13R1.386 CCSc1ccc(c(c1)CC)OC 62a_200010179862_100000210202 [0,1,0,0,0,0|2,0,1]=4 1661 B13R1.386 CCSc1ccc(c(c1)OC)C#N 62a_100000210202_100000694671 [0,1,0,0,0,0|2,0,1]=4 1662 B13R1.386 CCSc1ccc(c(c1)OC)C=O 62a_100000210202_100010290300 [0,1,0,0,0,0|1,0,2]=4 1663 B13R1.386 CCSc1ccc(c(c1)OC)C=O 62a_100000697075_100000210202 [0,1,0,0,0,0|1,0,2]=4 1664 B13R1.386 CCSc1ccc(c(c1)OC)CC 62a_100000210202_200010710398 [0,1,0,0,0,0|2,0,1]=4 1665 B13R1.386 CCSc1ccc(c(c1)OC)CC 62a_200010710398_100000210202 [0,1,0,0,0,0|2,0,1]=4 1666 B13R1.386 CCSc1ccc(c(c1)OC)CO 62a_100000210202_100011277633 [0,1,0,0,0,0|1,0,1]=3 1667 B13R1.386 CCSc1ccc(c(c1)OC)CO 62a_100011277633_100000210202 [0,1,0,0,0,0|1,0,1]=3 1668 B13R1.386 CCSc1ccc(c(c1)OC)OC 62a_100000210202_100011356967 [0,1,0,0,0,0|1,0,1]=3 1669 B13R1.386 CCSc1ccc(c(c1)OC)SC 62a_200011001119_100000210202 [0,1,0,0,0,0|1,1,1]=4 1670 B13R1.386 CCSc1ccc(c(c1)SC)OC 62a_200009892704_100000210202 [0,1,0,0,0,0|1,1,1]=4 1671 B13R1.386 CCSc1ccc(c(n1)OC)CO 62a_100000210202_100010988397 [0,1,0,0,0,0|2,0,1]=4 1672 B13R1.386 CCSc1ccc(c(n1)OC)CO 62a_100010988397_100000210202 [0,1,0,0,0,0|2,0,1]=4 1673 B13R1.386 CCSc1ccc(c(n1)OC)OC 62a_100000210202_100010214848 [0,1,0,0,0,0|2,0,1]=4 1674 B13R1.386 CCSc1cnc(c(c1)OC)CO 62a_100000210202_200010246159 [0,1,0,0,0,0|2,0,1]=4 1675 B13R1.386 CCSc1cnc(c(c1)OC)CO 62a_200010246159_100000210202 [0,1,0,0,0,0|2,0,1]=4 1676 B13R1.386 CCSc1cnc(c(c1)OC)OC 62a_100000210202_100010234541 [0,1,0,0,0,0|2,0,1]=4 1677 B13R1.386 CNCc1ccc(c(c1)OC)C#N 207a_100102657272_100000726430 [0,1,0,0,0,0|2,0,1]=4 1678 B13R1.386 CNCc1ccc(c(c1)OC)C#N 270004a_106832991635_100000726430 [0,1,0,0,0,0|2,0,1]=4 1679 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [0,1,0,0,0,0|1,0,1]=3 1680 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [0,1,0,0,0,0|1,0,1]=3 1681 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [0,1,0,0,0,0|1,0,1]=3 1682 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [0,1,0,0,0,0|1,0,1]=3 1683 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [0,1,0,0,0,0|1,0,1]=3 1684 B13R1.386 CNCc1ccc(c(c1)OC)SC 207a_100102657272_100000050949 [0,1,0,0,0,0|1,1,1]=4 1685 B13R1.386 CNCc1ccc(c(c1)OC)SC 270004a_106832991635_100000050949 [0,1,0,0,0,0|1,1,1]=4 1686 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [0,1,0,0,0,0|1,0,1]=3 1687 B13R1.386 CNCc1cnc(c(c1)OC)OC 207a_100102657272_100000117638 [0,1,0,0,0,0|2,0,1]=4 1688 B13R1.386 CNCc1cnc(c(c1)OC)OC 270004a_106832991635_100000117638 [0,1,0,0,0,0|2,0,1]=4 1689 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [0,1,0,0,0,0|1,0,1]=3 1690 B13R1.386 COc1cc(ccc1CO)NCF 34a_100012183141_100015361967 [0,1,0,0,0,0|2,0,1]=4 1691 B13R1.386 COc1cc(ccc1CO)OCF 34a_200000116926_100015361967 [0,1,0,0,0,0|2,0,1]=4 1692 B13R1.386 COc1cc(ccc1CO)SCF 62a_100011277633_100015361967 [0,1,0,0,0,0|2,0,1]=4 1693 B13R1.386 COc1cc(ccc1CO)SCF 62a_100015361967_100011277633 [0,1,0,0,0,0|2,0,1]=4 1694 B13R1.386 COc1cc(ccc1O[13CH3])CC#N 34a_100000032377_200025704644 [0,1,0,0,0,0|1,0,2]=4 1695 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 34a_100010741665_200025704644 [0,1,0,0,0,0|1,0,2]=4 1696 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 7a_100010741665_200025704644 [0,1,0,0,0,0|1,0,2]=4 1697 B13R1.386 COc1cc(ccc1O[13CH3])CCN 34a_100000756042_200025704644 [0,1,0,0,0,0|1,0,2]=4 1698 B13R1.386 COc1cc(ccc1O[13CH3])CCO 34a_100011215244_200025704644 [0,1,0,0,0,0|1,0,2]=4 1699 B13R1.386 COc1ccc(cc1OC)CC#N 34a_100000032377_200000210301 [0,1,0,0,0,0|1,0,2]=4 1700 B13R1.386 COc1ccc(cc1OC)CCBr 34a_100010741665_200000210301 [0,1,0,0,0,0|1,0,2]=4 1701 B13R1.386 COc1ccc(cc1OC)CCBr 7a_100010741665_200000210301 [0,1,0,0,0,0|1,0,2]=4 1702 B13R1.386 COc1ccc(cc1OC)CCN 34a_100000756042_200000210301 [0,1,0,0,0,0|1,0,2]=4 1703 B13R1.386 COc1ccc(cc1OC)CCN 34a_100011207234_200000210301 [0,1,0,0,0,0|1,0,2]=4 1704 B13R1.386 COc1ccc(cc1OC)CCO 34a_100011215244_200000210301 [0,1,0,0,0,0|1,0,2]=4 1705 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [0,1,0,0,0,0|1,0,1]=3 1706 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [0,1,0,0,0,0|1,0,1]=3 1707 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [0,1,0,0,0,0|1,0,1]=3 1708 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [0,1,0,0,0,0|1,0,1]=3 1709 B13R1.386 COc1ccc(cc1OC)NCF 34a_100000187404_100015361967 [0,1,0,0,0,0|2,0,1]=4 1710 B13R1.386 COc1ccc(cc1OC)OCF 34a_100000039706_100015361967 [0,1,0,0,0,0|2,0,1]=4 1711 B13R1.386 COc1ccc(cc1OC)SCF 62a_100015361967_100011356967 [0,1,0,0,0,0|2,0,1]=4 1712 B13R1.386 COc1ccc(cc1O[13CH3])CCN 34a_100011207234_200025704644 [0,1,0,0,0,0|1,0,2]=4 1713 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)C)O 271570a_100015277604_100000212127 [0,1,0,0,0,0|1,0,2]=4 1714 B13R1.387 C=C=Cc1ccc(c(c1)C(C)C)O 271570a_100015277604_100000691460 [0,1,0,0,0,0|1,0,2]=4 1715 B13R1.387 CC=Cc1cc(c(cn1)F)C(=O)C 271570a_100016259895_100000697832 [0,1,0,0,0,0|3,0,0]=4 1716 B13R1.387 CC=Cc1ccc(=O)n(c1)C(C)C 271570a_100016259895_100016995121 [0,1,0,0,0,0|2,0,1]=4 1717 B13R1.387 CC=Cc1ccc(c(c1)B(O)O)Br 271570a_100016259895_200010171685 [0,1,0,0,0,0|3,0,0]=4 1718 B13R1.387 CC=Cc1ccc(c(c1)B(O)O)C 271570a_100016259895_100010223188 [0,1,0,0,0,0|3,0,0]=4 1719 B13R1.387 CC=Cc1ccc(c(c1)B(O)O)F 271570a_100016259895_100011356809 [0,1,0,0,0,0|3,0,0]=4 1720 B13R1.387 CC=Cc1ccc(c(c1)B(O)O)O 271570a_100016259895_200009814749 [0,1,0,0,0,0|2,0,0]=3 1721 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)C 271570a_100016259895_100012706819 [0,1,0,0,0,0|2,0,0]=3 1722 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100016259895_100010712560 [0,1,0,0,0,0|2,0,0]=3 1723 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)F 271570a_100016259895_100000689017 [0,1,0,0,0,0|2,0,0]=3 1724 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)N 271570a_100016259895_100000695420 [0,1,0,0,0,0|2,0,0]=3 1725 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016259895_100000212127 [0,1,0,0,0,0|1,0,0]=2 1726 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)C 271570a_100016259895_100012257281 [0,1,0,0,0,0|3,0,0]=4 1727 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)F 271570a_100016259895_100000162119 [0,1,0,0,0,0|3,0,0]=4 1728 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)N 271570a_100016259895_100000740421 [0,1,0,0,0,0|3,0,0]=4 1729 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)O 271570a_100016259895_100000192807 [0,1,0,0,0,0|2,0,0]=3 1730 B13R1.387 CC=Cc1ccc(c(c1)C(C)C)F 271570a_100016259895_200053017515 [0,1,0,0,0,0|2,0,0]=3 1731 B13R1.387 CC=Cc1ccc(c(c1)C(C)C)N 271570a_100016259895_100000694223 [0,1,0,0,0,0|2,0,0]=3 1732 B13R1.387 CC=Cc1ccc(c(c1)C(C)C)O 271570a_100016259895_100000691460 [0,1,0,0,0,0|1,0,0]=2 1733 B13R1.387 CC=Cc1ccc(c(c1)C(C)O)F 271570a_100016259895_100011943926 [0,1,0,0,0,0|2,0,0]=3 1734 B13R1.387 CC=Cc1ccc(c(c1)C(F)F)F 271570a_100016259895_100010167061 [0,1,0,0,0,0|3,0,0]=4 1735 B13R1.387 CC=Cc1ccc(c(c1)N(C)C)F 271570a_100016259895_100010288836 [0,1,0,0,0,0|2,0,0]=3 1736 B13R1.387 CC=Cc1ccc(c(n1)C(=O)C)F 271570a_100016259895_100009887703 [0,1,0,0,0,0|3,0,0]=4 1737 B13R1.387 CC=Cc1cnc(c(c1)C(=O)C)C 271570a_100016259895_100138557192 [0,1,0,0,0,0|3,0,0]=4 1738 B13R1.387 CC=Cc1cnc(c(c1)C(=O)C)F 271570a_100016259895_100010254234 [0,1,0,0,0,0|3,0,0]=4 1739 B13R1.387 CC=Cc1cnc(c(c1)C(=O)C)N 271570a_100016259895_100010173950 [0,1,0,0,0,0|3,0,0]=4 1740 B13R1.387 CC=Cc1cnc(c(c1)N(C)C)N 271570a_100016259895_100020672572 [0,1,0,0,0,0|3,0,0]=4 1741 B13R1.387 CCOc1ccc(c(c1)C(=O)C)O 1458a_200011255221_200000210301 [0,1,0,0,0,0|2,0,1]=4 1742 B13R1.387 CCOc1ccc(c(c1)C(=O)[13CH3])O 1458a_200011255221_200025704644 [0,1,0,0,0,0|2,0,1]=4 1743 B13R1.387 CCSc1ccc(c(c1)C(C)C)O 62a_100000210202_100000691460 [0,1,0,0,0,0|2,0,1]=4 1744 B13R1.387 CCSc1ccc(c(c1)C(C)C)O 62a_100000691460_100000210202 [0,1,0,0,0,0|2,0,1]=4 1745 B13R1.575 C#CCNc1ccc(c(c1)OC)O 34a_100000726020_100000184674 [0,1,0,0,0,0|0,0,3]=4 1746 B13R1.575 C#CCSc1ccc(c(c1)OC)O 62a_100000038162_100000694246 [0,1,0,0,0,0|0,0,3]=4 1747 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210623 [0,1,0,0,0,0|1,0,2]=4 1748 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 34a_100000765947_100015514636 [0,1,0,0,0,0|1,0,2]=4 1749 B13R1.575 C=CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210623 [0,1,0,0,0,0|1,0,2]=4 1750 B13R1.575 C=CCNc1ccc(c(c1)OC)C 34a_100011279678_100015514636 [0,1,0,0,0,0|1,0,2]=4 1751 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210623 [0,1,0,0,0,0|1,0,2]=4 1752 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100015514636 [0,1,0,0,0,0|1,0,2]=4 1753 B13R1.575 C=CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210623 [0,1,0,0,0,0|1,0,2]=4 1754 B13R1.575 C=CCNc1ccc(c(c1)OC)F 34a_100000701188_100015514636 [0,1,0,0,0,0|1,0,2]=4 1755 B13R1.575 C=CCNc1ccc(c(c1)OC)I 34a_100000746945_100015514636 [0,1,0,0,0,0|1,0,2]=4 1756 B13R1.575 C=CCNc1ccc(c(c1)OC)O 34a_100000726020_100015514636 [0,1,0,0,0,0|0,0,2]=3 1757 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 34a_100011827694_100015514636 [0,1,0,0,0,0|1,0,2]=4 1758 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 7a_100011827694_100015514636 [0,1,0,0,0,0|1,0,2]=4 1759 B13R1.575 C=CCOc1ccc(c(c1)OC)C 34a_100009865632_100015514636 [0,1,0,0,0,0|1,0,2]=4 1760 B13R1.575 C=CCOc1ccc(c(c1)OC)C 7a_100009865632_100015514636 [0,1,0,0,0,0|1,0,2]=4 1761 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100015514636 [0,1,0,0,0,0|1,0,2]=4 1762 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100015514636 [0,1,0,0,0,0|1,0,2]=4 1763 B13R1.575 C=CCOc1ccc(c(c1)OC)F 34a_100012001760_100015514636 [0,1,0,0,0,0|1,0,2]=4 1764 B13R1.575 C=CCOc1ccc(c(c1)OC)F 7a_100012001760_100015514636 [0,1,0,0,0,0|1,0,2]=4 1765 B13R1.575 C=CCOc1ccc(c(c1)OC)N 34a_100015326901_100015514636 [0,1,0,0,0,0|1,0,2]=4 1766 B13R1.575 C=CCOc1ccc(c(c1)OC)N 7a_100015326901_100015514636 [0,1,0,0,0,0|1,0,2]=4 1767 B13R1.575 C=CCSc1ccc(c(c1)CC)O 62a_100000210623_100012338938 [0,1,0,0,0,0|1,0,2]=4 1768 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100000210623_100012353699 [0,1,0,0,0,0|1,0,2]=4 1769 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210623 [0,1,0,0,0,0|1,0,2]=4 1770 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100000210623_100011830276 [0,1,0,0,0,0|1,0,2]=4 1771 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210623 [0,1,0,0,0,0|1,0,2]=4 1772 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100000210623_100011356853 [0,1,0,0,0,0|1,0,2]=4 1773 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210623 [0,1,0,0,0,0|1,0,2]=4 1774 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100000210623_100011934186 [0,1,0,0,0,0|1,0,2]=4 1775 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210623 [0,1,0,0,0,0|1,0,2]=4 1776 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100000210623_100015196925 [0,1,0,0,0,0|1,0,2]=4 1777 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210623 [0,1,0,0,0,0|1,0,2]=4 1778 B13R1.575 C=CCSc1ccc(c(c1)OC)O 62a_100000210623_100000694246 [0,1,0,0,0,0|0,0,2]=3 1779 B13R1.575 C=CCSc1ccc(c(n1)OC)O 62a_100000210623_100010893133 [0,1,0,0,0,0|1,0,2]=4 1780 B13R1.575 CC=NNc1ccc(c(c1)OC)F 4a_102515433066_200000210099 [0,1,0,0,0,0|2,0,0]=3 1781 B13R1.575 CCCCc1ccc(c(c1)CC)O 271570a_100020621405_100012338938 [0,1,0,0,0,0|1,0,2]=4 1782 B13R1.575 CCCCc1ccc(c(c1)OC)Br 271570a_100020621405_100012353699 [0,1,0,0,0,0|1,0,2]=4 1783 B13R1.575 CCCCc1ccc(c(c1)OC)C 271570a_100020621405_100011830276 [0,1,0,0,0,0|1,0,2]=4 1784 B13R1.575 CCCCc1ccc(c(c1)OC)Cl 271570a_100020621405_100011356853 [0,1,0,0,0,0|1,0,2]=4 1785 B13R1.575 CCCCc1ccc(c(c1)OC)F 271570a_100020621405_100011934186 [0,1,0,0,0,0|1,0,2]=4 1786 B13R1.575 CCCCc1ccc(c(c1)OC)N 271570a_100020621405_100011279103 [0,1,0,0,0,0|1,0,2]=4 1787 B13R1.575 CCCCc1ccc(c(c1)OC)O 271570a_100020621405_100000694246 [0,1,0,0,0,0|0,0,2]=3 1788 B13R1.575 CCCCc1ccc(c(n1)OC)O 271570a_100020621405_100010893133 [0,1,0,0,0,0|1,0,2]=4 1789 B13R1.575 CCCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210303 [0,1,0,0,0,0|1,0,2]=4 1790 B13R1.575 CCCNc1ccc(c(c1)OC)Br 34a_100000765947_100000210303 [0,1,0,0,0,0|1,0,2]=4 1791 B13R1.575 CCCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210303 [0,1,0,0,0,0|1,0,2]=4 1792 B13R1.575 CCCNc1ccc(c(c1)OC)C 34a_100011279678_100000210303 [0,1,0,0,0,0|1,0,2]=4 1793 B13R1.575 CCCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210303 [0,1,0,0,0,0|1,0,2]=4 1794 B13R1.575 CCCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000210303 [0,1,0,0,0,0|1,0,2]=4 1795 B13R1.575 CCCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210303 [0,1,0,0,0,0|1,0,2]=4 1796 B13R1.575 CCCNc1ccc(c(c1)OC)F 34a_100000701188_100000210303 [0,1,0,0,0,0|1,0,2]=4 1797 B13R1.575 CCCNc1ccc(c(c1)OC)I 34a_100000746945_100000210303 [0,1,0,0,0,0|1,0,2]=4 1798 B13R1.575 CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000210303 [0,1,0,0,0,0|0,0,2]=3 1799 B13R1.575 CCCOc1ccc(c(c1)OC)Br 34a_100011827694_100000210303 [0,1,0,0,0,0|1,0,2]=4 1800 B13R1.575 CCCOc1ccc(c(c1)OC)Br 7a_100011827694_100000210303 [0,1,0,0,0,0|1,0,2]=4 1801 B13R1.575 CCCOc1ccc(c(c1)OC)C 34a_100009865632_100000210303 [0,1,0,0,0,0|1,0,2]=4 1802 B13R1.575 CCCOc1ccc(c(c1)OC)C 7a_100009865632_100000210303 [0,1,0,0,0,0|1,0,2]=4 1803 B13R1.575 CCCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000210303 [0,1,0,0,0,0|1,0,2]=4 1804 B13R1.575 CCCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000210303 [0,1,0,0,0,0|1,0,2]=4 1805 B13R1.575 CCCOc1ccc(c(c1)OC)F 34a_100012001760_100000210303 [0,1,0,0,0,0|1,0,2]=4 1806 B13R1.575 CCCOc1ccc(c(c1)OC)F 7a_100012001760_100000210303 [0,1,0,0,0,0|1,0,2]=4 1807 B13R1.575 CCCOc1ccc(c(c1)OC)N 34a_100015326901_100000210303 [0,1,0,0,0,0|1,0,2]=4 1808 B13R1.575 CCCOc1ccc(c(c1)OC)N 7a_100015326901_100000210303 [0,1,0,0,0,0|1,0,2]=4 1809 B13R1.575 CCCSc1ccc(c(c1)CC)O 62a_100000210303_100012338938 [0,1,0,0,0,0|1,0,2]=4 1810 B13R1.575 CCCSc1ccc(c(c1)OC)Br 62a_100000210303_100012353699 [0,1,0,0,0,0|1,0,2]=4 1811 B13R1.575 CCCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210303 [0,1,0,0,0,0|1,0,2]=4 1812 B13R1.575 CCCSc1ccc(c(c1)OC)C 62a_100000210303_100011830276 [0,1,0,0,0,0|1,0,2]=4 1813 B13R1.575 CCCSc1ccc(c(c1)OC)C 62a_100011830276_100000210303 [0,1,0,0,0,0|1,0,2]=4 1814 B13R1.575 CCCSc1ccc(c(c1)OC)Cl 62a_100000210303_100011356853 [0,1,0,0,0,0|1,0,2]=4 1815 B13R1.575 CCCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210303 [0,1,0,0,0,0|1,0,2]=4 1816 B13R1.575 CCCSc1ccc(c(c1)OC)F 62a_100000210303_100011934186 [0,1,0,0,0,0|1,0,2]=4 1817 B13R1.575 CCCSc1ccc(c(c1)OC)F 62a_100011934186_100000210303 [0,1,0,0,0,0|1,0,2]=4 1818 B13R1.575 CCCSc1ccc(c(c1)OC)N 62a_100000210303_100015196925 [0,1,0,0,0,0|1,0,2]=4 1819 B13R1.575 CCCSc1ccc(c(c1)OC)N 62a_100011279103_100000210303 [0,1,0,0,0,0|1,0,2]=4 1820 B13R1.575 CCCSc1ccc(c(c1)OC)O 62a_100000210303_100000694246 [0,1,0,0,0,0|0,0,2]=3 1821 B13R1.575 CCCSc1ccc(c(n1)OC)O 62a_100000210303_100010893133 [0,1,0,0,0,0|1,0,2]=4 1822 B13R1.575 CCNCc1ccc(c(c1)OC)Br 207a_100015525214_100010244714 [0,1,0,0,0,0|1,0,2]=4 1823 B13R1.575 CCNCc1ccc(c(c1)OC)Br 2230a_100015525214_100010110085 [0,1,0,0,0,0|1,0,2]=4 1824 B13R1.575 CCNCc1ccc(c(c1)OC)Br 270004a_100015525214_100010244714 [0,1,0,0,0,0|1,0,2]=4 1825 B13R1.575 CCNCc1ccc(c(c1)OC)C 207a_100015525214_100000719150 [0,1,0,0,0,0|1,0,2]=4 1826 B13R1.575 CCNCc1ccc(c(c1)OC)C 270004a_100015525214_100000719150 [0,1,0,0,0,0|1,0,2]=4 1827 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 207a_100015525214_100011998524 [0,1,0,0,0,0|1,0,2]=4 1828 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 2230a_100015204853_100000210202 [0,1,0,0,0,0|1,0,2]=4 1829 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 2230a_100015525214_200010214485 [0,1,0,0,0,0|1,0,2]=4 1830 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 270004a_100015525214_100011998524 [0,1,0,0,0,0|1,0,2]=4 1831 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 34a_100015204853_100000210202 [0,1,0,0,0,0|1,0,2]=4 1832 B13R1.575 CCNCc1ccc(c(c1)OC)F 207a_100015525214_100000692873 [0,1,0,0,0,0|1,0,2]=4 1833 B13R1.575 CCNCc1ccc(c(c1)OC)F 2230a_100015525214_100012349856 [0,1,0,0,0,0|1,0,2]=4 1834 B13R1.575 CCNCc1ccc(c(c1)OC)F 2230a_100020626639_100000210202 [0,1,0,0,0,0|1,0,2]=4 1835 B13R1.575 CCNCc1ccc(c(c1)OC)F 270004a_100015525214_100000692873 [0,1,0,0,0,0|1,0,2]=4 1836 B13R1.575 CCNCc1ccc(c(c1)OC)F 34a_100020626639_100000210202 [0,1,0,0,0,0|1,0,2]=4 1837 B13R1.575 CCNCc1ccc(c(c1)OC)O 34a_100000185554_100000210202 [0,1,0,0,0,0|0,0,2]=3 1838 B13R1.575 CCOCc1ccc(c(c1)OC)Br 34a_100010234685_100000210202 [0,1,0,0,0,0|1,0,2]=4 1839 B13R1.575 CCOCc1ccc(c(c1)OC)Br 34a_100121572206_100010110085 [0,1,0,0,0,0|1,0,2]=4 1840 B13R1.575 CCOCc1ccc(c(c1)OC)Br 7a_100010234685_100000210202 [0,1,0,0,0,0|1,0,2]=4 1841 B13R1.575 CCOCc1ccc(c(c1)OC)C 34a_100000752651_100000210202 [0,1,0,0,0,0|1,0,2]=4 1842 B13R1.575 CCOCc1ccc(c(c1)OC)C 7a_100000752651_100000210202 [0,1,0,0,0,0|1,0,2]=4 1843 B13R1.575 CCOCc1ccc(c(c1)OC)Cl 34a_100012179228_100000210202 [0,1,0,0,0,0|1,0,2]=4 1844 B13R1.575 CCOCc1ccc(c(c1)OC)Cl 34a_100121572206_200010214485 [0,1,0,0,0,0|1,0,2]=4 1845 B13R1.575 CCOCc1ccc(c(c1)OC)F 34a_100000692429_100000210202 [0,1,0,0,0,0|1,0,2]=4 1846 B13R1.575 CCOCc1ccc(c(c1)OC)F 34a_100121572206_100012349856 [0,1,0,0,0,0|1,0,2]=4 1847 B13R1.575 CCOCc1ccc(c(c1)OC)F 7a_100000692429_100000210202 [0,1,0,0,0,0|1,0,2]=4 1848 B13R1.575 CCOCc1ccc(c(c1)OC)N 34a_100000087641_100000210202 [0,1,0,0,0,0|1,0,2]=4 1849 B13R1.575 CCSCc1ccc(c(c1)OC)Br 62a_100000210202_100010110085 [0,1,0,0,0,0|1,0,2]=4 1850 B13R1.575 CCSCc1ccc(c(c1)OC)Br 62a_100010110085_100000210202 [0,1,0,0,0,0|1,0,2]=4 1851 B13R1.575 CCSCc1ccc(c(c1)OC)Cl 62a_100000210202_200010214485 [0,1,0,0,0,0|1,0,2]=4 1852 B13R1.575 CCSCc1ccc(c(c1)OC)Cl 62a_200010214485_100000210202 [0,1,0,0,0,0|1,0,2]=4 1853 B13R1.575 CCSCc1ccc(c(c1)OC)F 62a_100000210202_100012349856 [0,1,0,0,0,0|1,0,2]=4 1854 B13R1.575 CCSCc1ccc(c(c1)OC)F 62a_100012349856_100000210202 [0,1,0,0,0,0|1,0,2]=4 1855 B13R1.575 CCc1cc(ccc1O)SCC=O 62a_200015260668_100012338938 [0,1,0,0,0,0|2,0,1]=4 1856 B13R1.575 CCc1cc(ccc1O)SCCF 62a_100011217306_100012338938 [0,1,0,0,0,0|2,0,1]=4 1857 B13R1.575 CCc1cc(ccc1O)SCCO 62a_100000211926_100012338938 [0,1,0,0,0,0|2,0,1]=4 1858 B13R1.575 CCc1cc(ccc1O)SCOC 62a_100000766300_100012338938 [0,1,0,0,0,0|2,0,1]=4 1859 B13R1.575 CCc1cc(ccc1O)SCSC 62a_100011218213_100012338938 [0,1,0,0,0,0|2,0,1]=4 1860 B13R1.575 CNCCc1ccc(c(c1)OC)O 2230a_106832991635_100010741665 [0,1,0,0,0,0|0,0,2]=3 1861 B13R1.575 CNCCc1ccc(c(c1)OC)O 34a_100000756042_200000210301 [0,1,0,0,0,0|0,0,2]=3 1862 B13R1.575 CNCCc1ccc(c(c1)OC)O 7a_106832991635_100010741665 [0,1,0,0,0,0|0,0,2]=3 1863 B13R1.575 COCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000766300 [0,1,0,0,0,0|2,0,1]=4 1864 B13R1.575 COCNc1ccc(c(c1)OC)C 2230a_100011279678_100000766300 [0,1,0,0,0,0|2,0,1]=4 1865 B13R1.575 COCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000766300 [0,1,0,0,0,0|2,0,1]=4 1866 B13R1.575 COCNc1ccc(c(c1)OC)F 2230a_100000701188_100000766300 [0,1,0,0,0,0|2,0,1]=4 1867 B13R1.575 COCSc1ccc(c(c1)OC)Br 62a_100000766300_100012353699 [0,1,0,0,0,0|2,0,1]=4 1868 B13R1.575 COCSc1ccc(c(c1)OC)Br 62a_100012353699_100000766300 [0,1,0,0,0,0|2,0,1]=4 1869 B13R1.575 COCSc1ccc(c(c1)OC)C 62a_100000766300_100011830276 [0,1,0,0,0,0|2,0,1]=4 1870 B13R1.575 COCSc1ccc(c(c1)OC)C 62a_100011830276_100000766300 [0,1,0,0,0,0|2,0,1]=4 1871 B13R1.575 COCSc1ccc(c(c1)OC)Cl 62a_100000766300_100011356853 [0,1,0,0,0,0|2,0,1]=4 1872 B13R1.575 COCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000766300 [0,1,0,0,0,0|2,0,1]=4 1873 B13R1.575 COCSc1ccc(c(c1)OC)F 62a_100000766300_100011934186 [0,1,0,0,0,0|2,0,1]=4 1874 B13R1.575 COCSc1ccc(c(c1)OC)F 62a_100011934186_100000766300 [0,1,0,0,0,0|2,0,1]=4 1875 B13R1.575 COCSc1ccc(c(c1)OC)N 62a_100000766300_100015196925 [0,1,0,0,0,0|2,0,1]=4 1876 B13R1.575 COCSc1ccc(c(c1)OC)N 62a_100011279103_100000766300 [0,1,0,0,0,0|2,0,1]=4 1877 B13R1.575 COCSc1ccc(c(c1)OC)O 62a_100000766300_100000694246 [0,1,0,0,0,0|1,0,1]=3 1878 B13R1.575 COCSc1ccc(c(n1)OC)O 62a_100000766300_100010893133 [0,1,0,0,0,0|2,0,1]=4 1879 B13R1.575 COc1cc(ccc1Br)COCF 34a_100010234685_100015361967 [0,1,0,0,0,0|2,0,1]=4 1880 B13R1.575 COc1cc(ccc1Br)COCF 7a_100010234685_100015361967 [0,1,0,0,0,0|2,0,1]=4 1881 B13R1.575 COc1cc(ccc1Br)CSCF 62a_100010110085_100015361967 [0,1,0,0,0,0|2,0,1]=4 1882 B13R1.575 COc1cc(ccc1Br)CSCF 62a_100015361967_100010110085 [0,1,0,0,0,0|2,0,1]=4 1883 B13R1.575 COc1cc(ccc1Br)NCC=O 2230a_100000765947_200015260668 [0,1,0,0,0,0|2,0,1]=4 1884 B13R1.575 COc1cc(ccc1Br)NCC=O 34a_100000765947_200009817547 [0,1,0,0,0,0|2,0,1]=4 1885 B13R1.575 COc1cc(ccc1Br)NCCF 2230a_100000765947_100011217306 [0,1,0,0,0,0|2,0,1]=4 1886 B13R1.575 COc1cc(ccc1Br)NCCF 34a_100000765947_100011217306 [0,1,0,0,0,0|2,0,1]=4 1887 B13R1.575 COc1cc(ccc1Br)NCCO 2230a_100000765947_100000211926 [0,1,0,0,0,0|2,0,1]=4 1888 B13R1.575 COc1cc(ccc1Br)NCCO 34a_100000765947_100000211926 [0,1,0,0,0,0|2,0,1]=4 1889 B13R1.575 COc1cc(ccc1Br)NCSC 2230a_100000765947_100011218213 [0,1,0,0,0,0|2,0,1]=4 1890 B13R1.575 COc1cc(ccc1Br)NCSC 34a_100000765947_100011218213 [0,1,0,0,0,0|2,0,1]=4 1891 B13R1.575 COc1cc(ccc1Br)OCC=O 34a_100011827694_200009817547 [0,1,0,0,0,0|2,0,1]=4 1892 B13R1.575 COc1cc(ccc1Br)OCC=O 7a_100011827694_200015260668 [0,1,0,0,0,0|2,0,1]=4 1893 B13R1.575 COc1cc(ccc1Br)OCCF 34a_100011827694_100011217306 [0,1,0,0,0,0|2,0,1]=4 1894 B13R1.575 COc1cc(ccc1Br)OCCF 7a_100011827694_100011217306 [0,1,0,0,0,0|2,0,1]=4 1895 B13R1.575 COc1cc(ccc1Br)OCCO 34a_100011827694_100000211926 [0,1,0,0,0,0|2,0,1]=4 1896 B13R1.575 COc1cc(ccc1Br)OCCO 7a_100011827694_100000211926 [0,1,0,0,0,0|2,0,1]=4 1897 B13R1.575 COc1cc(ccc1Br)OCSC 34a_100011827694_100011218213 [0,1,0,0,0,0|2,0,1]=4 1898 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_100012353699_200015260668 [0,1,0,0,0,0|2,0,1]=4 1899 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_200015260668_100012353699 [0,1,0,0,0,0|2,0,1]=4 1900 B13R1.575 COc1cc(ccc1Br)SCCF 62a_100011217306_100012353699 [0,1,0,0,0,0|2,0,1]=4 1901 B13R1.575 COc1cc(ccc1Br)SCCF 62a_100012353699_100011217306 [0,1,0,0,0,0|2,0,1]=4 1902 B13R1.575 COc1cc(ccc1Br)SCCO 62a_100000211926_100012353699 [0,1,0,0,0,0|2,0,1]=4 1903 B13R1.575 COc1cc(ccc1Br)SCCO 62a_100012353699_100000211926 [0,1,0,0,0,0|2,0,1]=4 1904 B13R1.575 COc1cc(ccc1Br)SCSC 62a_100011218213_100012353699 [0,1,0,0,0,0|2,0,1]=4 1905 B13R1.575 COc1cc(ccc1Br)SCSC 62a_100012353699_100011218213 [0,1,0,0,0,0|2,0,1]=4 1906 B13R1.575 COc1cc(ccc1C)COCF 34a_100000752651_100015361967 [0,1,0,0,0,0|2,0,1]=4 1907 B13R1.575 COc1cc(ccc1C)COCF 7a_100000752651_100015361967 [0,1,0,0,0,0|2,0,1]=4 1908 B13R1.575 COc1cc(ccc1C)NCC=O 2230a_100011279678_200015260668 [0,1,0,0,0,0|2,0,1]=4 1909 B13R1.575 COc1cc(ccc1C)NCC=O 34a_100011279678_200009817547 [0,1,0,0,0,0|2,0,1]=4 1910 B13R1.575 COc1cc(ccc1C)NCCF 2230a_100011279678_100011217306 [0,1,0,0,0,0|2,0,1]=4 1911 B13R1.575 COc1cc(ccc1C)NCCF 34a_100011279678_100011217306 [0,1,0,0,0,0|2,0,1]=4 1912 B13R1.575 COc1cc(ccc1C)NCCO 2230a_100011279678_100000211926 [0,1,0,0,0,0|2,0,1]=4 1913 B13R1.575 COc1cc(ccc1C)NCCO 34a_100000057592_200000210301 [0,1,0,0,0,0|2,0,1]=4 1914 B13R1.575 COc1cc(ccc1C)NCCO 34a_100011279678_100000211926 [0,1,0,0,0,0|2,0,1]=4 1915 B13R1.575 COc1cc(ccc1C)NCCO 7a_100000057592_200000210301 [0,1,0,0,0,0|2,0,1]=4 1916 B13R1.575 COc1cc(ccc1C)NCSC 2230a_100011279678_100011218213 [0,1,0,0,0,0|2,0,1]=4 1917 B13R1.575 COc1cc(ccc1C)NCSC 34a_100011279678_100011218213 [0,1,0,0,0,0|2,0,1]=4 1918 B13R1.575 COc1cc(ccc1C)OCC=O 34a_100009865632_200009817547 [0,1,0,0,0,0|2,0,1]=4 1919 B13R1.575 COc1cc(ccc1C)OCC=O 7a_100009865632_200015260668 [0,1,0,0,0,0|2,0,1]=4 1920 B13R1.575 COc1cc(ccc1C)OCCF 34a_100009865632_100011217306 [0,1,0,0,0,0|2,0,1]=4 1921 B13R1.575 COc1cc(ccc1C)OCCF 7a_100009865632_100011217306 [0,1,0,0,0,0|2,0,1]=4 1922 B13R1.575 COc1cc(ccc1C)OCCO 34a_100009865632_100000211926 [0,1,0,0,0,0|2,0,1]=4 1923 B13R1.575 COc1cc(ccc1C)OCCO 7a_100009865632_100000211926 [0,1,0,0,0,0|2,0,1]=4 1924 B13R1.575 COc1cc(ccc1C)OCSC 34a_100009865632_100011218213 [0,1,0,0,0,0|2,0,1]=4 1925 B13R1.575 COc1cc(ccc1C)SCC=O 62a_100011830276_200015260668 [0,1,0,0,0,0|2,0,1]=4 1926 B13R1.575 COc1cc(ccc1C)SCC=O 62a_200015260668_100011830276 [0,1,0,0,0,0|2,0,1]=4 1927 B13R1.575 COc1cc(ccc1C)SCCF 62a_100011217306_100011830276 [0,1,0,0,0,0|2,0,1]=4 1928 B13R1.575 COc1cc(ccc1C)SCCF 62a_100011830276_100011217306 [0,1,0,0,0,0|2,0,1]=4 1929 B13R1.575 COc1cc(ccc1C)SCCO 62a_100000211926_100011830276 [0,1,0,0,0,0|2,0,1]=4 1930 B13R1.575 COc1cc(ccc1C)SCCO 62a_100011830276_100000211926 [0,1,0,0,0,0|2,0,1]=4 1931 B13R1.575 COc1cc(ccc1C)SCSC 62a_100011218213_100011830276 [0,1,0,0,0,0|2,0,1]=4 1932 B13R1.575 COc1cc(ccc1C)SCSC 62a_100011830276_100011218213 [0,1,0,0,0,0|2,0,1]=4 1933 B13R1.575 COc1cc(ccc1Cl)CNCF 34a_100015204853_100015361967 [0,1,0,0,0,0|2,0,1]=4 1934 B13R1.575 COc1cc(ccc1Cl)COCF 34a_100012179228_100015361967 [0,1,0,0,0,0|2,0,1]=4 1935 B13R1.575 COc1cc(ccc1Cl)CSCF 62a_100015361967_200010214485 [0,1,0,0,0,0|2,0,1]=4 1936 B13R1.575 COc1cc(ccc1Cl)CSCF 62a_200010214485_100015361967 [0,1,0,0,0,0|2,0,1]=4 1937 B13R1.575 COc1cc(ccc1Cl)NCC=O 2230a_100000742311_200015260668 [0,1,0,0,0,0|2,0,1]=4 1938 B13R1.575 COc1cc(ccc1Cl)NCC=O 34a_100000742311_200009817547 [0,1,0,0,0,0|2,0,1]=4 1939 B13R1.575 COc1cc(ccc1Cl)NCCF 2230a_100000742311_100011217306 [0,1,0,0,0,0|2,0,1]=4 1940 B13R1.575 COc1cc(ccc1Cl)NCCF 34a_100000742311_100011217306 [0,1,0,0,0,0|2,0,1]=4 1941 B13R1.575 COc1cc(ccc1Cl)NCCO 2230a_100000742311_100000211926 [0,1,0,0,0,0|2,0,1]=4 1942 B13R1.575 COc1cc(ccc1Cl)NCCO 34a_100000742311_100000211926 [0,1,0,0,0,0|2,0,1]=4 1943 B13R1.575 COc1cc(ccc1Cl)NCSC 2230a_100000742311_100011218213 [0,1,0,0,0,0|2,0,1]=4 1944 B13R1.575 COc1cc(ccc1Cl)NCSC 34a_100000742311_100011218213 [0,1,0,0,0,0|2,0,1]=4 1945 B13R1.575 COc1cc(ccc1Cl)OCC=O 34a_100012186310_200009817547 [0,1,0,0,0,0|2,0,1]=4 1946 B13R1.575 COc1cc(ccc1Cl)OCC=O 7a_100012186310_200015260668 [0,1,0,0,0,0|2,0,1]=4 1947 B13R1.575 COc1cc(ccc1Cl)OCCF 34a_100012186310_100011217306 [0,1,0,0,0,0|2,0,1]=4 1948 B13R1.575 COc1cc(ccc1Cl)OCCF 7a_100012186310_100011217306 [0,1,0,0,0,0|2,0,1]=4 1949 B13R1.575 COc1cc(ccc1Cl)OCCO 34a_100012186310_100000211926 [0,1,0,0,0,0|2,0,1]=4 1950 B13R1.575 COc1cc(ccc1Cl)OCCO 7a_100012186310_100000211926 [0,1,0,0,0,0|2,0,1]=4 1951 B13R1.575 COc1cc(ccc1Cl)OCSC 34a_100012186310_100011218213 [0,1,0,0,0,0|2,0,1]=4 1952 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_100011356853_200015260668 [0,1,0,0,0,0|2,0,1]=4 1953 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_200015260668_100011356853 [0,1,0,0,0,0|2,0,1]=4 1954 B13R1.575 COc1cc(ccc1Cl)SCCF 62a_100011217306_100011356853 [0,1,0,0,0,0|2,0,1]=4 1955 B13R1.575 COc1cc(ccc1Cl)SCCF 62a_100011356853_100011217306 [0,1,0,0,0,0|2,0,1]=4 1956 B13R1.575 COc1cc(ccc1Cl)SCCO 62a_100000211926_100011356853 [0,1,0,0,0,0|2,0,1]=4 1957 B13R1.575 COc1cc(ccc1Cl)SCCO 62a_100011356853_100000211926 [0,1,0,0,0,0|2,0,1]=4 1958 B13R1.575 COc1cc(ccc1Cl)SCSC 62a_100011218213_100011356853 [0,1,0,0,0,0|2,0,1]=4 1959 B13R1.575 COc1cc(ccc1Cl)SCSC 62a_100011356853_100011218213 [0,1,0,0,0,0|2,0,1]=4 1960 B13R1.575 COc1cc(ccc1F)CNCF 34a_100020626639_100015361967 [0,1,0,0,0,0|2,0,1]=4 1961 B13R1.575 COc1cc(ccc1F)COCF 34a_100000692429_100015361967 [0,1,0,0,0,0|2,0,1]=4 1962 B13R1.575 COc1cc(ccc1F)COCF 7a_100000692429_100015361967 [0,1,0,0,0,0|2,0,1]=4 1963 B13R1.575 COc1cc(ccc1F)CSCF 62a_100012349856_100015361967 [0,1,0,0,0,0|2,0,1]=4 1964 B13R1.575 COc1cc(ccc1F)CSCF 62a_100015361967_100012349856 [0,1,0,0,0,0|2,0,1]=4 1965 B13R1.575 COc1cc(ccc1F)NCC=O 2230a_100000701188_200015260668 [0,1,0,0,0,0|2,0,1]=4 1966 B13R1.575 COc1cc(ccc1F)NCC=O 34a_100000701188_200009817547 [0,1,0,0,0,0|2,0,1]=4 1967 B13R1.575 COc1cc(ccc1F)NCCF 2230a_100000701188_100011217306 [0,1,0,0,0,0|2,0,1]=4 1968 B13R1.575 COc1cc(ccc1F)NCCF 34a_100000701188_100011217306 [0,1,0,0,0,0|2,0,1]=4 1969 B13R1.575 COc1cc(ccc1F)NCCO 2230a_100000701188_100000211926 [0,1,0,0,0,0|2,0,1]=4 1970 B13R1.575 COc1cc(ccc1F)NCCO 34a_100000701188_100000211926 [0,1,0,0,0,0|2,0,1]=4 1971 B13R1.575 COc1cc(ccc1F)NCSC 2230a_100000701188_100011218213 [0,1,0,0,0,0|2,0,1]=4 1972 B13R1.575 COc1cc(ccc1F)NCSC 34a_100000701188_100011218213 [0,1,0,0,0,0|2,0,1]=4 1973 B13R1.575 COc1cc(ccc1F)OCC=O 34a_100012001760_200009817547 [0,1,0,0,0,0|2,0,1]=4 1974 B13R1.575 COc1cc(ccc1F)OCC=O 7a_100012001760_200015260668 [0,1,0,0,0,0|2,0,1]=4 1975 B13R1.575 COc1cc(ccc1F)OCCF 34a_100012001760_100011217306 [0,1,0,0,0,0|2,0,1]=4 1976 B13R1.575 COc1cc(ccc1F)OCCF 7a_100012001760_100011217306 [0,1,0,0,0,0|2,0,1]=4 1977 B13R1.575 COc1cc(ccc1F)OCCO 34a_100012001760_100000211926 [0,1,0,0,0,0|2,0,1]=4 1978 B13R1.575 COc1cc(ccc1F)OCCO 7a_100012001760_100000211926 [0,1,0,0,0,0|2,0,1]=4 1979 B13R1.575 COc1cc(ccc1F)OCSC 34a_100012001760_100011218213 [0,1,0,0,0,0|2,0,1]=4 1980 B13R1.575 COc1cc(ccc1F)SCC=O 62a_100011934186_200015260668 [0,1,0,0,0,0|2,0,1]=4 1981 B13R1.575 COc1cc(ccc1F)SCC=O 62a_200015260668_100011934186 [0,1,0,0,0,0|2,0,1]=4 1982 B13R1.575 COc1cc(ccc1F)SCCF 62a_100011217306_100011934186 [0,1,0,0,0,0|2,0,1]=4 1983 B13R1.575 COc1cc(ccc1F)SCCF 62a_100011934186_100011217306 [0,1,0,0,0,0|2,0,1]=4 1984 B13R1.575 COc1cc(ccc1F)SCCO 62a_100000211926_100011934186 [0,1,0,0,0,0|2,0,1]=4 1985 B13R1.575 COc1cc(ccc1F)SCCO 62a_100011934186_100000211926 [0,1,0,0,0,0|2,0,1]=4 1986 B13R1.575 COc1cc(ccc1F)SCSC 62a_100011218213_100011934186 [0,1,0,0,0,0|2,0,1]=4 1987 B13R1.575 COc1cc(ccc1F)SCSC 62a_100011934186_100011218213 [0,1,0,0,0,0|2,0,1]=4 1988 B13R1.575 COc1cc(ccc1I)NCC=O 34a_100000746945_200009817547 [0,1,0,0,0,0|2,0,1]=4 1989 B13R1.575 COc1cc(ccc1I)NCCF 34a_100000746945_100011217306 [0,1,0,0,0,0|2,0,1]=4 1990 B13R1.575 COc1cc(ccc1I)NCCO 34a_100000746945_100000211926 [0,1,0,0,0,0|2,0,1]=4 1991 B13R1.575 COc1cc(ccc1I)NCSC 34a_100000746945_100011218213 [0,1,0,0,0,0|2,0,1]=4 1992 B13R1.575 COc1cc(ccc1N)COCF 34a_100000087641_100015361967 [0,1,0,0,0,0|2,0,1]=4 1993 B13R1.575 COc1cc(ccc1N)OCC=O 34a_100015326901_200009817547 [0,1,0,0,0,0|2,0,1]=4 1994 B13R1.575 COc1cc(ccc1N)OCC=O 7a_100015326901_200015260668 [0,1,0,0,0,0|2,0,1]=4 1995 B13R1.575 COc1cc(ccc1N)OCCF 34a_100015326901_100011217306 [0,1,0,0,0,0|2,0,1]=4 1996 B13R1.575 COc1cc(ccc1N)OCCF 7a_100015326901_100011217306 [0,1,0,0,0,0|2,0,1]=4 1997 B13R1.575 COc1cc(ccc1N)OCCO 34a_100015326901_100000211926 [0,1,0,0,0,0|2,0,1]=4 1998 B13R1.575 COc1cc(ccc1N)OCCO 7a_100015326901_100000211926 [0,1,0,0,0,0|2,0,1]=4 1999 B13R1.575 COc1cc(ccc1N)OCSC 34a_100015326901_100011218213 [0,1,0,0,0,0|2,0,1]=4 2000 B13R1.575 COc1cc(ccc1N)SCC=O 62a_100011279103_200015260668 [0,1,0,0,0,0|2,0,1]=4 2001 B13R1.575 COc1cc(ccc1N)SCC=O 62a_200015260668_100015196925 [0,1,0,0,0,0|2,0,1]=4 2002 B13R1.575 COc1cc(ccc1N)SCCF 62a_100011217306_100015196925 [0,1,0,0,0,0|2,0,1]=4 2003 B13R1.575 COc1cc(ccc1N)SCCF 62a_100011279103_100011217306 [0,1,0,0,0,0|2,0,1]=4 2004 B13R1.575 COc1cc(ccc1N)SCCO 62a_100000211926_100015196925 [0,1,0,0,0,0|2,0,1]=4 2005 B13R1.575 COc1cc(ccc1N)SCCO 62a_100011279103_100000211926 [0,1,0,0,0,0|2,0,1]=4 2006 B13R1.575 COc1cc(ccc1N)SCSC 62a_100011218213_100015196925 [0,1,0,0,0,0|2,0,1]=4 2007 B13R1.575 COc1cc(ccc1N)SCSC 62a_100011279103_100011218213 [0,1,0,0,0,0|2,0,1]=4 2008 B13R1.575 COc1cc(ccc1O)CCN[13CH3] 34a_100000756042_200025704644 [0,1,0,0,0,0|0,0,2]=3 2009 B13R1.575 COc1cc(ccc1O)CCSC 62a_200000210301_100010741665 [0,1,0,0,0,0|0,0,2]=3 2010 B13R1.575 COc1cc(ccc1O)CCS[13CH3] 62a_200025704644_100010741665 [0,1,0,0,0,0|0,0,2]=3 2011 B13R1.575 COc1cc(ccc1O)CNCF 34a_100000185554_100015361967 [0,1,0,0,0,0|1,0,1]=3 2012 B13R1.575 COc1cc(ccc1O)NCC=O 34a_100000726020_200009817547 [0,1,0,0,0,0|1,0,1]=3 2013 B13R1.575 COc1cc(ccc1O)NCCF 34a_100000726020_100011217306 [0,1,0,0,0,0|1,0,1]=3 2014 B13R1.575 COc1cc(ccc1O)NCCO 34a_100000726020_100000211926 [0,1,0,0,0,0|1,0,1]=3 2015 B13R1.575 COc1cc(ccc1O)NCSC 34a_100000726020_100011218213 [0,1,0,0,0,0|1,0,1]=3 2016 B13R1.575 COc1cc(ccc1O)SCC#N 62a_100011215382_100000694246 [0,1,0,0,0,0|1,0,2]=4 2017 B13R1.575 COc1cc(ccc1O)SCC=O 62a_200015260668_100000694246 [0,1,0,0,0,0|1,0,1]=3 2018 B13R1.575 COc1cc(ccc1O)SCCF 62a_100011217306_100000694246 [0,1,0,0,0,0|1,0,1]=3 2019 B13R1.575 COc1cc(ccc1O)SCCO 62a_100000211926_100000694246 [0,1,0,0,0,0|1,0,1]=3 2020 B13R1.575 COc1cc(ccc1O)SCSC 62a_100011218213_100000694246 [0,1,0,0,0,0|1,0,1]=3 2021 B13R1.575 COc1nc(ccc1O)SCC=O 62a_200015260668_100010893133 [0,1,0,0,0,0|2,0,1]=4 2022 B13R1.575 COc1nc(ccc1O)SCCF 62a_100011217306_100010893133 [0,1,0,0,0,0|2,0,1]=4 2023 B13R1.575 COc1nc(ccc1O)SCCO 62a_100000211926_100010893133 [0,1,0,0,0,0|2,0,1]=4 2024 B13R1.575 COc1nc(ccc1O)SCSC 62a_100011218213_100010893133 [0,1,0,0,0,0|2,0,1]=4 2025 B13R1.575 Cc1ccc(cc1O[13CH3])NCCO 34a_100000057592_200025704644 [0,1,0,0,0,0|2,0,1]=4 2026 B13R1.575 Cc1ccc(cc1O[13CH3])NCCO 7a_100000057592_200025704644 [0,1,0,0,0,0|2,0,1]=4 2027 B13R1.1255 C=C=Cc1ccc(c(c1F)OC)Cl 271570a_100015277604_200135222481 [0,1,0,0,0,0|1,0,2]=4 2028 B13R1.1255 C=C=Cc1ccc(c(c1F)OC)N 271570a_100015277604_100010734149 [0,1,0,0,0,0|1,0,2]=4 2029 B13R1.1255 CC=Cc1ccc(c(c1F)C#N)C 271570a_100016259895_100015641138 [0,1,0,0,0,0|3,0,0]=4 2030 B13R1.1255 CC=Cc1ccc(c(c1F)C#N)F 271570a_100016259895_100000062002 [0,1,0,0,0,0|3,0,0]=4 2031 B13R1.1255 CC=Cc1ccc(c(c1F)C#N)N 271570a_100016259895_100010169826 [0,1,0,0,0,0|3,0,0]=4 2032 B13R1.1255 CC=Cc1ccc(c(c1F)C=O)Br 271570a_100016259895_100010769263 [0,1,0,0,0,0|3,0,0]=4 2033 B13R1.1255 CC=Cc1ccc(c(c1F)C=O)Cl 271570a_100016259895_100010782290 [0,1,0,0,0,0|3,0,0]=4 2034 B13R1.1255 CC=Cc1ccc(c(c1F)C=O)F 271570a_100016259895_100000725362 [0,1,0,0,0,0|3,0,0]=4 2035 B13R1.1255 CC=Cc1ccc(c(c1F)CO)Br 271570a_100016259895_200010782277 [0,1,0,0,0,0|3,0,0]=4 2036 B13R1.1255 CC=Cc1ccc(c(c1F)CO)F 271570a_100016259895_100000725363 [0,1,0,0,0,0|3,0,0]=4 2037 B13R1.1255 CC=Cc1ccc(c(c1F)OC)Cl 271570a_100016259895_200135222481 [0,1,0,0,0,0|1,0,0]=2 2038 B13R1.1255 CC=Cc1ccc(c(c1F)OC)N 271570a_100016259895_100010734149 [0,1,0,0,0,0|1,0,0]=2 2039 B13R1.1255 CC=Cc1ccc(c(c1F)SC)F 271570a_100016259895_202125771753 [0,1,0,0,0,0|1,1,0]=3 2040 B13R1.1255 CC=Cc1cnc(c(c1C)C#N)O 271570a_100016259895_100010247100 [0,1,0,0,0,0|3,0,0]=4 2041 B13R1.1255 CCNc1ccc(c(c1F)OC)F 34a_100137314619_100000210202 [0,1,0,0,0,0|2,0,1]=4 2042 B13R1.1255 CCOc1ccc(c(c1F)OC)F 34a_100000062073_100000210202 [0,1,0,0,0,0|2,0,1]=4 2043 B13R1.1255 CCOc1ccc(c(c1F)OC)F 7a_100000062073_100000210202 [0,1,0,0,0,0|2,0,1]=4 2044 B13R1.1255 CCSc1ccc(c(c1F)OC)Cl 62a_100000210202_200135222481 [0,1,0,0,0,0|2,0,1]=4 2045 B13R1.1255 CCSc1ccc(c(c1F)OC)Cl 62a_200135222481_100000210202 [0,1,0,0,0,0|2,0,1]=4 2046 B13R1.1255 CCSc1ccc(c(c1F)OC)N 62a_100000210202_100010734149 [0,1,0,0,0,0|2,0,1]=4 2047 B13R1.1255 CCSc1ccc(c(c1F)OC)N 62a_100010734149_100000210202 [0,1,0,0,0,0|2,0,1]=4 2048 B13R1.1255 CNCc1ccc(c(c1F)OC)Br 207a_100102657272_200010981996 [0,1,0,0,0,0|2,0,1]=4 2049 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 207a_100102657272_100009889114 [0,1,0,0,0,0|2,0,1]=4 2050 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 2230a_106832991635_100010116237 [0,1,0,0,0,0|2,0,1]=4 2051 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 270004a_106832991635_100009889114 [0,1,0,0,0,0|2,0,1]=4 2052 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 34a_100102657272_100010116237 [0,1,0,0,0,0|2,0,1]=4 2053 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 34a_200009889119_200000210301 [0,1,0,0,0,0|2,0,1]=4 2054 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 7a_106832991635_100010116237 [0,1,0,0,0,0|2,0,1]=4 2055 B13R1.1255 CNCc1ccc(c(c1F)OC)F 207a_100102657272_100000050928 [0,1,0,0,0,0|2,0,1]=4 2056 B13R1.1255 CNCc1ccc(c(c1F)OC)F 2230a_106832991635_100009814548 [0,1,0,0,0,0|2,0,1]=4 2057 B13R1.1255 CNCc1ccc(c(c1F)OC)F 270004a_106832991635_100000050928 [0,1,0,0,0,0|2,0,1]=4 2058 B13R1.1255 CNCc1ccc(c(c1F)OC)F 34a_100102657272_100009814548 [0,1,0,0,0,0|2,0,1]=4 2059 B13R1.1255 CNCc1ccc(c(c1F)OC)F 34a_115082355467_200000210301 [0,1,0,0,0,0|2,0,1]=4 2060 B13R1.1255 CNCc1ccc(c(c1F)OC)F 7a_106832991635_100009814548 [0,1,0,0,0,0|2,0,1]=4 2061 B13R1.1255 COCc1ccc(c(c1F)OC)Cl 34a_100009889115_200000210301 [0,1,0,0,0,0|2,0,1]=4 2062 B13R1.1255 COCc1ccc(c(c1F)OC)Cl 34a_100138415774_100010116237 [0,1,0,0,0,0|2,0,1]=4 2063 B13R1.1255 COCc1ccc(c(c1F)OC)Cl 7a_100009889115_200000210301 [0,1,0,0,0,0|2,0,1]=4 2064 B13R1.1255 COCc1ccc(c(c1F)OC)F 34a_100000081355_200000210301 [0,1,0,0,0,0|2,0,1]=4 2065 B13R1.1255 COCc1ccc(c(c1F)OC)F 34a_100138415774_100009814548 [0,1,0,0,0,0|2,0,1]=4 2066 B13R1.1255 COCc1ccc(c(c1F)OC)F 7a_100000081355_200000210301 [0,1,0,0,0,0|2,0,1]=4 2067 B13R1.1255 COc1c(ccc(c1F)CN[13CH3])Cl 34a_200009889119_200025704644 [0,1,0,0,0,0|2,0,1]=4 2068 B13R1.1255 COc1c(ccc(c1F)CN[13CH3])F 34a_115082355467_200025704644 [0,1,0,0,0,0|2,0,1]=4 2069 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])Cl 34a_100009889115_200025704644 [0,1,0,0,0,0|2,0,1]=4 2070 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])Cl 7a_100009889115_200025704644 [0,1,0,0,0,0|2,0,1]=4 2071 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])F 34a_100000081355_200025704644 [0,1,0,0,0,0|2,0,1]=4 2072 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])F 7a_100000081355_200025704644 [0,1,0,0,0,0|2,0,1]=4 2073 B13R1.1255 COc1c(ccc(c1F)CSC)Cl 62a_100010116237_200000210301 [0,1,0,0,0,0|2,0,1]=4 2074 B13R1.1255 COc1c(ccc(c1F)CSC)Cl 62a_200000210301_100010116237 [0,1,0,0,0,0|2,0,1]=4 2075 B13R1.1255 COc1c(ccc(c1F)CSC)F 62a_100009814548_200000210301 [0,1,0,0,0,0|2,0,1]=4 2076 B13R1.1255 COc1c(ccc(c1F)CSC)F 62a_200000210301_100009814548 [0,1,0,0,0,0|2,0,1]=4 2077 B13R1.1255 COc1c(ccc(c1F)CS[13CH3])Cl 62a_100010116237_200025704644 [0,1,0,0,0,0|2,0,1]=4 2078 B13R1.1255 COc1c(ccc(c1F)CS[13CH3])Cl 62a_200025704644_100010116237 [0,1,0,0,0,0|2,0,1]=4 2079 B13R1.1255 COc1c(ccc(c1F)CS[13CH3])F 62a_100009814548_200025704644 [0,1,0,0,0,0|2,0,1]=4 2080 B13R1.1255 COc1c(ccc(c1F)CS[13CH3])F 62a_200025704644_100009814548 [0,1,0,0,0,0|2,0,1]=4 2081 B13R1.2900 C=C=Cc1cc(c(cc1Br)Br)OC 271570a_100015277604_200014006352 [0,1,0,0,0,0|1,0,2]=4 2082 B13R1.2900 C=C=Cc1cc(c(cc1C)F)OC 271570a_100015277604_100011009880 [0,1,0,0,0,0|1,0,2]=4 2083 B13R1.2900 C=C=Cc1cc(c(cc1C)N)OC 271570a_100015277604_100010141321 [0,1,0,0,0,0|1,0,2]=4 2084 B13R1.2900 C=C=Cc1cc(c(cc1F)Cl)OC 271570a_100015277604_100010739614 [0,1,0,0,0,0|1,0,2]=4 2085 B13R1.2900 C=C=Cc1cc(c(cc1F)F)OC 271570a_100015277604_200015541288 [0,1,0,0,0,0|1,0,2]=4 2086 B13R1.2900 C=C=Cc1cc(c(cc1F)N)OC 271570a_100015277604_100012766639 [0,1,0,0,0,0|1,0,2]=4 2087 B13R1.2900 C=C=Cc1cc(c(cc1F)O)OC 271570a_100015277604_100010189133 [0,1,0,0,0,0|0,0,2]=3 2088 B13R1.2900 C=C=Cc1cc(c(cc1N)C)OC 271570a_100015277604_200010584344 [0,1,0,0,0,0|1,0,2]=4 2089 B13R1.2900 C=C=Cc1cc(c(cc1N)F)OC 271570a_100015277604_100010365326 [0,1,0,0,0,0|1,0,2]=4 2090 B13R1.2900 CC=Cc1cc(c(cc1Br)Br)OC 271570a_100016259895_200014006352 [0,1,0,0,0,0|1,0,0]=2 2091 B13R1.2900 CC=Cc1cc(c(cc1C)F)C#N 271570a_100016259895_100010159637 [0,1,0,0,0,0|3,0,0]=4 2092 B13R1.2900 CC=Cc1cc(c(cc1C)F)C=O 271570a_100016259895_100010138641 [0,1,0,0,0,0|3,0,0]=4 2093 B13R1.2900 CC=Cc1cc(c(cc1C)F)OC 271570a_100016259895_100011009880 [0,1,0,0,0,0|1,0,0]=2 2094 B13R1.2900 CC=Cc1cc(c(cc1C)N)OC 271570a_100016259895_100010141321 [0,1,0,0,0,0|1,0,0]=2 2095 B13R1.2900 CC=Cc1cc(c(cc1F)Cl)OC 271570a_100016259895_100010739614 [0,1,0,0,0,0|1,0,0]=2 2096 B13R1.2900 CC=Cc1cc(c(cc1F)F)C#N 271570a_100016259895_100000084146 [0,1,0,0,0,0|3,0,0]=4 2097 B13R1.2900 CC=Cc1cc(c(cc1F)F)C=O 271570a_100016259895_100009814802 [0,1,0,0,0,0|3,0,0]=4 2098 B13R1.2900 CC=Cc1cc(c(cc1F)F)CO 271570a_100016259895_100016029355 [0,1,0,0,0,0|3,0,0]=4 2099 B13R1.2900 CC=Cc1cc(c(cc1F)F)OC 271570a_100016259895_200015541288 [0,1,0,0,0,0|1,0,0]=2 2100 B13R1.2900 CC=Cc1cc(c(cc1F)N)C#N 271570a_100016259895_100010741936 [0,1,0,0,0,0|3,0,0]=4 2101 B13R1.2900 CC=Cc1cc(c(cc1F)N)C=O 271570a_100016259895_200010571964 [0,1,0,0,0,0|3,0,0]=4 2102 B13R1.2900 CC=Cc1cc(c(cc1F)N)NC 271570a_100016259895_100013631271 [0,1,0,0,0,0|2,0,0]=3 2103 B13R1.2900 CC=Cc1cc(c(cc1F)N)OC 271570a_100016259895_100012766639 [0,1,0,0,0,0|1,0,0]=2 2104 B13R1.2900 CC=Cc1cc(c(cc1F)O)C=O 271570a_100016259895_100010175118 [0,1,0,0,0,0|2,0,0]=3 2105 B13R1.2900 CC=Cc1cc(c(cc1F)O)OC 271570a_100016259895_100010189133 [0,1,0,0,0,0|0,0,0]=1 2106 B13R1.2900 CC=Cc1cc(c(cc1N)C)OC 271570a_100016259895_200010584344 [0,1,0,0,0,0|1,0,0]=2 2107 B13R1.2900 CC=Cc1cc(c(cc1N)F)C#N 271570a_100016259895_200015809822 [0,1,0,0,0,0|3,0,0]=4 2108 B13R1.2900 CC=Cc1cc(c(cc1N)F)OC 271570a_100016259895_100010365326 [0,1,0,0,0,0|1,0,0]=2 2109 B13R1.2900 CC=Cc1cc(c(cc1O)F)C#N 271570a_100016259895_100011015635 [0,1,0,0,0,0|3,0,0]=4 2110 B13R1.2900 CC=Cc1cc(c(cc1O)O)C=O 271570a_100016259895_200010132312 [0,1,0,0,0,0|2,0,0]=3 2111 B13R1.2900 CC=Cc1cc(c(nc1C)N)OC 271570a_100016259895_200010892190 [0,1,0,0,0,0|2,0,0]=3 2112 B13R1.2900 CC=Cc1cc(c(nc1C)O)C#N 271570a_100016259895_100000702242 [0,1,0,0,0,0|3,0,0]=4 2113 B13R1.2900 CCNc1cc(c(cc1Br)Br)OC 34a_100000718616_100000210202 [0,1,0,0,0,0|2,0,1]=4 2114 B13R1.2900 CCNc1cc(c(cc1Br)Br)OC 7a_100000718616_100000210202 [0,1,0,0,0,0|2,0,1]=4 2115 B13R1.2900 CCNc1cc(c(cc1Br)C)OC 34a_100010244135_100000210202 [0,1,0,0,0,0|2,0,1]=4 2116 B13R1.2900 CCNc1cc(c(cc1Br)C)OC 7a_100010244135_100000210202 [0,1,0,0,0,0|2,0,1]=4 2117 B13R1.2900 CCNc1cc(c(cc1Br)Cl)OC 34a_100013022580_100000210202 [0,1,0,0,0,0|2,0,1]=4 2118 B13R1.2900 CCNc1cc(c(cc1Br)Cl)OC 7a_100013022580_100000210202 [0,1,0,0,0,0|2,0,1]=4 2119 B13R1.2900 CCNc1cc(c(cc1Br)F)OC 34a_100010208193_100000210202 [0,1,0,0,0,0|2,0,1]=4 2120 B13R1.2900 CCNc1cc(c(cc1Br)F)OC 7a_100010208193_100000210202 [0,1,0,0,0,0|2,0,1]=4 2121 B13R1.2900 CCNc1cc(c(cc1C)Br)OC 34a_100010232211_100000210202 [0,1,0,0,0,0|2,0,1]=4 2122 B13R1.2900 CCNc1cc(c(cc1C)Br)OC 7a_100010232211_100000210202 [0,1,0,0,0,0|2,0,1]=4 2123 B13R1.2900 CCNc1cc(c(cc1C)Cl)OC 2230a_100009858536_100000210202 [0,1,0,0,0,0|2,0,1]=4 2124 B13R1.2900 CCNc1cc(c(cc1C)Cl)OC 34a_100009858536_100000210202 [0,1,0,0,0,0|2,0,1]=4 2125 B13R1.2900 CCNc1cc(c(cc1C)Cl)OC 7a_100009858536_100000210202 [0,1,0,0,0,0|2,0,1]=4 2126 B13R1.2900 CCNc1cc(c(cc1Cl)Br)OC 34a_100012361290_100000210202 [0,1,0,0,0,0|2,0,1]=4 2127 B13R1.2900 CCNc1cc(c(cc1Cl)Br)OC 7a_100012361290_100000210202 [0,1,0,0,0,0|2,0,1]=4 2128 B13R1.2900 CCNc1cc(c(cc1Cl)Cl)OC 34a_100011830341_100000210202 [0,1,0,0,0,0|2,0,1]=4 2129 B13R1.2900 CCNc1cc(c(cc1Cl)F)OC 34a_100009958774_100000210202 [0,1,0,0,0,0|2,0,1]=4 2130 B13R1.2900 CCNc1cc(c(cc1Cl)F)OC 7a_100009958774_100000210202 [0,1,0,0,0,0|2,0,1]=4 2131 B13R1.2900 CCNc1cc(c(cc1F)Cl)OC 34a_100009872666_100000210202 [0,1,0,0,0,0|2,0,1]=4 2132 B13R1.2900 CCNc1cc(c(cc1F)Cl)OC 7a_100009872666_100000210202 [0,1,0,0,0,0|2,0,1]=4 2133 B13R1.2900 CCSc1cc(c(cc1Br)Br)OC 62a_100000210202_200014006352 [0,1,0,0,0,0|2,0,1]=4 2134 B13R1.2900 CCSc1cc(c(cc1Br)Br)OC 62a_200014006352_100000210202 [0,1,0,0,0,0|2,0,1]=4 2135 B13R1.2900 CCSc1cc(c(cc1C)F)OC 62a_100000210202_100011009880 [0,1,0,0,0,0|2,0,1]=4 2136 B13R1.2900 CCSc1cc(c(cc1C)F)OC 62a_100011009880_100000210202 [0,1,0,0,0,0|2,0,1]=4 2137 B13R1.2900 CCSc1cc(c(cc1C)N)OC 62a_100000210202_100010141321 [0,1,0,0,0,0|2,0,1]=4 2138 B13R1.2900 CCSc1cc(c(cc1C)N)OC 62a_100010141321_100000210202 [0,1,0,0,0,0|2,0,1]=4 2139 B13R1.2900 CCSc1cc(c(cc1F)Cl)OC 62a_100000210202_100010739614 [0,1,0,0,0,0|2,0,1]=4 2140 B13R1.2900 CCSc1cc(c(cc1F)Cl)OC 62a_100010739614_100000210202 [0,1,0,0,0,0|2,0,1]=4 2141 B13R1.2900 CCSc1cc(c(cc1F)F)OC 62a_100000210202_200015541288 [0,1,0,0,0,0|2,0,1]=4 2142 B13R1.2900 CCSc1cc(c(cc1F)F)OC 62a_200015541288_100000210202 [0,1,0,0,0,0|2,0,1]=4 2143 B13R1.2900 CCSc1cc(c(cc1F)N)OC 62a_100000210202_100012766639 [0,1,0,0,0,0|2,0,1]=4 2144 B13R1.2900 CCSc1cc(c(cc1F)N)OC 62a_100012766639_100000210202 [0,1,0,0,0,0|2,0,1]=4 2145 B13R1.2900 CCSc1cc(c(cc1F)O)OC 62a_100000210202_100010189133 [0,1,0,0,0,0|1,0,1]=3 2146 B13R1.2900 CCSc1cc(c(cc1N)C)OC 62a_100000210202_200010584344 [0,1,0,0,0,0|2,0,1]=4 2147 B13R1.2900 CCSc1cc(c(cc1N)C)OC 62a_200010584344_100000210202 [0,1,0,0,0,0|2,0,1]=4 2148 B13R1.2900 CCSc1cc(c(cc1N)F)OC 62a_100000210202_100010365326 [0,1,0,0,0,0|2,0,1]=4 2149 B13R1.2900 CCSc1cc(c(cc1N)F)OC 62a_100010365326_100000210202 [0,1,0,0,0,0|2,0,1]=4 2150 B13R1.2900 CNCc1cc(c(cc1Br)Br)OC 207a_100102657272_100010996155 [0,1,0,0,0,0|2,0,1]=4 2151 B13R1.2900 CNCc1cc(c(cc1Br)Br)OC 270004a_106832991635_100010996155 [0,1,0,0,0,0|2,0,1]=4 2152 B13R1.2900 CNCc1cc(c(cc1Br)F)OC 207a_100102657272_100010366953 [0,1,0,0,0,0|2,0,1]=4 2153 B13R1.2900 CNCc1cc(c(cc1Br)F)OC 270004a_106832991635_100010366953 [0,1,0,0,0,0|2,0,1]=4 2154 B13R1.2900 CNCc1cc(c(cc1F)Br)OC 207a_100102657272_100000695681 [0,1,0,0,0,0|2,0,1]=4 2155 B13R1.2900 CNCc1cc(c(cc1F)Br)OC 270004a_106832991635_100000695681 [0,1,0,0,0,0|2,0,1]=4 2156 B13R1.2900 CNCc1cc(c(cc1F)Cl)OC 207a_100102657272_100000050388 [0,1,0,0,0,0|2,0,1]=4 2157 B13R1.2900 CNCc1cc(c(cc1F)Cl)OC 270004a_106832991635_100000050388 [0,1,0,0,0,0|2,0,1]=4 2158 B13R1.2900 CNCc1cc(c(cc1F)F)OC 207a_100102657272_100010630602 [0,1,0,0,0,0|2,0,1]=4 2159 B13R1.2900 CNCc1cc(c(cc1F)F)OC 270004a_106832991635_100010630602 [0,1,0,0,0,0|2,0,1]=4 2160 B13R1.2900 COc1cc(c(cc1O)F)SCF 62a_100015361967_100010189133 [0,1,0,0,0,0|2,0,1]=4 2161 B13R1.4030 C=C=Cc1cc(c(c(c1)CC)O)C 271570a_100015277604_100010659108 [0,1,0,0,0,0|1,0,2]=4 2162 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)F)C 271570a_100015277604_100010271686 [0,1,0,0,0,0|1,0,2]=4 2163 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)F)F 271570a_100015277604_100011218012 [0,1,0,0,0,0|1,0,2]=4 2164 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)F)O 271570a_100015277604_200015524394 [0,1,0,0,0,0|1,0,2]=4 2165 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)N)C 271570a_100015277604_100000741850 [0,1,0,0,0,0|1,0,2]=4 2166 B13R1.4030 CC=Cc1cc(c(c(c1)C#N)C)F 271570a_100016259895_100015693266 [0,1,0,0,0,0|3,0,0]=4 2167 B13R1.4030 CC=Cc1cc(c(c(c1)C#N)F)C 271570a_100016259895_200010873580 [0,1,0,0,0,0|3,0,0]=4 2168 B13R1.4030 CC=Cc1cc(c(c(c1)C#N)F)F 271570a_100016259895_100010290105 [0,1,0,0,0,0|3,0,0]=4 2169 B13R1.4030 CC=Cc1cc(c(c(c1)C#N)N)C 271570a_100016259895_100012771665 [0,1,0,0,0,0|3,0,0]=4 2170 B13R1.4030 CC=Cc1cc(c(c(c1)C#N)N)F 271570a_100016259895_200012344957 [0,1,0,0,0,0|3,0,0]=4 2171 B13R1.4030 CC=Cc1cc(c(c(c1)C#N)O)C 271570a_100016259895_100010195408 [0,1,0,0,0,0|2,0,0]=3 2172 B13R1.4030 CC=Cc1cc(c(c(c1)C=O)F)C 271570a_100016259895_100010235757 [0,1,0,0,0,0|3,0,0]=4 2173 B13R1.4030 CC=Cc1cc(c(c(c1)C=O)F)F 271570a_100016259895_100009814787 [0,1,0,0,0,0|3,0,0]=4 2174 B13R1.4030 CC=Cc1cc(c(c(c1)C=O)O)F 271570a_100016259895_100011217654 [0,1,0,0,0,0|2,0,0]=3 2175 B13R1.4030 CC=Cc1cc(c(c(c1)CC)N)C 271570a_100016259895_200000186424 [0,1,0,0,0,0|2,0,0]=3 2176 B13R1.4030 CC=Cc1cc(c(c(c1)CC)O)C 271570a_100016259895_100010659108 [0,1,0,0,0,0|1,0,0]=2 2177 B13R1.4030 CC=Cc1cc(c(c(c1)CO)F)C 271570a_100016259895_200010782270 [0,1,0,0,0,0|3,0,0]=4 2178 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)C 271570a_100016259895_100010271686 [0,1,0,0,0,0|1,0,0]=2 2179 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)F 271570a_100016259895_100011218012 [0,1,0,0,0,0|1,0,0]=2 2180 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)O 271570a_100016259895_200015524394 [0,1,0,0,0,0|1,0,0]=2 2181 B13R1.4030 CC=Cc1cc(c(c(c1)OC)N)C 271570a_100016259895_100000741850 [0,1,0,0,0,0|1,0,0]=2 2182 B13R1.4030 CC=Cc1nc(c(c(n1)OC)F)C 271570a_100016259895_100000709200 [0,1,0,0,0,0|3,0,0]=4 2183 B13R1.4030 CCNc1cc(c(c(c1)OC)Cl)Br 2230a_100010131419_100000210202 [0,1,0,0,0,0|2,0,1]=4 2184 B13R1.4030 CCNc1cc(c(c(c1)OC)Cl)Br 34a_100010131419_100000210202 [0,1,0,0,0,0|2,0,1]=4 2185 B13R1.4030 CCNc1cc(c(c(c1)OC)Cl)Br 7a_100010131419_100000210202 [0,1,0,0,0,0|2,0,1]=4 2186 B13R1.4030 CCSc1cc(c(c(c1)CC)O)C 62a_100000210202_100010659108 [0,1,0,0,0,0|2,0,1]=4 2187 B13R1.4030 CCSc1cc(c(c(c1)OC)F)C 62a_100000210202_100010271686 [0,1,0,0,0,0|2,0,1]=4 2188 B13R1.4030 CCSc1cc(c(c(c1)OC)F)C 62a_100010271686_100000210202 [0,1,0,0,0,0|2,0,1]=4 2189 B13R1.4030 CCSc1cc(c(c(c1)OC)F)F 62a_100000210202_100011218012 [0,1,0,0,0,0|2,0,1]=4 2190 B13R1.4030 CCSc1cc(c(c(c1)OC)F)F 62a_100011218012_100000210202 [0,1,0,0,0,0|2,0,1]=4 2191 B13R1.4030 CCSc1cc(c(c(c1)OC)F)O 62a_100000210202_200015524394 [0,1,0,0,0,0|2,0,1]=4 2192 B13R1.4030 CCSc1cc(c(c(c1)OC)F)O 62a_200015524394_100000210202 [0,1,0,0,0,0|2,0,1]=4 2193 B13R1.4030 CCSc1cc(c(c(c1)OC)N)C 62a_100000210202_100000741850 [0,1,0,0,0,0|2,0,1]=4 2194 B13R1.4030 CCSc1cc(c(c(c1)OC)N)C 62a_100000741850_100000210202 [0,1,0,0,0,0|2,0,1]=4 2195 B13R1.4030 CCSc1cc(c(c(c1)OC)O)O 62a_100000210202_200159242197 [0,1,0,0,0,0|1,0,1]=3 2196 B13R1.4030 CNCc1cc(c(c(c1)OC)F)F 207a_100102657272_100000050682 [0,1,0,0,0,0|2,0,1]=4 2197 B13R1.4030 CNCc1cc(c(c(c1)OC)F)F 270004a_106832991635_100000050682 [0,1,0,0,0,0|2,0,1]=4 2198 B13R1.4030 COc1cc(cc(c1O)O)SCF 62a_100015361967_200159242197 [0,1,0,0,0,0|2,0,1]=4 2199 B13R2.121 COc1c(ccc2c1CCC2)Br 34a_100010662108_200000210301 [0,0,0,1,0,0|1,0,2]=4 2200 B13R2.121 COc1c(ccc2c1CCC2)Br 7a_100010662108_200000210301 [0,0,0,1,0,0|1,0,2]=4 2201 B13R2.121 COc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100009817061 [0,0,0,1,0,0|2,0,1]=4 2202 B13R2.121 COc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010174914 [0,0,0,1,0,0|2,0,1]=4 2203 B13R2.121 CSc1c(ccc2c1[nH]cc2)C 62a_200000210301_100010717004 [0,0,0,1,0,0|2,1,0]=4 2204 B13R2.121 Cc1ccc2cc[nH]c2c1S[13CH3] 62a_200025704644_100010717004 [0,0,0,1,0,0|2,1,0]=4 2205 B13R2.121 [13CH3]Oc1c(ccc2c1CCC2)Br 34a_100010662108_200025704644 [0,0,0,1,0,0|1,0,2]=4 2206 B13R2.121 [13CH3]Oc1c(ccc2c1CCC2)Br 7a_100010662108_200025704644 [0,0,0,1,0,0|1,0,2]=4 2207 B13R2.449 C=C=Cc1ccc2c(c1)CCO2 271570a_100015277604_100000729065 [0,0,0,1,0,0|1,0,2]=4 2208 B13R2.449 C=C=Cc1ccc2c(c1)OCC2 271570a_100015277604_100009818566 [0,0,0,1,0,0|1,0,2]=4 2209 B13R2.449 C=C=Cc1ccc2c(c1)OCO2 271570a_100015277604_100000688060 [0,0,0,1,0,0|0,0,2]=3 2210 B13R2.449 CC=Cc1cc2c(cn1)CCN2 271570a_100016259895_100020639910 [0,0,0,1,0,0|3,0,0]=4 2211 B13R2.449 CC=Cc1cc2c(cn1)NCC2 271570a_100016259895_100009884275 [0,0,0,1,0,0|3,0,0]=4 2212 B13R2.449 CC=Cc1cc2c(cn1)OCC2 271570a_100016259895_102495363667 [0,0,0,1,0,0|2,0,0]=3 2213 B13R2.449 CC=Cc1ccc2[nH]ccc2c1 271570a_100016259895_100000211741 [0,0,0,1,0,0|2,0,1]=4 2214 B13R2.449 CC=Cc1ccc2[nH]cnc2c1 271570a_100016259895_100011265325 [0,0,0,1,0,0|2,0,1]=4 2215 B13R2.449 CC=Cc1ccc2[nH]ncc2c1 271570a_100016259895_100000049815 [0,0,0,1,0,0|3,0,0]=4 2216 B13R2.449 CC=Cc1ccc2c(c1)C=CC2 271570a_100016259895_100009814306 [0,0,0,1,0,0|2,0,1]=4 2217 B13R2.449 CC=Cc1ccc2c(c1)CC=C2 271570a_100016259895_200009818231 [0,0,0,1,0,0|2,0,1]=4 2218 B13R2.449 CC=Cc1ccc2c(c1)CCC2 271570a_100016259895_100000745594 [0,0,0,1,0,0|2,0,0]=3 2219 B13R2.449 CC=Cc1ccc2c(c1)CCN2 271570a_100016259895_100000026929 [0,0,0,1,0,0|2,0,0]=3 2220 B13R2.449 CC=Cc1ccc2c(c1)CCO2 271570a_100016259895_100000729065 [0,0,0,1,0,0|1,0,0]=2 2221 B13R2.449 CC=Cc1ccc2c(c1)CNC2 271570a_100016259895_100000702344 [0,0,0,1,0,0|3,0,0]=4 2222 B13R2.449 CC=Cc1ccc2c(c1)COC2 271570a_100016259895_100000698232 [0,0,0,1,0,0|3,0,0]=4 2223 B13R2.449 CC=Cc1ccc2c(c1)NCC2 271570a_100016259895_100000754641 [0,0,0,1,0,0|2,0,0]=3 2224 B13R2.449 CC=Cc1ccc2c(c1)OCC2 271570a_100016259895_100009818566 [0,0,0,1,0,0|1,0,0]=2 2225 B13R2.449 CC=Cc1ccc2c(c1)OCO2 271570a_100016259895_100000688060 [0,0,0,1,0,0|0,0,0]=1 2226 B13R2.449 CC=Cc1ccc2c(n1)CCC2 271570a_100016259895_100000046531 [0,0,0,1,0,0|3,0,0]=4 2227 B13R2.449 CC=Cc1ccc2c(n1)CCN2 271570a_100016259895_100009872833 [0,0,0,1,0,0|3,0,0]=4 2228 B13R2.449 CC=Cc1ccc2cc[nH]c2c1 271570a_100016259895_100000743809 [0,0,0,1,0,0|2,0,1]=4 2229 B13R2.449 CC=Cc1ccc2ccoc2c1 271570a_100016259895_100000759542 [0,0,0,1,0,0|1,0,1]=3 2230 B13R2.449 CC=Cc1ccc2ccsc2c1 271570a_100016259895_100009888917 [0,0,0,1,0,0|1,1,1]=4 2231 B13R2.449 CC=Cc1ccc2cn[nH]c2c1 271570a_100016259895_100000049514 [0,0,0,1,0,0|3,0,0]=4 2232 B13R2.449 CC=Cc1ccc2cnoc2c1 271570a_100016259895_100009817722 [0,0,0,1,0,0|2,0,0]=3 2233 B13R2.449 CC=Cc1ccc2cscc2c1 271570a_100016259895_200010760811 [0,0,0,1,0,0|3,0,0]=4 2234 B13R2.449 CC=Cc1ccc2csnc2c1 271570a_100016259895_100010170880 [0,0,0,1,0,0|3,0,0]=4 2235 B13R2.449 CC=Cc1ccc2ncoc2c1 271570a_100016259895_100009817590 [0,0,0,1,0,0|1,0,1]=3 2236 B13R2.449 CC=Cc1ccc2ncsc2c1 271570a_100016259895_100009816678 [0,0,0,1,0,0|1,1,1]=4 2237 B13R2.449 CC=Cc1ccc2nn[nH]c2c1 271570a_100016259895_100009817464 [0,0,0,1,0,0|3,0,0]=4 2238 B13R2.449 CC=Cc1ccc2nonc2c1 271570a_100016259895_100009814275 [0,0,0,1,0,0|3,0,0]=4 2239 B13R2.449 CC=Cc1ccc2nsnc2c1 271570a_100016259895_100009814274 [0,0,0,1,0,0|3,0,0]=4 2240 B13R2.449 CC=Cc1ccc2occc2c1 271570a_100016259895_100012343831 [0,0,0,1,0,0|1,0,1]=3 2241 B13R2.449 CC=Cc1ccc2occc2n1 271570a_100016259895_100009851292 [0,0,0,1,0,0|2,0,1]=4 2242 B13R2.449 CC=Cc1ccc2ocnc2c1 271570a_100016259895_100009816175 [0,0,0,1,0,0|1,0,1]=3 2243 B13R2.449 CC=Cc1ccc2oncc2c1 271570a_100016259895_100009817723 [0,0,0,1,0,0|2,0,0]=3 2244 B13R2.449 CC=Cc1ccc2sccc2c1 271570a_100016259895_100009814439 [0,0,0,1,0,0|1,1,1]=4 2245 B13R2.449 CC=Cc1ccc2scnc2c1 271570a_100016259895_100010005895 [0,0,0,1,0,0|1,1,1]=4 2246 B13R2.449 CC=Cc1cnc2c(c1)CCC2 271570a_100016259895_100000693888 [0,0,0,1,0,0|3,0,0]=4 2247 B13R2.449 CC=Cc1cnc2c(c1)CCN2 271570a_100016259895_100009817725 [0,0,0,1,0,0|3,0,0]=4 2248 B13R2.449 CC=Cc1cnc2c(c1)NCC2 271570a_100016259895_100000698607 [0,0,0,1,0,0|3,0,0]=4 2249 B13R2.449 CC=Cc1cnc2ncoc2c1 271570a_100016259895_100000721906 [0,0,0,1,0,0|2,0,1]=4 2250 B13R2.449 CCNc1ccc2c(c1)CCO2 2230a_100000736984_100000210202 [0,0,0,1,0,0|2,0,1]=4 2251 B13R2.449 CCNc1ccc2c(c1)CCO2 34a_100000736984_100000210202 [0,0,0,1,0,0|2,0,1]=4 2252 B13R2.449 CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210202 [0,0,0,1,0,0|1,0,1]=3 2253 B13R2.449 CCNc1ccc2c(c1)OCO2 34a_100000209953_100000210202 [0,0,0,1,0,0|1,0,1]=3 2254 B13R2.449 CCOc1ccc2c(c1)OCO2 34a_100000210298_100000210202 [0,0,0,1,0,0|1,0,1]=3 2255 B13R2.449 CCSc1ccc2c(c1)CCO2 62a_100000210202_100000729065 [0,0,0,1,0,0|2,0,1]=4 2256 B13R2.449 CCSc1ccc2c(c1)CCO2 62a_100000729065_100000210202 [0,0,0,1,0,0|2,0,1]=4 2257 B13R2.449 CCSc1ccc2c(c1)OCC2 62a_100000210202_100009818566 [0,0,0,1,0,0|2,0,1]=4 2258 B13R2.449 CCSc1ccc2c(c1)OCC2 62a_100009818566_100000210202 [0,0,0,1,0,0|2,0,1]=4 2259 B13R2.449 CNCc1ccc2c(c1)CCO2 207a_100102657272_100011218456 [0,0,0,1,0,0|2,0,1]=4 2260 B13R2.449 CNCc1ccc2c(c1)CCO2 2230a_100011219410_200000210301 [0,0,0,1,0,0|2,0,1]=4 2261 B13R2.449 CNCc1ccc2c(c1)CCO2 270004a_106832991635_100011218456 [0,0,0,1,0,0|2,0,1]=4 2262 B13R2.449 CNCc1ccc2c(c1)CCO2 34a_100011219410_200000210301 [0,0,0,1,0,0|2,0,1]=4 2263 B13R2.449 CNCc1ccc2c(c1)OCO2 2230a_100000210006_200000210301 [0,0,0,1,0,0|1,0,1]=3 2264 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100000210006_200000210301 [0,0,0,1,0,0|1,0,1]=3 2265 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100102657272_100000189651 [0,0,0,1,0,0|1,0,1]=3 2266 B13R2.449 CNCc1ccc2c(c1)OCO2 7a_106832991635_100000189651 [0,0,0,1,0,0|1,0,1]=3 2267 B13R2.449 COCc1ccc2c(c1)CCO2 34a_100011219353_200000210301 [0,0,0,1,0,0|2,0,1]=4 2268 B13R2.449 COCc1ccc2c(c1)CCO2 7a_100011219353_200000210301 [0,0,0,1,0,0|2,0,1]=4 2269 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100000210967_200000210301 [0,0,0,1,0,0|1,0,1]=3 2270 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100138415774_100000189651 [0,0,0,1,0,0|1,0,1]=3 2271 B13R2.449 FCNc1ccc2c(c1)OCO2 34a_100000209953_100015361967 [0,0,0,1,0,0|2,0,1]=4 2272 B13R2.449 FCOc1ccc2c(c1)OCO2 34a_100000210298_100015361967 [0,0,0,1,0,0|2,0,1]=4 2273 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 2230a_100011219410_200025704644 [0,0,0,1,0,0|2,0,1]=4 2274 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 34a_100011219410_200025704644 [0,0,0,1,0,0|2,0,1]=4 2275 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 2230a_100000210006_200025704644 [0,0,0,1,0,0|1,0,1]=3 2276 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 34a_100000210006_200025704644 [0,0,0,1,0,0|1,0,1]=3 2277 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 34a_100011219353_200025704644 [0,0,0,1,0,0|2,0,1]=4 2278 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 7a_100011219353_200025704644 [0,0,0,1,0,0|2,0,1]=4 2279 B13R2.449 [13CH3]OCc1ccc2c(c1)OCO2 34a_100000210967_200025704644 [0,0,0,1,0,0|1,0,1]=3 2280 B13R2.599 COc1cc2[nH]ccc2cc1O 271570a_203496583355_100010245498 [0,0,0,1,0,0|1,0,1]=3 2281 B13R2.599 COc1cc2[nH]cnc2cc1O 271570a_203496583355_100010062394 [0,0,0,1,0,0|2,0,0]=3 2282 B13R2.599 COc1cc2c(cc1Br)CCC2 34a_200010659162_200000210301 [0,0,0,1,0,0|1,0,2]=4 2283 B13R2.599 COc1cc2c(cc1Br)CCC2 7a_200010659162_200000210301 [0,0,0,1,0,0|1,0,2]=4 2284 B13R2.599 COc1cc2c(cc1F)CCC2 34a_200000146645_200000210301 [0,0,0,1,0,0|1,0,2]=4 2285 B13R2.599 COc1cc2c(cc1F)CCC2 7a_200000146645_200000210301 [0,0,0,1,0,0|1,0,2]=4 2286 B13R2.599 COc1cc2cc[nH]c2cc1O 271570a_203496583355_100010245486 [0,0,0,1,0,0|1,0,0]=2 2287 B13R2.599 COc1cc2cn[nH]c2cc1O 271570a_203496583355_100010074698 [0,0,0,1,0,0|2,0,0]=3 2288 B13R2.599 COc1cc2n[nH]cc2cc1O 271570a_203496583355_100020876381 [0,0,0,1,0,0|2,0,1]=4 2289 B13R2.599 COc1nc2[nH]ccc2cc1O 271570a_203496583355_100010168744 [0,0,0,1,0,0|2,0,1]=4 2290 B13R2.599 CSc1cc2c(cc1O)CCC2 62a_200000210301_200010659162 [0,0,0,1,0,0|0,1,2]=4 2291 B13R2.599 CSc1cc2c(cc1O)CCC2 62a_200010659162_200000210301 [0,0,0,1,0,0|0,1,2]=4 2292 B13R2.599 CSc1cc2cc[nH]c2cc1C 62a_200000210301_100010199648 [0,0,0,1,0,0|2,1,0]=4 2293 B13R2.599 CSc1cc2cc[nH]c2cc1F 62a_100000731065_200000210301 [0,0,0,1,0,0|2,1,0]=4 2294 B13R2.599 CSc1cc2cc[nH]c2cc1F 62a_200000210301_100000731065 [0,0,0,1,0,0|2,1,0]=4 2295 B13R2.599 CSc1cc2cc[nH]c2cc1N 62a_100010212544_200000210301 [0,0,0,1,0,0|2,1,0]=4 2296 B13R2.599 CSc1cc2cc[nH]c2cc1N 62a_200000210301_100010212544 [0,0,0,1,0,0|2,1,0]=4 2297 B13R2.599 CSc1cc2cn[nH]c2cc1O 62a_200000210301_100010079831 [0,0,0,1,0,0|2,1,0]=4 2298 B13R2.599 Cc1cc2[nH]ccc2cc1S[13CH3] 62a_200025704644_100010199648 [0,0,0,1,0,0|2,1,0]=4 2299 B13R2.599 [13CH3]Oc1cc2c(cc1Br)CCC2 34a_200010659162_200025704644 [0,0,0,1,0,0|1,0,2]=4 2300 B13R2.599 [13CH3]Oc1cc2c(cc1Br)CCC2 7a_200010659162_200025704644 [0,0,0,1,0,0|1,0,2]=4 2301 B13R2.599 [13CH3]Oc1cc2c(cc1F)CCC2 34a_200000146645_200025704644 [0,0,0,1,0,0|1,0,2]=4 2302 B13R2.599 [13CH3]Oc1cc2c(cc1F)CCC2 7a_200000146645_200025704644 [0,0,0,1,0,0|1,0,2]=4 2303 B13R2.599 [13CH3]Sc1cc2c(cc1O)CCC2 62a_200010659162_200025704644 [0,0,0,1,0,0|0,1,2]=4 2304 B13R2.599 [13CH3]Sc1cc2c(cc1O)CCC2 62a_200025704644_200010659162 [0,0,0,1,0,0|0,1,2]=4 2305 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1F 62a_100000731065_200025704644 [0,0,0,1,0,0|2,1,0]=4 2306 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1F 62a_200025704644_100000731065 [0,0,0,1,0,0|2,1,0]=4 2307 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1N 62a_100010212544_200025704644 [0,0,0,1,0,0|2,1,0]=4 2308 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1N 62a_200025704644_100010212544 [0,0,0,1,0,0|2,1,0]=4 2309 B13R2.599 [13CH3]Sc1cc2cn[nH]c2cc1O 62a_200025704644_100010079831 [0,0,0,1,0,0|2,1,0]=4 2310 B13R2.2461 CCc1cc(ccc1O)C2CC2 271570a_100011220607_100012338938 [0,0,0,1,0,0|1,0,2]=4 2311 B13R2.2461 COc1cc(ccc1Br)C2CC2 271570a_100011220607_100012353699 [0,0,0,1,0,0|1,0,2]=4 2312 B13R2.2461 COc1cc(ccc1C)C2CC2 271570a_100011220607_100011830276 [0,0,0,1,0,0|1,0,2]=4 2313 B13R2.2461 COc1cc(ccc1Cl)C2CC2 271570a_100011220607_100011356853 [0,0,0,1,0,0|1,0,2]=4 2314 B13R2.2461 COc1cc(ccc1F)C2CC2 271570a_100011220607_100011934186 [0,0,0,1,0,0|1,0,2]=4 2315 B13R2.2461 COc1cc(ccc1F)C2CC2 34a_100118380312_200000210301 [0,0,0,1,0,0|1,0,2]=4 2316 B13R2.2461 COc1cc(ccc1F)C2CC2 7a_100118380312_200000210301 [0,0,0,1,0,0|1,0,2]=4 2317 B13R2.2461 COc1cc(ccc1N)C2CC2 271570a_100011220607_100011279103 [0,0,0,1,0,0|1,0,2]=4 2318 B13R2.2461 COc1cc(ccc1O)C2CC2 271570a_100011220607_100000694246 [0,0,0,1,0,0|0,0,2]=3 2319 B13R2.2461 COc1nc(ccc1O)C2CC2 271570a_100011220607_100010893133 [0,0,0,1,0,0|1,0,2]=4 2320 B13R2.2461 CSc1cc(ccc1O)C2CC2 62a_200000210301_100135415898 [0,0,0,1,0,0|0,1,2]=4 2321 B13R2.2461 [13CH3]Oc1cc(ccc1F)C2CC2 34a_100118380312_200025704644 [0,0,0,1,0,0|1,0,2]=4 2322 B13R2.2461 [13CH3]Oc1cc(ccc1F)C2CC2 7a_100118380312_200025704644 [0,0,0,1,0,0|1,0,2]=4 2323 B13R2.2461 [13CH3]Sc1cc(ccc1O)C2CC2 62a_200025704644_100135415898 [0,0,0,1,0,0|0,1,2]=4 2324 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [2,0,0,0,0,0|0,0,2]=4 2325 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [2,0,0,0,0,0|0,0,2]=4 2326 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [2,0,0,0,0,0|0,0,2]=4 2327 B10R1.10 CC#Cc1cccc(c1)O 271570a_203496583355_200009843338 [2,0,0,0,0,0|0,0,2]=4 2328 B10R1.10 CC=Cc1cc(ccn1)C 271570a_100016259895_100000750283 [2,0,0,0,0,0|1,0,0]=3 2329 B10R1.10 CC=Cc1cc(ccn1)Cl 271570a_100016259895_100010167805 [2,0,0,0,0,0|2,0,0]=4 2330 B10R1.10 CC=Cc1cc(ccn1)F 271570a_100016259895_100009817058 [2,0,0,0,0,0|2,0,0]=4 2331 B10R1.10 CC=Cc1cc(ccn1)N 271570a_100016259895_100009814236 [2,0,0,0,0,0|2,0,0]=4 2332 B10R1.10 CC=Cc1cc(ccn1)O 271570a_100016259895_100000762945 [2,0,0,0,0,0|1,0,0]=3 2333 B10R1.10 CC=Cc1cc(cnn1)C 271570a_100016259895_100000070100 [2,0,0,0,0,0|2,0,0]=4 2334 B10R1.10 CC=Cc1cc(cnn1)O 271570a_100016259895_200010734679 [2,0,0,0,0,0|2,0,0]=4 2335 B10R1.10 CC=Cc1cc(ncn1)C 271570a_100016259895_100000744208 [2,0,0,0,0,0|2,0,0]=4 2336 B10R1.10 CC=Cc1cc(ncn1)O 271570a_100016259895_100000765262 [2,0,0,0,0,0|2,0,0]=4 2337 B10R1.10 CC=Cc1cc[nH]c(=O)c1 271570a_100016259895_100009816521 [2,0,0,0,0,0|1,0,1]=4 2338 B10R1.10 CC=Cc1ccc[n+](c1)C 271570a_100016259895_100009996589 [2,0,0,0,0,0|1,0,0]=3 2339 B10R1.10 CC=Cc1ccc[n+](c1)[O-] 271570a_100016259895_100009815978 [2,0,0,0,0,0|1,0,1]=4 2340 B10R1.10 CC=Cc1cccc(=O)[nH]1 271570a_100016259895_100000761760 [2,0,0,0,0,0|1,0,1]=4 2341 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [2,0,0,0,0,0|1,0,0]=3 2342 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [2,0,0,0,0,0|0,0,0]=2 2343 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [2,0,0,0,0,0|1,0,0]=3 2344 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [2,0,0,0,0,0|1,0,0]=3 2345 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [2,0,0,0,0,0|1,0,0]=3 2346 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [2,0,0,0,0,0|0,0,0]=2 2347 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [2,0,0,0,0,0|0,1,0]=3 2348 B10R1.10 CC=Cc1cccc(n1)Br 271570a_100016259895_100000684672 [2,0,0,0,0,0|2,0,0]=4 2349 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [2,0,0,0,0,0|1,0,0]=3 2350 B10R1.10 CC=Cc1cccc(n1)F 271570a_100016259895_100009815982 [2,0,0,0,0,0|2,0,0]=4 2351 B10R1.10 CC=Cc1cccc(n1)N 271570a_100016259895_100000740741 [2,0,0,0,0,0|2,0,0]=4 2352 B10R1.10 CC=Cc1ccnc(c1)Br 271570a_100016259895_100009814637 [2,0,0,0,0,0|2,0,0]=4 2353 B10R1.10 CC=Cc1ccnc(c1)C 271570a_100016259895_100000758586 [2,0,0,0,0,0|1,0,0]=3 2354 B10R1.10 CC=Cc1ccnc(c1)Cl 271570a_100016259895_100000035001 [2,0,0,0,0,0|2,0,0]=4 2355 B10R1.10 CC=Cc1ccnc(c1)F 271570a_100016259895_100009816116 [2,0,0,0,0,0|2,0,0]=4 2356 B10R1.10 CC=Cc1ccnc(c1)N 271570a_100016259895_100000744379 [2,0,0,0,0,0|2,0,0]=4 2357 B10R1.10 CC=Cc1ccnc(n1)C 271570a_100016259895_100000749937 [2,0,0,0,0,0|2,0,0]=4 2358 B10R1.10 CC=Cc1cncc(c1)Br 271570a_100016259895_100000728054 [2,0,0,0,0,0|2,0,0]=4 2359 B10R1.10 CC=Cc1cncc(c1)C 271570a_100016259895_100000760492 [2,0,0,0,0,0|1,0,0]=3 2360 B10R1.10 CC=Cc1cncc(c1)Cl 271570a_100016259895_100000049639 [2,0,0,0,0,0|2,0,0]=4 2361 B10R1.10 CC=Cc1cncc(c1)F 271570a_100016259895_100000744099 [2,0,0,0,0,0|2,0,0]=4 2362 B10R1.10 CC=Cc1cncc(c1)N 271570a_100016259895_100000687067 [2,0,0,0,0,0|2,0,0]=4 2363 B10R1.10 CC=Cc1cncc(c1)O 271570a_100016259895_100000754920 [2,0,0,0,0,0|1,0,0]=3 2364 B10R1.10 CC=Cc1cncc(n1)C 271570a_100016259895_100009842155 [2,0,0,0,0,0|2,0,0]=4 2365 B10R1.10 CC=Cc1cncc(n1)O 271570a_100016259895_100011269956 [2,0,0,0,0,0|2,0,0]=4 2366 B10R1.10 CC=Cc1nccc(n1)C 271570a_100016259895_100011243806 [2,0,0,0,0,0|2,0,0]=4 2367 B10R1.10 CC=Cc1nccc(n1)O 271570a_100016259895_100011649813 [2,0,0,0,0,0|2,0,0]=4 2368 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [2,0,0,0,0,0|0,0,2]=4 2369 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [2,0,0,0,0,0|1,0,1]=4 2370 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [2,0,0,0,0,0|1,0,1]=4 2371 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [2,0,0,0,0,0|1,0,1]=4 2372 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [2,0,0,0,0,0|1,0,1]=4 2373 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [2,0,0,0,0,0|1,0,1]=4 2374 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [2,0,0,0,0,0|1,0,1]=4 2375 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [2,0,0,0,0,0|1,0,1]=4 2376 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [2,0,0,0,0,0|1,0,1]=4 2377 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [2,0,0,0,0,0|1,0,1]=4 2378 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [2,0,0,0,0,0|1,0,1]=4 2379 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [2,0,0,0,0,0|1,0,1]=4 2380 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [2,0,0,0,0,0|1,0,1]=4 2381 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [2,0,0,0,0,0|1,0,1]=4 2382 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [2,0,0,0,0,0|1,0,1]=4 2383 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [2,0,0,0,0,0|1,0,1]=4 2384 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [2,0,0,0,0,0|1,0,1]=4 2385 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [2,0,0,0,0,0|1,0,1]=4 2386 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [2,0,0,0,0,0|1,0,1]=4 2387 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [2,0,0,0,0,0|1,0,1]=4 2388 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [2,0,0,0,0,0|1,0,1]=4 2389 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [2,0,0,0,0,0|1,0,1]=4 2390 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [2,0,0,0,0,0|1,0,1]=4 2391 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [2,0,0,0,0,0|1,0,1]=4 2392 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [2,0,0,0,0,0|1,0,1]=4 2393 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [2,0,0,0,0,0|1,0,1]=4 2394 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [2,0,0,0,0,0|1,0,1]=4 2395 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [2,0,0,0,0,0|1,0,1]=4 2396 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [2,0,0,0,0,0|1,0,1]=4 2397 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [2,0,0,0,0,0|1,0,1]=4 2398 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [2,0,0,0,0,0|1,0,1]=4 2399 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [2,0,0,0,0,0|1,0,1]=4 2400 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [2,0,0,0,0,0|1,0,1]=4 2401 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [2,0,0,0,0,0|1,0,1]=4 2402 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [2,0,0,0,0,0|1,0,1]=4 2403 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [2,0,0,0,0,0|1,0,1]=4 2404 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [2,0,0,0,0,0|1,0,1]=4 2405 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [2,0,0,0,0,0|1,0,1]=4 2406 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [2,0,0,0,0,0|1,0,1]=4 2407 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [2,0,0,0,0,0|1,0,1]=4 2408 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [2,0,0,0,0,0|1,0,1]=4 2409 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [2,0,0,0,0,0|1,0,1]=4 2410 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [2,0,0,0,0,0|1,0,1]=4 2411 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [2,0,0,0,0,0|1,0,1]=4 2412 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [2,0,0,0,0,0|1,0,1]=4 2413 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [2,0,0,0,0,0|1,0,1]=4 2414 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [2,0,0,0,0,0|1,0,1]=4 2415 B10R1.172 C#Cc1cccc(c1)OC 34a_100011216014_200000210301 [2,0,0,0,0,0|0,0,2]=4 2416 B10R1.172 C#Cc1cccc(c1)OC 7a_100011216014_200000210301 [2,0,0,0,0,0|0,0,2]=4 2417 B10R1.172 C#Cc1cccc(c1)O[13CH3] 34a_100011216014_200025704644 [2,0,0,0,0,0|0,0,2]=4 2418 B10R1.172 C#Cc1cccc(c1)O[13CH3] 7a_100011216014_200025704644 [2,0,0,0,0,0|0,0,2]=4 2419 B10R1.172 C=Cc1cc(ccn1)CC 271570a_100011290941_100009817561 [2,0,0,0,0,0|2,0,0]=4 2420 B10R1.172 C=Cc1cc(ccn1)NC 271570a_100011290941_100009869472 [2,0,0,0,0,0|2,0,0]=4 2421 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [2,0,0,0,0,0|1,0,0]=3 2422 B10R1.172 C=Cc1cc(ccn1)SC 271570a_100011290941_100010883326 [2,0,0,0,0,0|1,1,0]=4 2423 B10R1.172 C=Cc1cc(ccn1)SC 62a_100009845566_200000210301 [2,0,0,0,0,0|1,1,0]=4 2424 B10R1.172 C=Cc1cc(ccn1)SC 62a_200000210301_100009845566 [2,0,0,0,0,0|1,1,0]=4 2425 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_100009845566_200025704644 [2,0,0,0,0,0|1,1,0]=4 2426 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_200025704644_100009845566 [2,0,0,0,0,0|1,1,0]=4 2427 B10R1.172 C=Cc1cc(cnn1)OC 271570a_100011290941_100000087634 [2,0,0,0,0,0|2,0,0]=4 2428 B10R1.172 C=Cc1cc(ncn1)OC 271570a_100011290941_100012187182 [2,0,0,0,0,0|2,0,0]=4 2429 B10R1.172 C=Cc1cccc(c1)C#N 271570a_100011290941_100000189340 [2,0,0,0,0,0|2,0,0]=4 2430 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [2,0,0,0,0,0|2,0,0]=4 2431 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [2,0,0,0,0,0|1,0,0]=3 2432 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [2,0,0,0,0,0|2,0,0]=4 2433 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [2,0,0,0,0,0|2,0,0]=4 2434 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [2,0,0,0,0,0|2,0,0]=4 2435 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [2,0,0,0,0,0|1,0,0]=3 2436 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [2,0,0,0,0,0|1,0,0]=3 2437 B10R1.172 C=Cc1cccc(c1)NN 271570a_100011290941_100000217339 [2,0,0,0,0,0|2,0,0]=4 2438 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [2,0,0,0,0,0|1,0,0]=3 2439 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [2,0,0,0,0,0|0,0,0]=2 2440 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [2,0,0,0,0,0|0,0,0]=2 2441 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [2,0,0,0,0,0|0,0,0]=2 2442 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [2,0,0,0,0,0|0,0,0]=2 2443 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [2,0,0,0,0,0|0,0,0]=2 2444 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [2,0,0,0,0,0|0,1,0]=3 2445 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [2,0,0,0,0,0|0,1,0]=3 2446 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [2,0,0,0,0,0|0,1,0]=3 2447 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [2,0,0,0,0,0|0,1,0]=3 2448 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [2,0,0,0,0,0|0,1,0]=3 2449 B10R1.172 C=Cc1cccc(n1)CC 271570a_100011290941_100009856026 [2,0,0,0,0,0|2,0,0]=4 2450 B10R1.172 C=Cc1cccc(n1)NC 271570a_100011290941_100000703281 [2,0,0,0,0,0|2,0,0]=4 2451 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [2,0,0,0,0,0|1,0,0]=3 2452 B10R1.172 C=Cc1cccc(n1)SC 271570a_100011290941_100011960944 [2,0,0,0,0,0|1,1,0]=4 2453 B10R1.172 C=Cc1ccnc(c1)CC 271570a_100011290941_100009820011 [2,0,0,0,0,0|2,0,0]=4 2454 B10R1.172 C=Cc1ccnc(c1)NC 271570a_100011290941_100009819592 [2,0,0,0,0,0|2,0,0]=4 2455 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [2,0,0,0,0,0|1,0,0]=3 2456 B10R1.172 C=Cc1ccnc(n1)OC 271570a_100011290941_100000069072 [2,0,0,0,0,0|2,0,0]=4 2457 B10R1.172 C=Cc1cncc(c1)CC 271570a_100011290941_200009819073 [2,0,0,0,0,0|2,0,0]=4 2458 B10R1.172 C=Cc1cncc(c1)NC 271570a_100011290941_100012184536 [2,0,0,0,0,0|2,0,0]=4 2459 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [2,0,0,0,0,0|1,0,0]=3 2460 B10R1.172 C=Cc1cncc(c1)SC 271570a_100011290941_100009816972 [2,0,0,0,0,0|1,1,0]=4 2461 B10R1.172 C=Cc1cncc(c1)SC 62a_200000210301_200012180632 [2,0,0,0,0,0|1,1,0]=4 2462 B10R1.172 C=Cc1cncc(c1)SC 62a_200012180632_200000210301 [2,0,0,0,0,0|1,1,0]=4 2463 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200012180632_200025704644 [2,0,0,0,0,0|1,1,0]=4 2464 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200025704644_200012180632 [2,0,0,0,0,0|1,1,0]=4 2465 B10R1.172 C=Cc1cncc(n1)OC 271570a_100011290941_100000756030 [2,0,0,0,0,0|2,0,0]=4 2466 B10R1.172 C=Cc1nccc(n1)OC 271570a_100011290941_100000182009 [2,0,0,0,0,0|2,0,0]=4 2467 B10R1.172 CC[n+]1cccc(c1)OC 34a_100000731997_200000210301 [2,0,0,0,0,0|1,0,1]=4 2468 B10R1.172 CC[n+]1cccc(c1)OC 7a_100000731997_200000210301 [2,0,0,0,0,0|1,0,1]=4 2469 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 34a_100000731997_200025704644 [2,0,0,0,0,0|1,0,1]=4 2470 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 7a_100000731997_200025704644 [2,0,0,0,0,0|1,0,1]=4 2471 B10R1.172 CCc1cccc(c1)NC 2230a_100000211250_200000210301 [2,0,0,0,0,0|1,0,1]=4 2472 B10R1.172 CCc1cccc(c1)NC 34a_100000211250_200000210301 [2,0,0,0,0,0|1,0,1]=4 2473 B10R1.172 CCc1cccc(c1)NC 7a_100000211250_200000210301 [2,0,0,0,0,0|1,0,1]=4 2474 B10R1.172 CCc1cccc(c1)N[13CH3] 2230a_100000211250_200025704644 [2,0,0,0,0,0|1,0,1]=4 2475 B10R1.172 CCc1cccc(c1)N[13CH3] 34a_100000211250_200025704644 [2,0,0,0,0,0|1,0,1]=4 2476 B10R1.172 CCc1cccc(c1)N[13CH3] 7a_100000211250_200025704644 [2,0,0,0,0,0|1,0,1]=4 2477 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [2,0,0,0,0,0|0,0,1]=3 2478 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [2,0,0,0,0,0|0,0,1]=3 2479 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [2,0,0,0,0,0|0,0,1]=3 2480 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [2,0,0,0,0,0|0,0,1]=3 2481 B10R1.172 CCc1cccc(c1)SC 62a_100011263222_200000210301 [2,0,0,0,0,0|0,1,1]=4 2482 B10R1.172 CCc1cccc(c1)SC 62a_200000210301_100011263222 [2,0,0,0,0,0|0,1,1]=4 2483 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_100011263222_200025704644 [2,0,0,0,0,0|0,1,1]=4 2484 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_200025704644_100011263222 [2,0,0,0,0,0|0,1,1]=4 2485 B10R1.172 CCc1cncc(c1)OC 34a_200009861530_200000210301 [2,0,0,0,0,0|1,0,1]=4 2486 B10R1.172 CCc1cncc(c1)OC 7a_200009861530_200000210301 [2,0,0,0,0,0|1,0,1]=4 2487 B10R1.172 CCc1cncc(c1)O[13CH3] 34a_200009861530_200025704644 [2,0,0,0,0,0|1,0,1]=4 2488 B10R1.172 CCc1cncc(c1)O[13CH3] 7a_200009861530_200025704644 [2,0,0,0,0,0|1,0,1]=4 2489 B10R1.172 CNc1cccc(c1)OC 34a_100000210024_200000210301 [2,0,0,0,0,0|1,0,0]=3 2490 B10R1.172 CNc1cccc(c1)OC 34a_100000756613_200000210301 [2,0,0,0,0,0|1,0,0]=3 2491 B10R1.172 CNc1cccc(c1)OC 7a_100000756613_200000210301 [2,0,0,0,0,0|1,0,0]=3 2492 B10R1.172 CNc1cccc(c1)O[13CH3] 34a_100000756613_200025704644 [2,0,0,0,0,0|1,0,0]=3 2493 B10R1.172 CNc1cccc(c1)O[13CH3] 7a_100000756613_200025704644 [2,0,0,0,0,0|1,0,0]=3 2494 B10R1.172 CNc1cccc(c1)SC 2230a_100000210049_200000210301 [2,0,0,0,0,0|1,1,0]=4 2495 B10R1.172 CNc1cccc(c1)SC 34a_100000210049_200000210301 [2,0,0,0,0,0|1,1,0]=4 2496 B10R1.172 CNc1cccc(c1)SC 62a_100000219648_200000210301 [2,0,0,0,0,0|1,1,0]=4 2497 B10R1.172 CNc1cccc(c1)SC 62a_200000210301_100000219648 [2,0,0,0,0,0|1,1,0]=4 2498 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_100000219648_200025704644 [2,0,0,0,0,0|1,1,0]=4 2499 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_200025704644_100000219648 [2,0,0,0,0,0|1,1,0]=4 2500 B10R1.172 COc1cc(ccn1)O[13CH3] 34a_100012181050_200025704644 [2,0,0,0,0,0|2,0,0]=4 2501 B10R1.172 COc1cc(ccn1)SC 62a_100000117307_200000210301 [2,0,0,0,0,0|2,0,0]=4 2502 B10R1.172 COc1cc(ccn1)SC 62a_200000210301_100000117307 [2,0,0,0,0,0|2,0,0]=4 2503 B10R1.172 COc1cc(ccn1)S[13CH3] 62a_100000117307_200025704644 [2,0,0,0,0,0|2,0,0]=4 2504 B10R1.172 COc1cc(ccn1)S[13CH3] 62a_200025704644_100000117307 [2,0,0,0,0,0|2,0,0]=4 2505 B10R1.172 COc1cccc(c1)C#N 34a_100000184713_200000210301 [2,0,0,0,0,0|1,0,1]=4 2506 B10R1.172 COc1cccc(c1)C#N 7a_100000184713_200000210301 [2,0,0,0,0,0|1,0,1]=4 2507 B10R1.172 COc1cccc(c1)CBr 34a_100011660834_200000210301 [2,0,0,0,0,0|1,0,1]=4 2508 B10R1.172 COc1cccc(c1)CBr 7a_100011660834_200000210301 [2,0,0,0,0,0|1,0,1]=4 2509 B10R1.172 COc1cccc(c1)CCl 34a_100000084143_200000210301 [2,0,0,0,0,0|1,0,1]=4 2510 B10R1.172 COc1cccc(c1)CCl 7a_100000084143_200000210301 [2,0,0,0,0,0|1,0,1]=4 2511 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [2,0,0,0,0,0|1,0,1]=4 2512 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [2,0,0,0,0,0|1,0,1]=4 2513 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [2,0,0,0,0,0|1,0,1]=4 2514 B10R1.172 COc1cccc(c1)N[13CH3] 34a_100000210024_200025704644 [2,0,0,0,0,0|1,0,0]=3 2515 B10R1.172 COc1cccc(c1)OC 34a_100000211255_200000210301 [2,0,0,0,0,0|1,0,0]=3 2516 B10R1.172 COc1cccc(c1)OC 7a_100000211255_200000210301 [2,0,0,0,0,0|1,0,0]=3 2517 B10R1.172 COc1cccc(c1)O[13CH3] 34a_100000211255_200025704644 [2,0,0,0,0,0|1,0,0]=3 2518 B10R1.172 COc1cccc(c1)O[13CH3] 7a_100000211255_200025704644 [2,0,0,0,0,0|1,0,0]=3 2519 B10R1.172 COc1cccc(c1)SC 34a_100011265683_200000210301 [2,0,0,0,0,0|1,0,0]=3 2520 B10R1.172 COc1cccc(c1)SC 62a_200000210301_100000170001 [2,0,0,0,0,0|1,0,0]=3 2521 B10R1.172 COc1cccc(c1)SC 7a_100011265683_200000210301 [2,0,0,0,0,0|1,0,0]=3 2522 B10R1.172 COc1cccc(c1)S[13CH3] 62a_200025704644_100000170001 [2,0,0,0,0,0|1,0,0]=3 2523 B10R1.172 COc1cccc(n1)SC 62a_100000760917_200000210301 [2,0,0,0,0,0|2,0,0]=4 2524 B10R1.172 COc1cccc(n1)SC 62a_200000210301_100000760917 [2,0,0,0,0,0|2,0,0]=4 2525 B10R1.172 COc1cccc(n1)S[13CH3] 62a_100000760917_200025704644 [2,0,0,0,0,0|2,0,0]=4 2526 B10R1.172 COc1cccc(n1)S[13CH3] 62a_200025704644_100000760917 [2,0,0,0,0,0|2,0,0]=4 2527 B10R1.172 COc1ccnc(c1)OC 34a_100012181050_200000210301 [2,0,0,0,0,0|2,0,0]=4 2528 B10R1.172 COc1ccnc(c1)SC 62a_100009817693_200000210301 [2,0,0,0,0,0|2,0,0]=4 2529 B10R1.172 COc1ccnc(c1)SC 62a_200000210301_100011216251 [2,0,0,0,0,0|2,0,0]=4 2530 B10R1.172 COc1ccnc(c1)S[13CH3] 62a_100009817693_200025704644 [2,0,0,0,0,0|2,0,0]=4 2531 B10R1.172 COc1ccnc(c1)S[13CH3] 62a_200025704644_100011216251 [2,0,0,0,0,0|2,0,0]=4 2532 B10R1.172 COc1cncc(c1)OC 34a_100000084572_200000210301 [2,0,0,0,0,0|2,0,0]=4 2533 B10R1.172 COc1cncc(c1)OC 7a_100000084572_200000210301 [2,0,0,0,0,0|2,0,0]=4 2534 B10R1.172 COc1cncc(c1)O[13CH3] 34a_100000084572_200025704644 [2,0,0,0,0,0|2,0,0]=4 2535 B10R1.172 COc1cncc(c1)O[13CH3] 7a_100000084572_200025704644 [2,0,0,0,0,0|2,0,0]=4 2536 B10R1.172 COc1cncc(c1)SC 62a_100000050176_200000210301 [2,0,0,0,0,0|2,0,0]=4 2537 B10R1.172 COc1cncc(c1)SC 62a_200000210301_100000050176 [2,0,0,0,0,0|2,0,0]=4 2538 B10R1.172 COc1cncc(c1)S[13CH3] 62a_100000050176_200025704644 [2,0,0,0,0,0|2,0,0]=4 2539 B10R1.172 COc1cncc(c1)S[13CH3] 62a_200025704644_100000050176 [2,0,0,0,0,0|2,0,0]=4 2540 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [2,0,0,0,0,0|1,1,0]=4 2541 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [2,0,0,0,0,0|1,1,0]=4 2542 B10R1.172 CSc1cccc(c1)N[13CH3] 2230a_100000210049_200025704644 [2,0,0,0,0,0|1,1,0]=4 2543 B10R1.172 CSc1cccc(c1)N[13CH3] 34a_100000210049_200025704644 [2,0,0,0,0,0|1,1,0]=4 2544 B10R1.172 CSc1cccc(c1)O[13CH3] 34a_100011265683_200025704644 [2,0,0,0,0,0|1,0,0]=3 2545 B10R1.172 CSc1cccc(c1)O[13CH3] 7a_100011265683_200025704644 [2,0,0,0,0,0|1,0,0]=3 2546 B10R1.172 CSc1cccc(c1)SC 62a_100011215954_200000210301 [2,0,0,0,0,0|1,1,0]=4 2547 B10R1.172 CSc1cccc(c1)SC 62a_200000210301_100011215954 [2,0,0,0,0,0|1,1,0]=4 2548 B10R1.172 CSc1cccc(c1)S[13CH3] 62a_100011215954_200025704644 [2,0,0,0,0,0|1,1,0]=4 2549 B10R1.172 CSc1cccc(c1)S[13CH3] 62a_200025704644_100011215954 [2,0,0,0,0,0|1,1,0]=4 2550 B10R1.172 [13CH3]Oc1cccc(c1)C#N 34a_100000184713_200025704644 [2,0,0,0,0,0|1,0,1]=4 2551 B10R1.172 [13CH3]Oc1cccc(c1)C#N 7a_100000184713_200025704644 [2,0,0,0,0,0|1,0,1]=4 2552 B10R1.172 [13CH3]Oc1cccc(c1)CBr 34a_100011660834_200025704644 [2,0,0,0,0,0|1,0,1]=4 2553 B10R1.172 [13CH3]Oc1cccc(c1)CBr 7a_100011660834_200025704644 [2,0,0,0,0,0|1,0,1]=4 2554 B10R1.172 [13CH3]Oc1cccc(c1)CCl 34a_100000084143_200025704644 [2,0,0,0,0,0|1,0,1]=4 2555 B10R1.172 [13CH3]Oc1cccc(c1)CCl 7a_100000084143_200025704644 [2,0,0,0,0,0|1,0,1]=4 2556 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [2,0,0,0,0,0|1,0,1]=4 2557 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [2,0,0,0,0,0|1,0,1]=4 2558 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [2,0,0,0,0,0|1,0,1]=4 2559 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [2,0,0,0,0,0|1,1,0]=4 2560 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [2,0,0,0,0,0|1,1,0]=4 2561 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [2,0,0,0,0,0|0,0,0]=2 2562 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [2,0,0,0,0,0|0,0,2]=4 2563 B10R1.1 CC=Cc1cc[n+](cc1)[O-] 271570a_100016259895_100000039755 [2,0,0,0,0,0|1,0,1]=4 2564 B10R1.1 CC=Cc1ccc(=O)[nH]c1 271570a_100016259895_100000212171 [2,0,0,0,0,0|1,0,1]=4 2565 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [2,0,0,0,0,0|1,0,0]=3 2566 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [2,0,0,0,0,0|1,0,0]=3 2567 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [2,0,0,0,0,0|1,0,0]=3 2568 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [2,0,0,0,0,0|1,0,0]=3 2569 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [2,0,0,0,0,0|1,0,0]=3 2570 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [2,0,0,0,0,0|0,0,0]=2 2571 B10R1.1 CC=Cc1ccc(cn1)Br 271570a_100016259895_100000686858 [2,0,0,0,0,0|2,0,0]=4 2572 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [2,0,0,0,0,0|2,0,0]=4 2573 B10R1.1 CC=Cc1ccc(cn1)Cl 271570a_100016259895_100011356976 [2,0,0,0,0,0|2,0,0]=4 2574 B10R1.1 CC=Cc1ccc(cn1)F 271570a_100016259895_100000744514 [2,0,0,0,0,0|2,0,0]=4 2575 B10R1.1 CC=Cc1ccc(cn1)N 271570a_100016259895_100000744251 [2,0,0,0,0,0|2,0,0]=4 2576 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [2,0,0,0,0,0|1,0,0]=3 2577 B10R1.1 CC=Cc1ccc(nc1)Br 271570a_100016259895_100009814638 [2,0,0,0,0,0|2,0,0]=4 2578 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [2,0,0,0,0,0|2,0,0]=4 2579 B10R1.1 CC=Cc1ccc(nc1)Cl 271570a_100016259895_100000034144 [2,0,0,0,0,0|2,0,0]=4 2580 B10R1.1 CC=Cc1ccc(nc1)F 271570a_100016259895_100000748661 [2,0,0,0,0,0|2,0,0]=4 2581 B10R1.1 CC=Cc1ccc(nc1)N 271570a_100016259895_100000187370 [2,0,0,0,0,0|2,0,0]=4 2582 B10R1.1 CC=Cc1ncc(cn1)O 271570a_100016259895_100000730009 [2,0,0,0,0,0|2,0,0]=4 2583 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [2,0,0,0,0,0|0,0,2]=4 2584 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [2,0,0,0,0,0|1,0,1]=4 2585 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [2,0,0,0,0,0|1,0,1]=4 2586 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [2,0,0,0,0,0|1,0,1]=4 2587 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [2,0,0,0,0,0|1,0,1]=4 2588 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [2,0,0,0,0,0|1,0,1]=4 2589 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [2,0,0,0,0,0|1,0,1]=4 2590 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [2,0,0,0,0,0|1,0,1]=4 2591 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [2,0,0,0,0,0|1,0,1]=4 2592 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [2,0,0,0,0,0|1,0,1]=4 2593 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [2,0,0,0,0,0|1,0,0]=3 2594 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [2,0,0,0,0,0|1,0,1]=4 2595 B10R1.176 C=Cc1c[nH]c(=O)c(c1)O 271570a_100011290941_100009814561 [2,0,0,0,0,0|1,0,1]=4 2596 B10R1.176 C=Cc1cc(c(cn1)Br)C 271570a_100011290941_100012356354 [2,0,0,0,0,0|2,0,0]=4 2597 B10R1.176 C=Cc1cc(c(cn1)C)C 271570a_100011290941_100009850809 [2,0,0,0,0,0|2,0,0]=4 2598 B10R1.176 C=Cc1cc(c(cn1)C)O 271570a_100011290941_100000704368 [2,0,0,0,0,0|2,0,0]=4 2599 B10R1.176 C=Cc1cc(c(cn1)F)C 271570a_100011290941_100009818257 [2,0,0,0,0,0|2,0,0]=4 2600 B10R1.176 C=Cc1cc(c(cn1)F)O 271570a_100011290941_100009854642 [2,0,0,0,0,0|2,0,0]=4 2601 B10R1.176 C=Cc1cc(c(cn1)N)C 271570a_100011290941_100000765520 [2,0,0,0,0,0|2,0,0]=4 2602 B10R1.176 C=Cc1cc(c(cn1)O)C 271570a_100011290941_100000692680 [2,0,0,0,0,0|1,0,0]=3 2603 B10R1.176 C=Cc1cc(c(cn1)O)N 271570a_100011290941_100009819941 [2,0,0,0,0,0|2,0,0]=4 2604 B10R1.176 C=Cc1ccc(=O)n(c1)C 271570a_100011290941_100011245003 [2,0,0,0,0,0|1,0,1]=4 2605 B10R1.176 C=Cc1ccc(c(c1)Br)Br 271570a_100011290941_100012356285 [2,0,0,0,0,0|2,0,0]=4 2606 B10R1.176 C=Cc1ccc(c(c1)Br)C 271570a_100011290941_100011847877 [2,0,0,0,0,0|2,0,0]=4 2607 B10R1.176 C=Cc1ccc(c(c1)Br)Cl 271570a_100011290941_100012353702 [2,0,0,0,0,0|2,0,0]=4 2608 B10R1.176 C=Cc1ccc(c(c1)Br)F 271570a_100011290941_100012047266 [2,0,0,0,0,0|2,0,0]=4 2609 B10R1.176 C=Cc1ccc(c(c1)Br)N 271570a_100011290941_100000750455 [2,0,0,0,0,0|2,0,0]=4 2610 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [2,0,0,0,0,0|1,0,0]=3 2611 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [2,0,0,0,0,0|1,0,0]=3 2612 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [2,0,0,0,0,0|1,0,0]=3 2613 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [2,0,0,0,0,0|1,0,0]=3 2614 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [2,0,0,0,0,0|1,0,0]=3 2615 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [2,0,0,0,0,0|1,0,0]=3 2616 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [2,0,0,0,0,0|0,0,0]=2 2617 B10R1.176 C=Cc1ccc(c(c1)Cl)Br 271570a_100011290941_100012047281 [2,0,0,0,0,0|2,0,0]=4 2618 B10R1.176 C=Cc1ccc(c(c1)Cl)C 271570a_100011290941_100011216363 [2,0,0,0,0,0|2,0,0]=4 2619 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl 271570a_100011290941_100011214914 [2,0,0,0,0,0|2,0,0]=4 2620 B10R1.176 C=Cc1ccc(c(c1)Cl)F 271570a_100011290941_100011215976 [2,0,0,0,0,0|2,0,0]=4 2621 B10R1.176 C=Cc1ccc(c(c1)Cl)N 271570a_100011290941_100011218065 [2,0,0,0,0,0|2,0,0]=4 2622 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [2,0,0,0,0,0|1,0,0]=3 2623 B10R1.176 C=Cc1ccc(c(c1)F)Br 271570a_100011290941_100000685389 [2,0,0,0,0,0|2,0,0]=4 2624 B10R1.176 C=Cc1ccc(c(c1)F)C 271570a_100011290941_100000720648 [2,0,0,0,0,0|2,0,0]=4 2625 B10R1.176 C=Cc1ccc(c(c1)F)Cl 271570a_100011290941_100011216805 [2,0,0,0,0,0|2,0,0]=4 2626 B10R1.176 C=Cc1ccc(c(c1)F)F 271570a_100011290941_100000750028 [2,0,0,0,0,0|2,0,0]=4 2627 B10R1.176 C=Cc1ccc(c(c1)F)N 271570a_100011290941_100011215594 [2,0,0,0,0,0|2,0,0]=4 2628 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [2,0,0,0,0,0|1,0,0]=3 2629 B10R1.176 C=Cc1ccc(c(c1)N)Br 271570a_100011290941_100000750456 [2,0,0,0,0,0|2,0,0]=4 2630 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [2,0,0,0,0,0|2,0,0]=4 2631 B10R1.176 C=Cc1ccc(c(c1)N)Cl 271570a_100011290941_200000761891 [2,0,0,0,0,0|2,0,0]=4 2632 B10R1.176 C=Cc1ccc(c(c1)N)F 271570a_100011290941_100000740924 [2,0,0,0,0,0|2,0,0]=4 2633 B10R1.176 C=Cc1ccc(c(c1)N)N 271570a_100011290941_100000741789 [2,0,0,0,0,0|2,0,0]=4 2634 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [2,0,0,0,0,0|1,0,0]=3 2635 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [2,0,0,0,0,0|1,0,0]=3 2636 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [2,0,0,0,0,0|1,0,0]=3 2637 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [2,0,0,0,0,0|1,0,0]=3 2638 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [2,0,0,0,0,0|1,0,0]=3 2639 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [2,0,0,0,0,0|1,0,0]=3 2640 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [2,0,0,0,0,0|0,0,0]=2 2641 B10R1.176 C=Cc1ccc(c(n1)Br)O 271570a_100011290941_100000725334 [2,0,0,0,0,0|2,0,0]=4 2642 B10R1.176 C=Cc1ccc(c(n1)C)Br 271570a_100011290941_100012360386 [2,0,0,0,0,0|2,0,0]=4 2643 B10R1.176 C=Cc1ccc(c(n1)C)C 271570a_100011290941_100000103781 [2,0,0,0,0,0|2,0,0]=4 2644 B10R1.176 C=Cc1ccc(c(n1)C)F 271570a_100011290941_100009814307 [2,0,0,0,0,0|2,0,0]=4 2645 B10R1.176 C=Cc1ccc(c(n1)C)N 271570a_100011290941_100000760127 [2,0,0,0,0,0|2,0,0]=4 2646 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [2,0,0,0,0,0|1,0,0]=3 2647 B10R1.176 C=Cc1ccc(c(n1)Cl)O 271570a_100011290941_100000721234 [2,0,0,0,0,0|2,0,0]=4 2648 B10R1.176 C=Cc1ccc(c(n1)F)O 271570a_100011290941_100009819667 [2,0,0,0,0,0|2,0,0]=4 2649 B10R1.176 C=Cc1ccc(c(n1)N)O 271570a_100011290941_100000685527 [2,0,0,0,0,0|2,0,0]=4 2650 B10R1.176 C=Cc1ccc(c(n1)O)F 271570a_100011290941_100010729010 [2,0,0,0,0,0|2,0,0]=4 2651 B10R1.176 C=Cc1ccc(c(n1)O)N 271570a_100011290941_100000718904 [2,0,0,0,0,0|2,0,0]=4 2652 B10R1.176 C=Cc1cnc(c(c1)C)Br 271570a_100011290941_100009816107 [2,0,0,0,0,0|2,0,0]=4 2653 B10R1.176 C=Cc1cnc(c(c1)C)C 271570a_100011290941_100000697892 [2,0,0,0,0,0|2,0,0]=4 2654 B10R1.176 C=Cc1cnc(c(c1)C)Cl 271570a_100011290941_100009922867 [2,0,0,0,0,0|2,0,0]=4 2655 B10R1.176 C=Cc1cnc(c(c1)C)F 271570a_100011290941_100000709442 [2,0,0,0,0,0|2,0,0]=4 2656 B10R1.176 C=Cc1cnc(c(c1)C)N 271570a_100011290941_100000186686 [2,0,0,0,0,0|2,0,0]=4 2657 B10R1.176 C=Cc1cnc(c(c1)C)O 271570a_100011290941_100000685391 [2,0,0,0,0,0|1,0,0]=3 2658 B10R1.176 C=Cc1cnc(c(c1)Cl)O 271570a_100011290941_100010238531 [2,0,0,0,0,0|2,0,0]=4 2659 B10R1.176 C=Cc1cnc(c(c1)N)O 271570a_100011290941_100000743729 [2,0,0,0,0,0|2,0,0]=4 2660 B10R1.176 C=Cc1cnc(c(c1)O)C 271570a_100011290941_100009864810 [2,0,0,0,0,0|2,0,0]=4 2661 B10R1.176 C=Cc1cnc(c(c1)O)F 271570a_100011290941_100009819871 [2,0,0,0,0,0|2,0,0]=4 2662 B10R1.176 C=Cc1cnc(c(c1)O)N 271570a_100011290941_100009819042 [2,0,0,0,0,0|2,0,0]=4 2663 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [2,0,0,0,0,0|1,0,1]=4 2664 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [2,0,0,0,0,0|1,0,1]=4 2665 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [2,0,0,0,0,0|1,0,1]=4 2666 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [2,0,0,0,0,0|1,0,1]=4 2667 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [2,0,0,0,0,0|0,0,1]=3 2668 B10R1.176 CNc1cc(c(cn1)O)C 271570a_203496583355_100012352278 [2,0,0,0,0,0|2,0,0]=4 2669 B10R1.176 CNc1ccc(c(c1)Br)O 34a_100011534360_200000210301 [2,0,0,0,0,0|2,0,0]=4 2670 B10R1.176 CNc1ccc(c(c1)C)Br 2230a_100000210723_200000210301 [2,0,0,0,0,0|2,0,0]=4 2671 B10R1.176 CNc1ccc(c(c1)C)Br 34a_100000210723_200000210301 [2,0,0,0,0,0|2,0,0]=4 2672 B10R1.176 CNc1ccc(c(c1)C)Br 7a_100000210723_200000210301 [2,0,0,0,0,0|2,0,0]=4 2673 B10R1.176 CNc1ccc(c(c1)C)C 2230a_100000724040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2674 B10R1.176 CNc1ccc(c(c1)C)C 34a_100000724040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2675 B10R1.176 CNc1ccc(c(c1)C)C 7a_100000724040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2676 B10R1.176 CNc1ccc(c(c1)C)Cl 2230a_100000187808_200000210301 [2,0,0,0,0,0|2,0,0]=4 2677 B10R1.176 CNc1ccc(c(c1)C)Cl 34a_100000187808_200000210301 [2,0,0,0,0,0|2,0,0]=4 2678 B10R1.176 CNc1ccc(c(c1)C)Cl 7a_100000187808_200000210301 [2,0,0,0,0,0|2,0,0]=4 2679 B10R1.176 CNc1ccc(c(c1)C)F 2230a_100000750164_200000210301 [2,0,0,0,0,0|2,0,0]=4 2680 B10R1.176 CNc1ccc(c(c1)C)F 34a_100000750164_200000210301 [2,0,0,0,0,0|2,0,0]=4 2681 B10R1.176 CNc1ccc(c(c1)C)F 7a_100000750164_200000210301 [2,0,0,0,0,0|2,0,0]=4 2682 B10R1.176 CNc1ccc(c(c1)C)I 34a_100000198070_200000210301 [2,0,0,0,0,0|2,0,0]=4 2683 B10R1.176 CNc1ccc(c(c1)C)I 7a_100000198070_200000210301 [2,0,0,0,0,0|2,0,0]=4 2684 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [2,0,0,0,0,0|1,0,0]=3 2685 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [2,0,0,0,0,0|1,0,0]=3 2686 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [2,0,0,0,0,0|1,0,0]=3 2687 B10R1.176 CNc1ccc(c(c1)Cl)O 34a_100000744943_200000210301 [2,0,0,0,0,0|2,0,0]=4 2688 B10R1.176 CNc1ccc(c(c1)F)O 271570a_203496583355_100012285320 [2,0,0,0,0,0|2,0,0]=4 2689 B10R1.176 CNc1ccc(c(c1)F)O 34a_100011220035_200000210301 [2,0,0,0,0,0|2,0,0]=4 2690 B10R1.176 CNc1ccc(c(c1)F)O 7a_100011220035_200000210301 [2,0,0,0,0,0|2,0,0]=4 2691 B10R1.176 CNc1ccc(c(c1)O)C 271570a_203496583355_100000707694 [2,0,0,0,0,0|2,0,0]=4 2692 B10R1.176 CNc1ccc(c(c1)O)C 34a_100000759471_200000210301 [2,0,0,0,0,0|2,0,0]=4 2693 B10R1.176 CNc1ccc(c(c1)O)C 7a_100000759471_200000210301 [2,0,0,0,0,0|2,0,0]=4 2694 B10R1.176 CNc1ccc(c(c1)O)Cl 34a_100011934209_200000210301 [2,0,0,0,0,0|2,0,0]=4 2695 B10R1.176 CNc1ccc(c(c1)O)F 34a_100012017398_200000210301 [2,0,0,0,0,0|2,0,0]=4 2696 B10R1.176 CNc1ccc(c(c1)O)F 7a_100012017398_200000210301 [2,0,0,0,0,0|2,0,0]=4 2697 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [2,0,0,0,0,0|1,0,0]=3 2698 B10R1.176 COc1cc(c(cn1)O)C 271570a_203496583355_100011934368 [2,0,0,0,0,0|2,0,0]=4 2699 B10R1.176 COc1cc(c(cn1)O)O 271570a_203496583355_100010738159 [2,0,0,0,0,0|2,0,0]=4 2700 B10R1.176 COc1ccc(c(c1)Br)O 271570a_203496583355_100012349170 [2,0,0,0,0,0|2,0,0]=4 2701 B10R1.176 COc1ccc(c(c1)C)Br 34a_100000690111_200000210301 [2,0,0,0,0,0|2,0,0]=4 2702 B10R1.176 COc1ccc(c(c1)C)Br 7a_100000690111_200000210301 [2,0,0,0,0,0|2,0,0]=4 2703 B10R1.176 COc1ccc(c(c1)C)C 34a_100000210932_200000210301 [2,0,0,0,0,0|2,0,0]=4 2704 B10R1.176 COc1ccc(c(c1)C)C 7a_100000210932_200000210301 [2,0,0,0,0,0|2,0,0]=4 2705 B10R1.176 COc1ccc(c(c1)C)Cl 34a_100000211092_200000210301 [2,0,0,0,0,0|2,0,0]=4 2706 B10R1.176 COc1ccc(c(c1)C)Cl 7a_100000211092_200000210301 [2,0,0,0,0,0|2,0,0]=4 2707 B10R1.176 COc1ccc(c(c1)C)F 34a_100000751312_200000210301 [2,0,0,0,0,0|2,0,0]=4 2708 B10R1.176 COc1ccc(c(c1)C)F 7a_100000751312_200000210301 [2,0,0,0,0,0|2,0,0]=4 2709 B10R1.176 COc1ccc(c(c1)C)I 34a_100000729255_200000210301 [2,0,0,0,0,0|2,0,0]=4 2710 B10R1.176 COc1ccc(c(c1)C)I 7a_100000729255_200000210301 [2,0,0,0,0,0|2,0,0]=4 2711 B10R1.176 COc1ccc(c(c1)C)N 34a_100000756630_200000210301 [2,0,0,0,0,0|2,0,0]=4 2712 B10R1.176 COc1ccc(c(c1)C)N 7a_100000756630_200000210301 [2,0,0,0,0,0|2,0,0]=4 2713 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [2,0,0,0,0,0|1,0,0]=3 2714 B10R1.176 COc1ccc(c(c1)F)O 271570a_203496583355_100000753793 [2,0,0,0,0,0|2,0,0]=4 2715 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [2,0,0,0,0,0|2,0,0]=4 2716 B10R1.176 COc1ccc(c(c1)O)Br 271570a_203496583355_100009992028 [2,0,0,0,0,0|2,0,0]=4 2717 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [2,0,0,0,0,0|2,0,0]=4 2718 B10R1.176 COc1ccc(c(c1)O)Cl 271570a_203496583355_100011356938 [2,0,0,0,0,0|2,0,0]=4 2719 B10R1.176 COc1ccc(c(c1)O)F 271570a_203496583355_100000699733 [2,0,0,0,0,0|2,0,0]=4 2720 B10R1.176 COc1ccc(c(c1)O)N 271570a_203496583355_100015195136 [2,0,0,0,0,0|2,0,0]=4 2721 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [2,0,0,0,0,0|1,0,0]=3 2722 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [2,0,0,0,0,0|1,0,0]=3 2723 B10R1.176 COc1ccc(c(n1)C)O 271570a_203496583355_100000766551 [2,0,0,0,0,0|2,0,0]=4 2724 B10R1.176 COc1cnc(c(c1)C)O 271570a_203496583355_200009851512 [2,0,0,0,0,0|2,0,0]=4 2725 B10R1.176 CSc1cc(c(cn1)O)C 62a_200000210301_100000692680 [2,0,0,0,0,0|2,0,0]=4 2726 B10R1.176 CSc1ccc(c(c1)Br)O 62a_100012361655_200000210301 [2,0,0,0,0,0|2,0,0]=4 2727 B10R1.176 CSc1ccc(c(c1)Br)O 62a_200000210301_100012361655 [2,0,0,0,0,0|2,0,0]=4 2728 B10R1.176 CSc1ccc(c(c1)C)Br 62a_100009813585_200000210301 [2,0,0,0,0,0|2,0,0]=4 2729 B10R1.176 CSc1ccc(c(c1)C)Br 62a_200000210301_100009813585 [2,0,0,0,0,0|2,0,0]=4 2730 B10R1.176 CSc1ccc(c(c1)C)C 62a_100011215607_200000210301 [2,0,0,0,0,0|2,0,0]=4 2731 B10R1.176 CSc1ccc(c(c1)C)C 62a_200000210301_100011215607 [2,0,0,0,0,0|2,0,0]=4 2732 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_100000049509_200000210301 [2,0,0,0,0,0|2,0,0]=4 2733 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_200000210301_100000049509 [2,0,0,0,0,0|2,0,0]=4 2734 B10R1.176 CSc1ccc(c(c1)C)F 62a_100011218330_200000210301 [2,0,0,0,0,0|2,0,0]=4 2735 B10R1.176 CSc1ccc(c(c1)C)F 62a_200000210301_100011218330 [2,0,0,0,0,0|2,0,0]=4 2736 B10R1.176 CSc1ccc(c(c1)C)N 62a_100000211769_200000210301 [2,0,0,0,0,0|2,0,0]=4 2737 B10R1.176 CSc1ccc(c(c1)C)N 62a_200000210301_100000211769 [2,0,0,0,0,0|2,0,0]=4 2738 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [2,0,0,0,0,0|1,0,0]=3 2739 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_100012360047_200000210301 [2,0,0,0,0,0|2,0,0]=4 2740 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_200000210301_100012360047 [2,0,0,0,0,0|2,0,0]=4 2741 B10R1.176 CSc1ccc(c(c1)F)O 271570a_203496583355_100009816902 [2,0,0,0,0,0|2,0,0]=4 2742 B10R1.176 CSc1ccc(c(c1)F)O 62a_100000185481_200000210301 [2,0,0,0,0,0|2,0,0]=4 2743 B10R1.176 CSc1ccc(c(c1)F)O 62a_200000210301_100000185481 [2,0,0,0,0,0|2,0,0]=4 2744 B10R1.176 CSc1ccc(c(c1)N)O 62a_100000752626_200000210301 [2,0,0,0,0,0|2,0,0]=4 2745 B10R1.176 CSc1ccc(c(c1)N)O 62a_200000210301_100000752626 [2,0,0,0,0,0|2,0,0]=4 2746 B10R1.176 CSc1ccc(c(c1)O)Br 62a_100012356990_200000210301 [2,0,0,0,0,0|2,0,0]=4 2747 B10R1.176 CSc1ccc(c(c1)O)Br 62a_200000210301_100012356990 [2,0,0,0,0,0|2,0,0]=4 2748 B10R1.176 CSc1ccc(c(c1)O)C 62a_100000685420_200000210301 [2,0,0,0,0,0|2,0,0]=4 2749 B10R1.176 CSc1ccc(c(c1)O)C 62a_200000210301_100000685420 [2,0,0,0,0,0|2,0,0]=4 2750 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_100011356854_200000210301 [2,0,0,0,0,0|2,0,0]=4 2751 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_200000210301_100011356854 [2,0,0,0,0,0|2,0,0]=4 2752 B10R1.176 CSc1ccc(c(c1)O)F 271570a_203496583355_200010708804 [2,0,0,0,0,0|2,0,0]=4 2753 B10R1.176 CSc1ccc(c(c1)O)F 62a_100000686035_200000210301 [2,0,0,0,0,0|2,0,0]=4 2754 B10R1.176 CSc1ccc(c(c1)O)F 62a_200000210301_100000686035 [2,0,0,0,0,0|2,0,0]=4 2755 B10R1.176 CSc1ccc(c(c1)O)N 62a_100000739049_200000210301 [2,0,0,0,0,0|2,0,0]=4 2756 B10R1.176 CSc1ccc(c(c1)O)N 62a_200000210301_100000739049 [2,0,0,0,0,0|2,0,0]=4 2757 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [2,0,0,0,0,0|1,0,0]=3 2758 B10R1.176 CSc1ccc(c(n1)C)O 62a_100010233687_200000210301 [2,0,0,0,0,0|2,0,0]=4 2759 B10R1.176 CSc1ccc(c(n1)C)O 62a_200000210301_100010233687 [2,0,0,0,0,0|2,0,0]=4 2760 B10R1.176 CSc1cnc(c(c1)C)O 271570a_203496583355_203440288091 [2,0,0,0,0,0|2,0,0]=4 2761 B10R1.176 CSc1cnc(c(c1)C)O 62a_100000685391_200000210301 [2,0,0,0,0,0|2,0,0]=4 2762 B10R1.176 CSc1cnc(c(c1)C)O 62a_200000210301_100000685391 [2,0,0,0,0,0|2,0,0]=4 2763 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 2230a_100000210723_200025704644 [2,0,0,0,0,0|2,0,0]=4 2764 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 34a_100000210723_200025704644 [2,0,0,0,0,0|2,0,0]=4 2765 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 7a_100000210723_200025704644 [2,0,0,0,0,0|2,0,0]=4 2766 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 34a_100000690111_200025704644 [2,0,0,0,0,0|2,0,0]=4 2767 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 7a_100000690111_200025704644 [2,0,0,0,0,0|2,0,0]=4 2768 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_100009813585_200025704644 [2,0,0,0,0,0|2,0,0]=4 2769 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_200025704644_100009813585 [2,0,0,0,0,0|2,0,0]=4 2770 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 2230a_100000187808_200025704644 [2,0,0,0,0,0|2,0,0]=4 2771 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 34a_100000187808_200025704644 [2,0,0,0,0,0|2,0,0]=4 2772 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 7a_100000187808_200025704644 [2,0,0,0,0,0|2,0,0]=4 2773 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 34a_100000211092_200025704644 [2,0,0,0,0,0|2,0,0]=4 2774 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 7a_100000211092_200025704644 [2,0,0,0,0,0|2,0,0]=4 2775 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_100000049509_200025704644 [2,0,0,0,0,0|2,0,0]=4 2776 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100000049509 [2,0,0,0,0,0|2,0,0]=4 2777 B10R1.176 Cc1cc(ccc1F)N[13CH3] 2230a_100000750164_200025704644 [2,0,0,0,0,0|2,0,0]=4 2778 B10R1.176 Cc1cc(ccc1F)N[13CH3] 34a_100000750164_200025704644 [2,0,0,0,0,0|2,0,0]=4 2779 B10R1.176 Cc1cc(ccc1F)N[13CH3] 7a_100000750164_200025704644 [2,0,0,0,0,0|2,0,0]=4 2780 B10R1.176 Cc1cc(ccc1F)O[13CH3] 34a_100000751312_200025704644 [2,0,0,0,0,0|2,0,0]=4 2781 B10R1.176 Cc1cc(ccc1F)O[13CH3] 7a_100000751312_200025704644 [2,0,0,0,0,0|2,0,0]=4 2782 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_100011218330_200025704644 [2,0,0,0,0,0|2,0,0]=4 2783 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_200025704644_100011218330 [2,0,0,0,0,0|2,0,0]=4 2784 B10R1.176 Cc1cc(ccc1I)N[13CH3] 34a_100000198070_200025704644 [2,0,0,0,0,0|2,0,0]=4 2785 B10R1.176 Cc1cc(ccc1I)N[13CH3] 7a_100000198070_200025704644 [2,0,0,0,0,0|2,0,0]=4 2786 B10R1.176 Cc1cc(ccc1I)O[13CH3] 34a_100000729255_200025704644 [2,0,0,0,0,0|2,0,0]=4 2787 B10R1.176 Cc1cc(ccc1I)O[13CH3] 7a_100000729255_200025704644 [2,0,0,0,0,0|2,0,0]=4 2788 B10R1.176 Cc1cc(ccc1N)O[13CH3] 34a_100000756630_200025704644 [2,0,0,0,0,0|2,0,0]=4 2789 B10R1.176 Cc1cc(ccc1N)O[13CH3] 7a_100000756630_200025704644 [2,0,0,0,0,0|2,0,0]=4 2790 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_100000211769_200025704644 [2,0,0,0,0,0|2,0,0]=4 2791 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_200025704644_100000211769 [2,0,0,0,0,0|2,0,0]=4 2792 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [2,0,0,0,0,0|1,0,1]=4 2793 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [2,0,0,0,0,0|1,0,0]=3 2794 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [2,0,0,0,0,0|1,0,1]=4 2795 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [2,0,0,0,0,0|1,0,1]=4 2796 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [2,0,0,0,0,0|2,0,0]=4 2797 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [2,0,0,0,0,0|1,0,0]=3 2798 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [2,0,0,0,0,0|1,0,0]=3 2799 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [2,0,0,0,0,0|1,0,0]=3 2800 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [2,0,0,0,0,0|2,0,0]=4 2801 B10R1.176 Cc1cc(cnc1O)S[13CH3] 62a_100000685391_200025704644 [2,0,0,0,0,0|2,0,0]=4 2802 B10R1.176 Cc1cc(cnc1O)S[13CH3] 62a_200025704644_100000685391 [2,0,0,0,0,0|2,0,0]=4 2803 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [2,0,0,0,0,0|2,0,0]=4 2804 B10R1.176 Cc1cc(ncc1O)S[13CH3] 62a_200025704644_100000692680 [2,0,0,0,0,0|2,0,0]=4 2805 B10R1.176 Cc1ccc(cc1C)N[13CH3] 2230a_100000724040_200025704644 [2,0,0,0,0,0|2,0,0]=4 2806 B10R1.176 Cc1ccc(cc1C)N[13CH3] 34a_100000724040_200025704644 [2,0,0,0,0,0|2,0,0]=4 2807 B10R1.176 Cc1ccc(cc1C)N[13CH3] 7a_100000724040_200025704644 [2,0,0,0,0,0|2,0,0]=4 2808 B10R1.176 Cc1ccc(cc1C)O[13CH3] 34a_100000210932_200025704644 [2,0,0,0,0,0|2,0,0]=4 2809 B10R1.176 Cc1ccc(cc1C)O[13CH3] 7a_100000210932_200025704644 [2,0,0,0,0,0|2,0,0]=4 2810 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_100011215607_200025704644 [2,0,0,0,0,0|2,0,0]=4 2811 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_200025704644_100011215607 [2,0,0,0,0,0|2,0,0]=4 2812 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [2,0,0,0,0,0|2,0,0]=4 2813 B10R1.176 Cc1ccc(cc1O)N[13CH3] 34a_100000759471_200025704644 [2,0,0,0,0,0|2,0,0]=4 2814 B10R1.176 Cc1ccc(cc1O)N[13CH3] 7a_100000759471_200025704644 [2,0,0,0,0,0|2,0,0]=4 2815 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_100000685420_200025704644 [2,0,0,0,0,0|2,0,0]=4 2816 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100000685420 [2,0,0,0,0,0|2,0,0]=4 2817 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [2,0,0,0,0,0|2,0,0]=4 2818 B10R1.176 Cc1nc(ccc1O)S[13CH3] 62a_100010233687_200025704644 [2,0,0,0,0,0|2,0,0]=4 2819 B10R1.176 Cc1nc(ccc1O)S[13CH3] 62a_200025704644_100010233687 [2,0,0,0,0,0|2,0,0]=4 2820 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [2,0,0,0,0,0|1,0,1]=4 2821 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [2,0,0,0,0,0|1,0,1]=4 2822 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [2,0,0,0,0,0|2,0,0]=4 2823 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [2,0,0,0,0,0|2,0,0]=4 2824 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [2,0,0,0,0,0|2,0,0]=4 2825 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [2,0,0,0,0,0|2,0,0]=4 2826 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [2,0,0,0,0,0|1,0,0]=3 2827 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [2,0,0,0,0,0|1,0,0]=3 2828 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [2,0,0,0,0,0|2,0,0]=4 2829 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [2,0,0,0,0,0|1,0,1]=4 2830 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [2,0,0,0,0,0|1,0,1]=4 2831 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)O 34a_100011534360_200025704644 [2,0,0,0,0,0|2,0,0]=4 2832 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)O 34a_100000744943_200025704644 [2,0,0,0,0,0|2,0,0]=4 2833 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 34a_100011220035_200025704644 [2,0,0,0,0,0|2,0,0]=4 2834 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 7a_100011220035_200025704644 [2,0,0,0,0,0|2,0,0]=4 2835 B10R1.176 [13CH3]Nc1ccc(c(c1)O)Cl 34a_100011934209_200025704644 [2,0,0,0,0,0|2,0,0]=4 2836 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 34a_100012017398_200025704644 [2,0,0,0,0,0|2,0,0]=4 2837 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 7a_100012017398_200025704644 [2,0,0,0,0,0|2,0,0]=4 2838 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [2,0,0,0,0,0|1,0,0]=3 2839 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_100012361655_200025704644 [2,0,0,0,0,0|2,0,0]=4 2840 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_200025704644_100012361655 [2,0,0,0,0,0|2,0,0]=4 2841 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_100012360047_200025704644 [2,0,0,0,0,0|2,0,0]=4 2842 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_200025704644_100012360047 [2,0,0,0,0,0|2,0,0]=4 2843 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_100000185481_200025704644 [2,0,0,0,0,0|2,0,0]=4 2844 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_200025704644_100000185481 [2,0,0,0,0,0|2,0,0]=4 2845 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_100000752626_200025704644 [2,0,0,0,0,0|2,0,0]=4 2846 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_200025704644_100000752626 [2,0,0,0,0,0|2,0,0]=4 2847 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_100012356990_200025704644 [2,0,0,0,0,0|2,0,0]=4 2848 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_200025704644_100012356990 [2,0,0,0,0,0|2,0,0]=4 2849 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_100011356854_200025704644 [2,0,0,0,0,0|2,0,0]=4 2850 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_200025704644_100011356854 [2,0,0,0,0,0|2,0,0]=4 2851 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_100000686035_200025704644 [2,0,0,0,0,0|2,0,0]=4 2852 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_200025704644_100000686035 [2,0,0,0,0,0|2,0,0]=4 2853 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_100000739049_200025704644 [2,0,0,0,0,0|2,0,0]=4 2854 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_200025704644_100000739049 [2,0,0,0,0,0|2,0,0]=4 2855 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [2,0,0,0,0,0|1,0,0]=3 2856 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [2,0,0,0,0,0|1,0,1]=4 2857 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [2,0,0,0,0,0|2,0,0]=4 2858 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [2,0,0,0,0,0|2,0,0]=4 2859 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [2,0,0,0,0,0|2,0,0]=4 2860 B10R1.30 CNc1cc(ccc1Br)C 34a_100000745044_200000210301 [2,0,0,0,0,0|2,0,0]=4 2861 B10R1.30 CNc1cc(ccc1C)C 2230a_100000185781_200000210301 [2,0,0,0,0,0|2,0,0]=4 2862 B10R1.30 CNc1cc(ccc1C)C 34a_100000185781_200000210301 [2,0,0,0,0,0|2,0,0]=4 2863 B10R1.30 CNc1cc(ccc1C)C 7a_100000185781_200000210301 [2,0,0,0,0,0|2,0,0]=4 2864 B10R1.30 CNc1cc(ccc1Cl)C 34a_100011215360_200000210301 [2,0,0,0,0,0|2,0,0]=4 2865 B10R1.30 CNc1cc(ccc1F)C 34a_100000211285_200000210301 [2,0,0,0,0,0|2,0,0]=4 2866 B10R1.30 CNc1cc(ccc1I)C 34a_100011216686_200000210301 [2,0,0,0,0,0|2,0,0]=4 2867 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [2,0,0,0,0,0|2,0,0]=4 2868 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [2,0,0,0,0,0|1,0,0]=3 2869 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [2,0,0,0,0,0|2,0,0]=4 2870 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [2,0,0,0,0,0|2,0,0]=4 2871 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [2,0,0,0,0,0|2,0,0]=4 2872 B10R1.30 COc1cc(ccc1Br)Br 34a_100011220040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2873 B10R1.30 COc1cc(ccc1Br)Br 7a_100011220040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2874 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [2,0,0,0,0,0|1,0,0]=3 2875 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [2,0,0,0,0,0|1,0,0]=3 2876 B10R1.30 COc1cc(ccc1Br)Cl 34a_100012339455_200000210301 [2,0,0,0,0,0|2,0,0]=4 2877 B10R1.30 COc1cc(ccc1Br)Cl 7a_100012339455_200000210301 [2,0,0,0,0,0|2,0,0]=4 2878 B10R1.30 COc1cc(ccc1Br)F 34a_100000690578_200000210301 [2,0,0,0,0,0|2,0,0]=4 2879 B10R1.30 COc1cc(ccc1Br)F 7a_100000690578_200000210301 [2,0,0,0,0,0|2,0,0]=4 2880 B10R1.30 COc1cc(ccc1Br)I 34a_100012356990_200000210301 [2,0,0,0,0,0|2,0,0]=4 2881 B10R1.30 COc1cc(ccc1Br)I 7a_100012356990_200000210301 [2,0,0,0,0,0|2,0,0]=4 2882 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [2,0,0,0,0,0|2,0,0]=4 2883 B10R1.30 COc1cc(ccc1C)Br 34a_100000685420_200000210301 [2,0,0,0,0,0|2,0,0]=4 2884 B10R1.30 COc1cc(ccc1C)Br 7a_100000685420_200000210301 [2,0,0,0,0,0|2,0,0]=4 2885 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [2,0,0,0,0,0|1,0,0]=3 2886 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [2,0,0,0,0,0|1,0,0]=3 2887 B10R1.30 COc1cc(ccc1C)Cl 34a_100000756515_200000210301 [2,0,0,0,0,0|2,0,0]=4 2888 B10R1.30 COc1cc(ccc1C)Cl 7a_100000756515_200000210301 [2,0,0,0,0,0|2,0,0]=4 2889 B10R1.30 COc1cc(ccc1C)F 34a_100000690566_200000210301 [2,0,0,0,0,0|2,0,0]=4 2890 B10R1.30 COc1cc(ccc1C)F 7a_100000690566_200000210301 [2,0,0,0,0,0|2,0,0]=4 2891 B10R1.30 COc1cc(ccc1C)I 7a_100000766334_200000210301 [2,0,0,0,0,0|2,0,0]=4 2892 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [2,0,0,0,0,0|2,0,0]=4 2893 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [2,0,0,0,0,0|2,0,0]=4 2894 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [2,0,0,0,0,0|2,0,0]=4 2895 B10R1.30 COc1cc(ccc1Cl)Br 34a_100000738945_200000210301 [2,0,0,0,0,0|2,0,0]=4 2896 B10R1.30 COc1cc(ccc1Cl)Br 7a_100000738945_200000210301 [2,0,0,0,0,0|2,0,0]=4 2897 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [2,0,0,0,0,0|1,0,0]=3 2898 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [2,0,0,0,0,0|1,0,0]=3 2899 B10R1.30 COc1cc(ccc1Cl)Cl 34a_100000211422_200000210301 [2,0,0,0,0,0|2,0,0]=4 2900 B10R1.30 COc1cc(ccc1Cl)Cl 7a_100000211422_200000210301 [2,0,0,0,0,0|2,0,0]=4 2901 B10R1.30 COc1cc(ccc1Cl)F 34a_100000692107_200000210301 [2,0,0,0,0,0|2,0,0]=4 2902 B10R1.30 COc1cc(ccc1Cl)F 7a_100000692107_200000210301 [2,0,0,0,0,0|2,0,0]=4 2903 B10R1.30 COc1cc(ccc1Cl)I 34a_100011356854_200000210301 [2,0,0,0,0,0|2,0,0]=4 2904 B10R1.30 COc1cc(ccc1Cl)I 7a_100011356854_200000210301 [2,0,0,0,0,0|2,0,0]=4 2905 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [2,0,0,0,0,0|2,0,0]=4 2906 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [2,0,0,0,0,0|2,0,0]=4 2907 B10R1.30 COc1cc(ccc1F)Br 34a_100000686035_200000210301 [2,0,0,0,0,0|2,0,0]=4 2908 B10R1.30 COc1cc(ccc1F)Br 7a_100000686035_200000210301 [2,0,0,0,0,0|2,0,0]=4 2909 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [2,0,0,0,0,0|1,0,0]=3 2910 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [2,0,0,0,0,0|1,0,0]=3 2911 B10R1.30 COc1cc(ccc1F)Cl 34a_100000757397_200000210301 [2,0,0,0,0,0|2,0,0]=4 2912 B10R1.30 COc1cc(ccc1F)Cl 7a_100000757397_200000210301 [2,0,0,0,0,0|2,0,0]=4 2913 B10R1.30 COc1cc(ccc1F)F 34a_100000752141_200000210301 [2,0,0,0,0,0|2,0,0]=4 2914 B10R1.30 COc1cc(ccc1F)F 7a_100000752141_200000210301 [2,0,0,0,0,0|2,0,0]=4 2915 B10R1.30 COc1cc(ccc1F)I 34a_100009958187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2916 B10R1.30 COc1cc(ccc1F)I 7a_100009958187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2917 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [2,0,0,0,0,0|2,0,0]=4 2918 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [2,0,0,0,0,0|2,0,0]=4 2919 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [2,0,0,0,0,0|2,0,0]=4 2920 B10R1.30 COc1cc(ccc1I)Br 34a_100012344904_200000210301 [2,0,0,0,0,0|2,0,0]=4 2921 B10R1.30 COc1cc(ccc1I)Br 7a_100012344904_200000210301 [2,0,0,0,0,0|2,0,0]=4 2922 B10R1.30 COc1cc(ccc1I)Cl 34a_100000050036_200000210301 [2,0,0,0,0,0|2,0,0]=4 2923 B10R1.30 COc1cc(ccc1I)Cl 7a_100000050036_200000210301 [2,0,0,0,0,0|2,0,0]=4 2924 B10R1.30 COc1cc(ccc1I)F 34a_100010084537_200000210301 [2,0,0,0,0,0|2,0,0]=4 2925 B10R1.30 COc1cc(ccc1I)F 7a_100010084537_200000210301 [2,0,0,0,0,0|2,0,0]=4 2926 B10R1.30 COc1cc(ccc1N)Br 34a_100000739049_200000210301 [2,0,0,0,0,0|2,0,0]=4 2927 B10R1.30 COc1cc(ccc1N)Br 7a_100000739049_200000210301 [2,0,0,0,0,0|2,0,0]=4 2928 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [2,0,0,0,0,0|1,0,0]=3 2929 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [2,0,0,0,0,0|1,0,0]=3 2930 B10R1.30 COc1cc(ccc1N)Cl 34a_100000185728_200000210301 [2,0,0,0,0,0|2,0,0]=4 2931 B10R1.30 COc1cc(ccc1N)Cl 7a_100000185728_200000210301 [2,0,0,0,0,0|2,0,0]=4 2932 B10R1.30 COc1cc(ccc1N)F 34a_100000753323_200000210301 [2,0,0,0,0,0|2,0,0]=4 2933 B10R1.30 COc1cc(ccc1N)F 7a_100000753323_200000210301 [2,0,0,0,0,0|2,0,0]=4 2934 B10R1.30 COc1cc(ccc1N)I 34a_100000057187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2935 B10R1.30 COc1cc(ccc1N)I 7a_100000057187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2936 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [2,0,0,0,0,0|2,0,0]=4 2937 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [2,0,0,0,0,0|2,0,0]=4 2938 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [2,0,0,0,0,0|1,0,0]=3 2939 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [2,0,0,0,0,0|0,0,0]=2 2940 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [2,0,0,0,0,0|1,0,0]=3 2941 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [2,0,0,0,0,0|1,0,0]=3 2942 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [2,0,0,0,0,0|1,0,0]=3 2943 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [2,0,0,0,0,0|1,0,0]=3 2944 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [2,0,0,0,0,0|1,0,0]=3 2945 B10R1.30 COc1cc(cnc1Cl)C 34a_100012000487_200000210301 [2,0,0,0,0,0|2,0,0]=4 2946 B10R1.30 COc1cc(cnc1Cl)C 7a_100012000487_200000210301 [2,0,0,0,0,0|2,0,0]=4 2947 B10R1.30 COc1cc(cnc1F)C 34a_100009849810_200000210301 [2,0,0,0,0,0|2,0,0]=4 2948 B10R1.30 COc1cc(cnc1F)C 7a_100009849810_200000210301 [2,0,0,0,0,0|2,0,0]=4 2949 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [2,0,0,0,0,0|1,0,0]=3 2950 B10R1.30 COc1cc(cnc1O)F 271570a_203496583355_100009867738 [2,0,0,0,0,0|2,0,0]=4 2951 B10R1.30 COc1cc(cnc1O)N 271570a_203496583355_100000097218 [2,0,0,0,0,0|2,0,0]=4 2952 B10R1.30 COc1cc(ncc1Br)C 34a_100011016184_200000210301 [2,0,0,0,0,0|2,0,0]=4 2953 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [2,0,0,0,0,0|1,0,0]=3 2954 B10R1.30 COc1cc(ncc1O)Cl 271570a_203496583355_100010154656 [2,0,0,0,0,0|2,0,0]=4 2955 B10R1.30 COc1cc(ncc1O)F 271570a_203496583355_100010135560 [2,0,0,0,0,0|2,0,0]=4 2956 B10R1.30 COc1cc(ncc1O)N 271570a_203496583355_100015506990 [2,0,0,0,0,0|2,0,0]=4 2957 B10R1.30 COc1nc(ccc1Br)C 34a_100009817604_200000210301 [2,0,0,0,0,0|2,0,0]=4 2958 B10R1.30 COc1nc(ccc1N)C 34a_100000687486_200000210301 [2,0,0,0,0,0|2,0,0]=4 2959 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [2,0,0,0,0,0|1,0,0]=3 2960 B10R1.30 COc1nc(ccc1O)N 271570a_203496583355_100010187630 [2,0,0,0,0,0|2,0,0]=4 2961 B10R1.30 COc1nc(ccc1O)O 271570a_203496583355_100010893133 [2,0,0,0,0,0|2,0,0]=4 2962 B10R1.30 CSc1cc(ccc1Br)C 62a_100012353751_200000210301 [2,0,0,0,0,0|1,1,0]=4 2963 B10R1.30 CSc1cc(ccc1Br)C 62a_200000210301_100012353751 [2,0,0,0,0,0|1,1,0]=4 2964 B10R1.30 CSc1cc(ccc1C)C 62a_100000210833_200000210301 [2,0,0,0,0,0|1,1,0]=4 2965 B10R1.30 CSc1cc(ccc1C)C 62a_200000210301_100000210833 [2,0,0,0,0,0|1,1,0]=4 2966 B10R1.30 CSc1cc(ccc1Cl)C 62a_100012356289_200000210301 [2,0,0,0,0,0|1,1,0]=4 2967 B10R1.30 CSc1cc(ccc1Cl)C 62a_200000210301_100012356289 [2,0,0,0,0,0|1,1,0]=4 2968 B10R1.30 CSc1cc(ccc1F)C 62a_100000736223_200000210301 [2,0,0,0,0,0|1,1,0]=4 2969 B10R1.30 CSc1cc(ccc1F)C 62a_200000210301_100000736223 [2,0,0,0,0,0|1,1,0]=4 2970 B10R1.30 CSc1cc(ccc1N)C 62a_100011356834_200000210301 [2,0,0,0,0,0|1,1,0]=4 2971 B10R1.30 CSc1cc(ccc1N)C 62a_200000210301_100011356834 [2,0,0,0,0,0|1,1,0]=4 2972 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [2,0,0,0,0,0|1,1,0]=4 2973 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [2,0,0,0,0,0|1,1,0]=4 2974 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [2,0,0,0,0,0|0,1,0]=3 2975 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [2,0,0,0,0,0|0,1,0]=3 2976 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [2,0,0,0,0,0|0,1,0]=3 2977 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [2,0,0,0,0,0|1,1,0]=4 2978 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [2,0,0,0,0,0|1,1,0]=4 2979 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [2,0,0,0,0,0|1,1,0]=4 2980 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [2,0,0,0,0,0|1,1,0]=4 2981 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [2,0,0,0,0,0|1,1,0]=4 2982 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [2,0,0,0,0,0|1,1,0]=4 2983 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [2,0,0,0,0,0|1,1,0]=4 2984 B10R1.30 CSc1cc(cnc1O)C 271570a_203496583355_100010884634 [2,0,0,0,0,0|1,1,0]=4 2985 B10R1.30 CSc1cc(cnc1O)C 62a_100000719714_200000210301 [2,0,0,0,0,0|1,1,0]=4 2986 B10R1.30 CSc1cc(cnc1O)C 62a_200000210301_100000719714 [2,0,0,0,0,0|1,1,0]=4 2987 B10R1.30 CSc1cc(ncc1O)C 62a_100009843476_200000210301 [2,0,0,0,0,0|1,1,0]=4 2988 B10R1.30 CSc1cc(ncc1O)C 62a_200000210301_100009843476 [2,0,0,0,0,0|1,1,0]=4 2989 B10R1.30 CSc1nc(ccc1O)C 62a_100000702858_200000210301 [2,0,0,0,0,0|1,1,0]=4 2990 B10R1.30 CSc1nc(ccc1O)C 62a_200000210301_100000702858 [2,0,0,0,0,0|1,1,0]=4 2991 B10R1.30 Cc1cc(c(cn1)Br)O[13CH3] 34a_100011016184_200025704644 [2,0,0,0,0,0|2,0,0]=4 2992 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_100009843476_200025704644 [2,0,0,0,0,0|1,1,0]=4 2993 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_200025704644_100009843476 [2,0,0,0,0,0|1,1,0]=4 2994 B10R1.30 Cc1ccc(c(c1)C#N)O 271570a_203496583355_100011935190 [2,0,0,0,0,0|2,0,0]=4 2995 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [2,0,0,0,0,0|2,0,0]=4 2996 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [2,0,0,0,0,0|2,0,0]=4 2997 B10R1.30 Cc1ccc(c(c1)N[13CH3])Br 34a_100000745044_200025704644 [2,0,0,0,0,0|2,0,0]=4 2998 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 2230a_100000185781_200025704644 [2,0,0,0,0,0|2,0,0]=4 2999 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 34a_100000185781_200025704644 [2,0,0,0,0,0|2,0,0]=4 3000 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 7a_100000185781_200025704644 [2,0,0,0,0,0|2,0,0]=4 3001 B10R1.30 Cc1ccc(c(c1)N[13CH3])Cl 34a_100011215360_200025704644 [2,0,0,0,0,0|2,0,0]=4 3002 B10R1.30 Cc1ccc(c(c1)N[13CH3])F 34a_100000211285_200025704644 [2,0,0,0,0,0|2,0,0]=4 3003 B10R1.30 Cc1ccc(c(c1)N[13CH3])I 34a_100011216686_200025704644 [2,0,0,0,0,0|2,0,0]=4 3004 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [2,0,0,0,0,0|1,0,0]=3 3005 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [2,0,0,0,0,0|1,0,0]=3 3006 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [2,0,0,0,0,0|1,0,0]=3 3007 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [2,0,0,0,0,0|1,0,0]=3 3008 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [2,0,0,0,0,0|1,0,0]=3 3009 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [2,0,0,0,0,0|1,0,0]=3 3010 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [2,0,0,0,0,0|1,0,0]=3 3011 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [2,0,0,0,0,0|1,0,0]=3 3012 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [2,0,0,0,0,0|1,0,0]=3 3013 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [2,0,0,0,0,0|1,0,0]=3 3014 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [2,0,0,0,0,0|1,0,0]=3 3015 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_100012353751_200025704644 [2,0,0,0,0,0|1,1,0]=4 3016 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012353751 [2,0,0,0,0,0|1,1,0]=4 3017 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_100000210833_200025704644 [2,0,0,0,0,0|1,1,0]=4 3018 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000210833 [2,0,0,0,0,0|1,1,0]=4 3019 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_100012356289_200025704644 [2,0,0,0,0,0|1,1,0]=4 3020 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100012356289 [2,0,0,0,0,0|1,1,0]=4 3021 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_100000736223_200025704644 [2,0,0,0,0,0|1,1,0]=4 3022 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000736223 [2,0,0,0,0,0|1,1,0]=4 3023 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_100011356834_200025704644 [2,0,0,0,0,0|1,1,0]=4 3024 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_200025704644_100011356834 [2,0,0,0,0,0|1,1,0]=4 3025 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [2,0,0,0,0,0|0,1,0]=3 3026 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [2,0,0,0,0,0|0,1,0]=3 3027 B10R1.30 Cc1ccc(c(n1)O[13CH3])Br 34a_100009817604_200025704644 [2,0,0,0,0,0|2,0,0]=4 3028 B10R1.30 Cc1ccc(c(n1)O[13CH3])N 34a_100000687486_200025704644 [2,0,0,0,0,0|2,0,0]=4 3029 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_100000702858_200025704644 [2,0,0,0,0,0|1,1,0]=4 3030 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_200025704644_100000702858 [2,0,0,0,0,0|1,1,0]=4 3031 B10R1.30 Cc1ccc(cc1O[13CH3])Br 34a_100000685420_200025704644 [2,0,0,0,0,0|2,0,0]=4 3032 B10R1.30 Cc1ccc(cc1O[13CH3])Br 7a_100000685420_200025704644 [2,0,0,0,0,0|2,0,0]=4 3033 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 34a_100000756515_200025704644 [2,0,0,0,0,0|2,0,0]=4 3034 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 7a_100000756515_200025704644 [2,0,0,0,0,0|2,0,0]=4 3035 B10R1.30 Cc1ccc(cc1O[13CH3])F 34a_100000690566_200025704644 [2,0,0,0,0,0|2,0,0]=4 3036 B10R1.30 Cc1ccc(cc1O[13CH3])F 7a_100000690566_200025704644 [2,0,0,0,0,0|2,0,0]=4 3037 B10R1.30 Cc1ccc(cc1O[13CH3])I 7a_100000766334_200025704644 [2,0,0,0,0,0|2,0,0]=4 3038 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [2,0,0,0,0,0|2,0,0]=4 3039 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [2,0,0,0,0,0|2,0,0]=4 3040 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 34a_100012000487_200025704644 [2,0,0,0,0,0|2,0,0]=4 3041 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 7a_100012000487_200025704644 [2,0,0,0,0,0|2,0,0]=4 3042 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 34a_100009849810_200025704644 [2,0,0,0,0,0|2,0,0]=4 3043 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 7a_100009849810_200025704644 [2,0,0,0,0,0|2,0,0]=4 3044 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_100000719714_200025704644 [2,0,0,0,0,0|1,1,0]=4 3045 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_200025704644_100000719714 [2,0,0,0,0,0|1,1,0]=4 3046 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [2,0,0,0,0,0|2,0,0]=4 3047 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [2,0,0,0,0,0|2,0,0]=4 3048 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [2,0,0,0,0,0|2,0,0]=4 3049 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 34a_100011220040_200025704644 [2,0,0,0,0,0|2,0,0]=4 3050 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 7a_100011220040_200025704644 [2,0,0,0,0,0|2,0,0]=4 3051 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 34a_100012339455_200025704644 [2,0,0,0,0,0|2,0,0]=4 3052 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 7a_100012339455_200025704644 [2,0,0,0,0,0|2,0,0]=4 3053 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 34a_100000690578_200025704644 [2,0,0,0,0,0|2,0,0]=4 3054 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 7a_100000690578_200025704644 [2,0,0,0,0,0|2,0,0]=4 3055 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 34a_100012356990_200025704644 [2,0,0,0,0,0|2,0,0]=4 3056 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 7a_100012356990_200025704644 [2,0,0,0,0,0|2,0,0]=4 3057 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 34a_100000738945_200025704644 [2,0,0,0,0,0|2,0,0]=4 3058 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 7a_100000738945_200025704644 [2,0,0,0,0,0|2,0,0]=4 3059 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 34a_100000211422_200025704644 [2,0,0,0,0,0|2,0,0]=4 3060 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 7a_100000211422_200025704644 [2,0,0,0,0,0|2,0,0]=4 3061 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 34a_100000692107_200025704644 [2,0,0,0,0,0|2,0,0]=4 3062 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 7a_100000692107_200025704644 [2,0,0,0,0,0|2,0,0]=4 3063 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 34a_100011356854_200025704644 [2,0,0,0,0,0|2,0,0]=4 3064 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 7a_100011356854_200025704644 [2,0,0,0,0,0|2,0,0]=4 3065 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [2,0,0,0,0,0|2,0,0]=4 3066 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 34a_100000686035_200025704644 [2,0,0,0,0,0|2,0,0]=4 3067 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 7a_100000686035_200025704644 [2,0,0,0,0,0|2,0,0]=4 3068 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 34a_100000757397_200025704644 [2,0,0,0,0,0|2,0,0]=4 3069 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 7a_100000757397_200025704644 [2,0,0,0,0,0|2,0,0]=4 3070 B10R1.30 [13CH3]Oc1cc(ccc1F)F 34a_100000752141_200025704644 [2,0,0,0,0,0|2,0,0]=4 3071 B10R1.30 [13CH3]Oc1cc(ccc1F)F 7a_100000752141_200025704644 [2,0,0,0,0,0|2,0,0]=4 3072 B10R1.30 [13CH3]Oc1cc(ccc1F)I 34a_100009958187_200025704644 [2,0,0,0,0,0|2,0,0]=4 3073 B10R1.30 [13CH3]Oc1cc(ccc1F)I 7a_100009958187_200025704644 [2,0,0,0,0,0|2,0,0]=4 3074 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [2,0,0,0,0,0|2,0,0]=4 3075 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [2,0,0,0,0,0|2,0,0]=4 3076 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 34a_100012344904_200025704644 [2,0,0,0,0,0|2,0,0]=4 3077 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 7a_100012344904_200025704644 [2,0,0,0,0,0|2,0,0]=4 3078 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 34a_100000050036_200025704644 [2,0,0,0,0,0|2,0,0]=4 3079 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 7a_100000050036_200025704644 [2,0,0,0,0,0|2,0,0]=4 3080 B10R1.30 [13CH3]Oc1cc(ccc1I)F 34a_100010084537_200025704644 [2,0,0,0,0,0|2,0,0]=4 3081 B10R1.30 [13CH3]Oc1cc(ccc1I)F 7a_100010084537_200025704644 [2,0,0,0,0,0|2,0,0]=4 3082 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 34a_100000739049_200025704644 [2,0,0,0,0,0|2,0,0]=4 3083 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 7a_100000739049_200025704644 [2,0,0,0,0,0|2,0,0]=4 3084 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 34a_100000185728_200025704644 [2,0,0,0,0,0|2,0,0]=4 3085 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 7a_100000185728_200025704644 [2,0,0,0,0,0|2,0,0]=4 3086 B10R1.30 [13CH3]Oc1cc(ccc1N)F 34a_100000753323_200025704644 [2,0,0,0,0,0|2,0,0]=4 3087 B10R1.30 [13CH3]Oc1cc(ccc1N)F 7a_100000753323_200025704644 [2,0,0,0,0,0|2,0,0]=4 3088 B10R1.30 [13CH3]Oc1cc(ccc1N)I 34a_100000057187_200025704644 [2,0,0,0,0,0|2,0,0]=4 3089 B10R1.30 [13CH3]Oc1cc(ccc1N)I 7a_100000057187_200025704644 [2,0,0,0,0,0|2,0,0]=4 3090 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [2,0,0,0,0,0|2,0,0]=4 3091 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [2,0,0,0,0,0|1,1,0]=4 3092 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [2,0,0,0,0,0|1,1,0]=4 3093 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [2,0,0,0,0,0|1,1,0]=4 3094 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [2,0,0,0,0,0|1,1,0]=4 3095 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [2,0,0,0,0,0|1,1,0]=4 3096 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [2,0,0,0,0,0|1,1,0]=4 3097 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [2,0,0,0,0,0|1,1,0]=4 3098 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [2,0,0,0,0,0|1,1,0]=4 3099 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [2,0,0,0,0,0|1,1,0]=4 3100 B12R1.41 C=C=Cc1cc(cc(c1)OC)Br 271570a_100015277604_100010141301 [1,1,0,0,0,0|0,0,2]=4 3101 B12R1.41 C=C=Cc1cc(cc(c1)OC)C 271570a_100015277604_100010187550 [1,1,0,0,0,0|0,0,2]=4 3102 B12R1.41 C=C=Cc1cc(cc(c1)OC)Cl 271570a_100015277604_100010147680 [1,1,0,0,0,0|0,0,2]=4 3103 B12R1.41 C=C=Cc1cc(cc(c1)OC)F 271570a_100015277604_100011934182 [1,1,0,0,0,0|0,0,2]=4 3104 B12R1.41 C=C=Cc1cc(cc(c1)OC)N 271570a_100015277604_100000750983 [1,1,0,0,0,0|0,0,2]=4 3105 B12R1.41 C=C=Cc1cc(cc(c1)OC)O 271570a_100015277604_100010068927 [1,1,0,0,0,0|0,0,2]=4 3106 B12R1.41 CC=Cc1cc(cc(c1)C#N)Br 271570a_100016259895_100009997436 [1,1,0,0,0,0|2,0,0]=4 3107 B12R1.41 CC=Cc1cc(cc(c1)C#N)C 271570a_100016259895_100011998626 [1,1,0,0,0,0|2,0,0]=4 3108 B12R1.41 CC=Cc1cc(cc(c1)C#N)Cl 271570a_100016259895_100009827952 [1,1,0,0,0,0|2,0,0]=4 3109 B12R1.41 CC=Cc1cc(cc(c1)C#N)F 271570a_100016259895_100000756176 [1,1,0,0,0,0|2,0,0]=4 3110 B12R1.41 CC=Cc1cc(cc(c1)C#N)N 271570a_100016259895_100012002331 [1,1,0,0,0,0|2,0,0]=4 3111 B12R1.41 CC=Cc1cc(cc(c1)C#N)O 271570a_100016259895_100012180112 [1,1,0,0,0,0|2,0,0]=4 3112 B12R1.41 CC=Cc1cc(cc(c1)C=O)Br 271570a_100016259895_100010185649 [1,1,0,0,0,0|2,0,0]=4 3113 B12R1.41 CC=Cc1cc(cc(c1)C=O)C 271570a_100016259895_100000686105 [1,1,0,0,0,0|2,0,0]=4 3114 B12R1.41 CC=Cc1cc(cc(c1)C=O)F 271570a_100016259895_100011794424 [1,1,0,0,0,0|2,0,0]=4 3115 B12R1.41 CC=Cc1cc(cc(c1)C=O)O 271570a_100016259895_100010176088 [1,1,0,0,0,0|2,0,0]=4 3116 B12R1.41 CC=Cc1cc(cc(c1)CC)N 271570a_100016259895_100010074814 [1,1,0,0,0,0|1,0,0]=3 3117 B12R1.41 CC=Cc1cc(cc(c1)CN)F 271570a_100016259895_100020611034 [1,1,0,0,0,0|2,0,0]=4 3118 B12R1.41 CC=Cc1cc(cc(c1)CO)Br 271570a_100016259895_100009814756 [1,1,0,0,0,0|2,0,0]=4 3119 B12R1.41 CC=Cc1cc(cc(c1)CO)C 271570a_100016259895_100000720511 [1,1,0,0,0,0|2,0,0]=4 3120 B12R1.41 CC=Cc1cc(cc(c1)CO)F 271570a_100016259895_100000766897 [1,1,0,0,0,0|2,0,0]=4 3121 B12R1.41 CC=Cc1cc(cc(c1)NC)F 271570a_100016259895_106741647397 [1,1,0,0,0,0|1,0,0]=3 3122 B12R1.41 CC=Cc1cc(cc(c1)OC)Br 271570a_100016259895_100010141301 [1,1,0,0,0,0|0,0,0]=2 3123 B12R1.41 CC=Cc1cc(cc(c1)OC)C 271570a_100016259895_100010187550 [1,1,0,0,0,0|0,0,0]=2 3124 B12R1.41 CC=Cc1cc(cc(c1)OC)Cl 271570a_100016259895_100010147680 [1,1,0,0,0,0|0,0,0]=2 3125 B12R1.41 CC=Cc1cc(cc(c1)OC)F 271570a_100016259895_100011934182 [1,1,0,0,0,0|0,0,0]=2 3126 B12R1.41 CC=Cc1cc(cc(c1)OC)N 271570a_100016259895_100000750983 [1,1,0,0,0,0|0,0,0]=2 3127 B12R1.41 CC=Cc1cc(cc(c1)OC)O 271570a_100016259895_100010068927 [1,1,0,0,0,0|0,0,0]=2 3128 B12R1.41 CC=Cc1cc(cc(c1)SC)C 271570a_100016259895_200010709730 [1,1,0,0,0,0|0,1,0]=3 3129 B12R1.41 CC=Cc1cc(cc(c1)SC)F 271570a_100016259895_200010245467 [1,1,0,0,0,0|0,1,0]=3 3130 B12R1.41 CC=Cc1cc(cc(n1)C)OC 271570a_100016259895_200009849800 [1,1,0,0,0,0|1,0,0]=3 3131 B12R1.41 CC=Cc1cc(cc(n1)N)OC 271570a_100016259895_100010257270 [1,1,0,0,0,0|1,0,0]=3 3132 B12R1.41 CC=Cc1cc(cc(n1)OC)C 271570a_100016259895_100009856763 [1,1,0,0,0,0|1,0,0]=3 3133 B12R1.41 CC=Cc1cc(cc(n1)OC)N 271570a_100016259895_100012187057 [1,1,0,0,0,0|1,0,0]=3 3134 B12R1.41 CC=Cc1cc(nc(c1)OC)C 271570a_100016259895_100010067692 [1,1,0,0,0,0|1,0,0]=3 3135 B12R1.41 CC=Cc1cc(nc(c1)OC)N 271570a_100016259895_100010136845 [1,1,0,0,0,0|1,0,0]=3 3136 B12R1.41 CC=Cc1cc(nc(n1)C)OC 271570a_100016259895_100011686313 [1,1,0,0,0,0|2,0,0]=4 3137 B12R1.41 CC=Cc1cc(nc(n1)N)OC 271570a_100016259895_100000686185 [1,1,0,0,0,0|2,0,0]=4 3138 B12R1.41 CC=Cc1cc(nc(n1)OC)N 271570a_100016259895_100000101663 [1,1,0,0,0,0|2,0,0]=4 3139 B12R1.41 CC=Cc1nc(cc(n1)OC)C 271570a_100016259895_100000755725 [1,1,0,0,0,0|2,0,0]=4 3140 B12R1.41 CCNc1cc(cc(c1)OC)Br 34a_100000750983_100000210202 [1,1,0,0,0,0|1,0,1]=4 3141 B12R1.41 CCNc1cc(cc(c1)OC)Br 7a_100000750983_100000210202 [1,1,0,0,0,0|1,0,1]=4 3142 B12R1.41 CCNc1cc(cc(c1)OC)C 2230a_100012001870_100000210202 [1,1,0,0,0,0|1,0,1]=4 3143 B12R1.41 CCNc1cc(cc(c1)OC)C 34a_100012001870_100000210202 [1,1,0,0,0,0|1,0,1]=4 3144 B12R1.41 CCNc1cc(cc(c1)OC)C 7a_100012001870_100000210202 [1,1,0,0,0,0|1,0,1]=4 3145 B12R1.41 CCNc1cc(cc(c1)OC)Cl 2230a_100000051436_100000210202 [1,1,0,0,0,0|1,0,1]=4 3146 B12R1.41 CCNc1cc(cc(c1)OC)Cl 34a_100000051436_100000210202 [1,1,0,0,0,0|1,0,1]=4 3147 B12R1.41 CCNc1cc(cc(c1)OC)Cl 7a_100000051436_100000210202 [1,1,0,0,0,0|1,0,1]=4 3148 B12R1.41 CCNc1cc(cc(c1)OC)F 2230a_100000687699_100000210202 [1,1,0,0,0,0|1,0,1]=4 3149 B12R1.41 CCNc1cc(cc(c1)OC)F 34a_100000687699_100000210202 [1,1,0,0,0,0|1,0,1]=4 3150 B12R1.41 CCNc1cc(cc(c1)OC)F 7a_100000687699_100000210202 [1,1,0,0,0,0|1,0,1]=4 3151 B12R1.41 CCNc1cc(cc(c1)OC)O 34a_200000692186_100000210202 [1,1,0,0,0,0|1,0,1]=4 3152 B12R1.41 CCOc1cc(cc(c1)OC)Br 34a_100010068927_100000210202 [1,1,0,0,0,0|1,0,1]=4 3153 B12R1.41 CCOc1cc(cc(c1)OC)Br 7a_100010068927_100000210202 [1,1,0,0,0,0|1,0,1]=4 3154 B12R1.41 CCOc1cc(cc(c1)OC)C 34a_100011216608_100000210202 [1,1,0,0,0,0|1,0,1]=4 3155 B12R1.41 CCOc1cc(cc(c1)OC)C 7a_100011216608_100000210202 [1,1,0,0,0,0|1,0,1]=4 3156 B12R1.41 CCOc1cc(cc(c1)OC)Cl 34a_100000051430_100000210202 [1,1,0,0,0,0|1,0,1]=4 3157 B12R1.41 CCOc1cc(cc(c1)OC)Cl 7a_100000051430_100000210202 [1,1,0,0,0,0|1,0,1]=4 3158 B12R1.41 CCOc1cc(cc(c1)OC)F 34a_100011369910_100000210202 [1,1,0,0,0,0|1,0,1]=4 3159 B12R1.41 CCOc1cc(cc(c1)OC)F 7a_100011369910_100000210202 [1,1,0,0,0,0|1,0,1]=4 3160 B12R1.41 CCOc1cc(cc(c1)OC)N 34a_200000692186_100000210202 [1,1,0,0,0,0|1,0,1]=4 3161 B12R1.41 CCOc1cc(cc(c1)OC)N 7a_200000692186_100000210202 [1,1,0,0,0,0|1,0,1]=4 3162 B12R1.41 CCSc1cc(cc(c1)OC)Br 62a_100000210202_100010141301 [1,1,0,0,0,0|1,0,1]=4 3163 B12R1.41 CCSc1cc(cc(c1)OC)Br 62a_100010141301_100000210202 [1,1,0,0,0,0|1,0,1]=4 3164 B12R1.41 CCSc1cc(cc(c1)OC)C 62a_100000210202_100010187550 [1,1,0,0,0,0|1,0,1]=4 3165 B12R1.41 CCSc1cc(cc(c1)OC)Cl 62a_100000210202_100010147680 [1,1,0,0,0,0|1,0,1]=4 3166 B12R1.41 CCSc1cc(cc(c1)OC)Cl 62a_100010147680_100000210202 [1,1,0,0,0,0|1,0,1]=4 3167 B12R1.41 CCSc1cc(cc(c1)OC)F 62a_100000210202_100011934182 [1,1,0,0,0,0|1,0,1]=4 3168 B12R1.41 CCSc1cc(cc(c1)OC)F 62a_100011934182_100000210202 [1,1,0,0,0,0|1,0,1]=4 3169 B12R1.41 CCSc1cc(cc(c1)OC)N 62a_100000210202_100000750983 [1,1,0,0,0,0|1,0,1]=4 3170 B12R1.41 CCSc1cc(cc(c1)OC)N 62a_100000750983_100000210202 [1,1,0,0,0,0|1,0,1]=4 3171 B12R1.41 CCSc1cc(cc(c1)OC)O 62a_100000210202_100010068927 [1,1,0,0,0,0|1,0,1]=4 3172 B12R1.41 CNCc1cc(cc(c1)OC)Br 207a_100102657272_100009816777 [1,1,0,0,0,0|1,0,1]=4 3173 B12R1.41 CNCc1cc(cc(c1)OC)Br 2230a_106832991635_100010162483 [1,1,0,0,0,0|1,0,1]=4 3174 B12R1.41 CNCc1cc(cc(c1)OC)Br 269862a_106832991636_100009816777 [1,1,0,0,0,0|1,0,1]=4 3175 B12R1.41 CNCc1cc(cc(c1)OC)Br 26a_100102657272_100010068927 [1,1,0,0,0,0|1,0,1]=4 3176 B12R1.41 CNCc1cc(cc(c1)OC)Br 270004a_106832991635_100009816777 [1,1,0,0,0,0|1,0,1]=4 3177 B12R1.41 CNCc1cc(cc(c1)OC)Br 34a_100102657272_100010162483 [1,1,0,0,0,0|1,0,1]=4 3178 B12R1.41 CNCc1cc(cc(c1)OC)Br 7a_106832991635_100010162483 [1,1,0,0,0,0|1,0,1]=4 3179 B12R1.41 CNCc1cc(cc(c1)OC)C 207a_100102657272_100000101404 [1,1,0,0,0,0|1,0,1]=4 3180 B12R1.41 CNCc1cc(cc(c1)OC)C 270004a_106832991635_100000101404 [1,1,0,0,0,0|1,0,1]=4 3181 B12R1.41 CNCc1cc(cc(c1)OC)Cl 207a_100102657272_100000087488 [1,1,0,0,0,0|1,0,1]=4 3182 B12R1.41 CNCc1cc(cc(c1)OC)Cl 2230a_106744500063_200000210301 [1,1,0,0,0,0|1,0,1]=4 3183 B12R1.41 CNCc1cc(cc(c1)OC)Cl 2230a_106832991635_100010188059 [1,1,0,0,0,0|1,0,1]=4 3184 B12R1.41 CNCc1cc(cc(c1)OC)Cl 26a_100102657272_100000051430 [1,1,0,0,0,0|1,0,1]=4 3185 B12R1.41 CNCc1cc(cc(c1)OC)Cl 270004a_106832991635_100000087488 [1,1,0,0,0,0|1,0,1]=4 3186 B12R1.41 CNCc1cc(cc(c1)OC)Cl 34a_100102657272_100010188059 [1,1,0,0,0,0|1,0,1]=4 3187 B12R1.41 CNCc1cc(cc(c1)OC)Cl 34a_106744500063_200000210301 [1,1,0,0,0,0|1,0,1]=4 3188 B12R1.41 CNCc1cc(cc(c1)OC)Cl 7a_106832991635_100010188059 [1,1,0,0,0,0|1,0,1]=4 3189 B12R1.41 CNCc1cc(cc(c1)OC)F 207a_100102657272_100011934815 [1,1,0,0,0,0|1,0,1]=4 3190 B12R1.41 CNCc1cc(cc(c1)OC)F 2230a_100000696013_200000210301 [1,1,0,0,0,0|1,0,1]=4 3191 B12R1.41 CNCc1cc(cc(c1)OC)F 2230a_106832991635_100011934817 [1,1,0,0,0,0|1,0,1]=4 3192 B12R1.41 CNCc1cc(cc(c1)OC)F 270004a_106832991635_100011934815 [1,1,0,0,0,0|1,0,1]=4 3193 B12R1.41 CNCc1cc(cc(c1)OC)F 34a_100000696013_200000210301 [1,1,0,0,0,0|1,0,1]=4 3194 B12R1.41 CNCc1cc(cc(c1)OC)F 34a_100102657272_100011934817 [1,1,0,0,0,0|1,0,1]=4 3195 B12R1.41 CNCc1cc(cc(c1)OC)F 7a_106832991635_100011934817 [1,1,0,0,0,0|1,0,1]=4 3196 B12R1.41 CNCc1cc(cc(c1)OC)O 207a_100102657272_100009856911 [1,1,0,0,0,0|1,0,1]=4 3197 B12R1.41 CNCc1cc(cc(c1)OC)O 270004a_106832991635_100009856911 [1,1,0,0,0,0|1,0,1]=4 3198 B12R1.41 COCc1cc(cc(c1)OC)Br 34a_100009995317_200000210301 [1,1,0,0,0,0|1,0,1]=4 3199 B12R1.41 COCc1cc(cc(c1)OC)Br 34a_100138415774_100010162483 [1,1,0,0,0,0|1,0,1]=4 3200 B12R1.41 COCc1cc(cc(c1)OC)Br 7a_100009995317_200000210301 [1,1,0,0,0,0|1,0,1]=4 3201 B12R1.41 COCc1cc(cc(c1)OC)C 34a_100009863105_200000210301 [1,1,0,0,0,0|1,0,1]=4 3202 B12R1.41 COCc1cc(cc(c1)OC)C 7a_100009863105_200000210301 [1,1,0,0,0,0|1,0,1]=4 3203 B12R1.41 COCc1cc(cc(c1)OC)Cl 34a_100000087487_200000210301 [1,1,0,0,0,0|1,0,1]=4 3204 B12R1.41 COCc1cc(cc(c1)OC)Cl 34a_100138415774_100010188059 [1,1,0,0,0,0|1,0,1]=4 3205 B12R1.41 COCc1cc(cc(c1)OC)Cl 7a_100000087487_200000210301 [1,1,0,0,0,0|1,0,1]=4 3206 B12R1.41 COCc1cc(cc(c1)OC)F 34a_100011934816_200000210301 [1,1,0,0,0,0|1,0,1]=4 3207 B12R1.41 COCc1cc(cc(c1)OC)F 34a_100138415774_100011934817 [1,1,0,0,0,0|1,0,1]=4 3208 B12R1.41 COCc1cc(cc(c1)OC)F 7a_100011934816_200000210301 [1,1,0,0,0,0|1,0,1]=4 3209 B12R1.41 COCc1cc(cc(c1)OC)N 34a_100012182899_200000210301 [1,1,0,0,0,0|1,0,1]=4 3210 B12R1.41 COc1cc(cc(c1)CN[13CH3])Cl 2230a_106744500063_200025704644 [1,1,0,0,0,0|1,0,1]=4 3211 B12R1.41 COc1cc(cc(c1)CN[13CH3])Cl 34a_106744500063_200025704644 [1,1,0,0,0,0|1,0,1]=4 3212 B12R1.41 COc1cc(cc(c1)CN[13CH3])F 2230a_100000696013_200025704644 [1,1,0,0,0,0|1,0,1]=4 3213 B12R1.41 COc1cc(cc(c1)CN[13CH3])F 34a_100000696013_200025704644 [1,1,0,0,0,0|1,0,1]=4 3214 B12R1.41 COc1cc(cc(c1)CO[13CH3])Br 34a_100009995317_200025704644 [1,1,0,0,0,0|1,0,1]=4 3215 B12R1.41 COc1cc(cc(c1)CO[13CH3])Br 7a_100009995317_200025704644 [1,1,0,0,0,0|1,0,1]=4 3216 B12R1.41 COc1cc(cc(c1)CO[13CH3])C 34a_100009863105_200025704644 [1,1,0,0,0,0|1,0,1]=4 3217 B12R1.41 COc1cc(cc(c1)CO[13CH3])C 7a_100009863105_200025704644 [1,1,0,0,0,0|1,0,1]=4 3218 B12R1.41 COc1cc(cc(c1)CO[13CH3])Cl 34a_100000087487_200025704644 [1,1,0,0,0,0|1,0,1]=4 3219 B12R1.41 COc1cc(cc(c1)CO[13CH3])Cl 7a_100000087487_200025704644 [1,1,0,0,0,0|1,0,1]=4 3220 B12R1.41 COc1cc(cc(c1)CO[13CH3])F 34a_100011934816_200025704644 [1,1,0,0,0,0|1,0,1]=4 3221 B12R1.41 COc1cc(cc(c1)CO[13CH3])F 7a_100011934816_200025704644 [1,1,0,0,0,0|1,0,1]=4 3222 B12R1.41 COc1cc(cc(c1)CO[13CH3])N 34a_100012182899_200025704644 [1,1,0,0,0,0|1,0,1]=4 3223 B12R1.41 COc1cc(cc(c1)CSC)Br 62a_100010162483_200000210301 [1,1,0,0,0,0|1,0,1]=4 3224 B12R1.41 COc1cc(cc(c1)CSC)Br 62a_200000210301_100010162483 [1,1,0,0,0,0|1,0,1]=4 3225 B12R1.41 COc1cc(cc(c1)CSC)Cl 62a_100010188059_200000210301 [1,1,0,0,0,0|1,0,1]=4 3226 B12R1.41 COc1cc(cc(c1)CSC)Cl 62a_200000210301_100010188059 [1,1,0,0,0,0|1,0,1]=4 3227 B12R1.41 COc1cc(cc(c1)CSC)F 62a_100011934817_200000210301 [1,1,0,0,0,0|1,0,1]=4 3228 B12R1.41 COc1cc(cc(c1)CSC)F 62a_200000210301_100011934817 [1,1,0,0,0,0|1,0,1]=4 3229 B12R1.41 COc1cc(cc(c1)CS[13CH3])Br 62a_100010162483_200025704644 [1,1,0,0,0,0|1,0,1]=4 3230 B12R1.41 COc1cc(cc(c1)CS[13CH3])Br 62a_200025704644_100010162483 [1,1,0,0,0,0|1,0,1]=4 3231 B12R1.41 COc1cc(cc(c1)CS[13CH3])Cl 62a_100010188059_200025704644 [1,1,0,0,0,0|1,0,1]=4 3232 B12R1.41 COc1cc(cc(c1)CS[13CH3])Cl 62a_200025704644_100010188059 [1,1,0,0,0,0|1,0,1]=4 3233 B12R1.41 COc1cc(cc(c1)CS[13CH3])F 62a_100011934817_200025704644 [1,1,0,0,0,0|1,0,1]=4 3234 B12R1.41 COc1cc(cc(c1)CS[13CH3])F 62a_200025704644_100011934817 [1,1,0,0,0,0|1,0,1]=4 3235 B12R1.270 C=C=Cc1cc(ccc1Br)OC 271570a_100015277604_100009992028 [1,1,0,0,0,0|0,0,2]=4 3236 B12R1.270 C=C=Cc1cc(ccc1C)OC 271570a_100015277604_100012349166 [1,1,0,0,0,0|0,0,2]=4 3237 B12R1.270 C=C=Cc1cc(ccc1Cl)OC 271570a_100015277604_100011356938 [1,1,0,0,0,0|0,0,2]=4 3238 B12R1.270 C=C=Cc1cc(ccc1F)OC 271570a_100015277604_100000699733 [1,1,0,0,0,0|0,0,2]=4 3239 B12R1.270 C=C=Cc1cc(ccc1N)OC 271570a_100015277604_100015195136 [1,1,0,0,0,0|0,0,2]=4 3240 B12R1.270 C=C=Cc1cc(ccc1O)OC 271570a_100015277604_100000685887 [1,1,0,0,0,0|0,0,2]=4 3241 B12R1.270 CC=Cc1cc(ccc1Br)C#N 271570a_100016259895_100012349583 [1,1,0,0,0,0|2,0,0]=4 3242 B12R1.270 CC=Cc1cc(ccc1Br)C=O 271570a_100016259895_100010146563 [1,1,0,0,0,0|2,0,0]=4 3243 B12R1.270 CC=Cc1cc(ccc1Br)OC 271570a_100016259895_100009992028 [1,1,0,0,0,0|0,0,0]=2 3244 B12R1.270 CC=Cc1cc(ccc1C)C#N 271570a_100016259895_100000690169 [1,1,0,0,0,0|2,0,0]=4 3245 B12R1.270 CC=Cc1cc(ccc1C)C=O 271570a_100016259895_100000695567 [1,1,0,0,0,0|2,0,0]=4 3246 B12R1.270 CC=Cc1cc(ccc1C)CO 271570a_100016259895_100000050133 [1,1,0,0,0,0|2,0,0]=4 3247 B12R1.270 CC=Cc1cc(ccc1C)NC 271570a_100016259895_100000707694 [1,1,0,0,0,0|1,0,0]=3 3248 B12R1.270 CC=Cc1cc(ccc1C)NN 271570a_100016259895_100016991967 [1,1,0,0,0,0|2,0,0]=4 3249 B12R1.270 CC=Cc1cc(ccc1C)OC 271570a_100016259895_100012349166 [1,1,0,0,0,0|0,0,0]=2 3250 B12R1.270 CC=Cc1cc(ccc1Cl)C#N 271570a_100016259895_100010199462 [1,1,0,0,0,0|2,0,0]=4 3251 B12R1.270 CC=Cc1cc(ccc1Cl)C=O 271570a_100016259895_100010209939 [1,1,0,0,0,0|2,0,0]=4 3252 B12R1.270 CC=Cc1cc(ccc1Cl)OC 271570a_100016259895_100011356938 [1,1,0,0,0,0|0,0,0]=2 3253 B12R1.270 CC=Cc1cc(ccc1F)C#N 271570a_100016259895_100000188605 [1,1,0,0,0,0|2,0,0]=4 3254 B12R1.270 CC=Cc1cc(ccc1F)C=O 271570a_100016259895_100000211747 [1,1,0,0,0,0|2,0,0]=4 3255 B12R1.270 CC=Cc1cc(ccc1F)CC 271570a_100016259895_200010244628 [1,1,0,0,0,0|1,0,0]=3 3256 B12R1.270 CC=Cc1cc(ccc1F)CN 271570a_100016259895_100015193890 [1,1,0,0,0,0|2,0,0]=4 3257 B12R1.270 CC=Cc1cc(ccc1F)CO 271570a_100016259895_100000246287 [1,1,0,0,0,0|2,0,0]=4 3258 B12R1.270 CC=Cc1cc(ccc1F)NN 271570a_100016259895_200025705588 [1,1,0,0,0,0|2,0,0]=4 3259 B12R1.270 CC=Cc1cc(ccc1F)OC 271570a_100016259895_100000699733 [1,1,0,0,0,0|0,0,0]=2 3260 B12R1.270 CC=Cc1cc(ccc1F)SC 271570a_100016259895_200010708804 [1,1,0,0,0,0|0,1,0]=3 3261 B12R1.270 CC=Cc1cc(ccc1N)C#N 271570a_100016259895_100000736769 [1,1,0,0,0,0|2,0,0]=4 3262 B12R1.270 CC=Cc1cc(ccc1N)CC 271570a_100016259895_100012339725 [1,1,0,0,0,0|1,0,0]=3 3263 B12R1.270 CC=Cc1cc(ccc1N)OC 271570a_100016259895_100015195136 [1,1,0,0,0,0|0,0,0]=2 3264 B12R1.270 CC=Cc1cc(ccc1O)C#N 271570a_100016259895_100000725478 [1,1,0,0,0,0|2,0,0]=4 3265 B12R1.270 CC=Cc1cc(ccc1O)C=O 271570a_100016259895_100000184552 [1,1,0,0,0,0|2,0,0]=4 3266 B12R1.270 CC=Cc1cc(ccc1O)CC 271570a_100016259895_100012339963 [1,1,0,0,0,0|1,0,0]=3 3267 B12R1.270 CC=Cc1cc(ccc1O)CO 271570a_100016259895_100011191544 [1,1,0,0,0,0|2,0,0]=4 3268 B12R1.270 CC=Cc1cc(ccc1O)OC 271570a_100016259895_100000685887 [1,1,0,0,0,0|0,0,0]=2 3269 B12R1.270 CC=Cc1cc(cnc1F)OC 271570a_100016259895_100010068374 [1,1,0,0,0,0|1,0,0]=3 3270 B12R1.270 CC=Cc1cc(ncc1C)OC 271570a_100016259895_100010068546 [1,1,0,0,0,0|1,0,0]=3 3271 B12R1.270 CC=Cc1cc(ncc1Cl)OC 271570a_100016259895_100010068019 [1,1,0,0,0,0|1,0,0]=3 3272 B12R1.270 CC=Cc1cc(ncc1F)OC 271570a_100016259895_100010160775 [1,1,0,0,0,0|1,0,0]=3 3273 B12R1.270 CC=Cc1nc(ccc1N)OC 271570a_100016259895_100000069805 [1,1,0,0,0,0|1,0,0]=3 3274 B12R1.270 CC=Cc1nc(ncc1F)OC 271570a_100016259895_100000094299 [1,1,0,0,0,0|2,0,0]=4 3275 B12R1.270 CCNc1cc(ccc1Br)OC 34a_100000748603_100000210202 [1,1,0,0,0,0|1,0,1]=4 3276 B12R1.270 CCNc1cc(ccc1C)OC 2230a_100000760359_100000210202 [1,1,0,0,0,0|1,0,1]=4 3277 B12R1.270 CCNc1cc(ccc1C)OC 34a_100000211784_200000210301 [1,1,0,0,0,0|1,0,1]=4 3278 B12R1.270 CCNc1cc(ccc1C)OC 34a_100000760359_100000210202 [1,1,0,0,0,0|1,0,1]=4 3279 B12R1.270 CCNc1cc(ccc1C)OC 7a_100000211784_200000210301 [1,1,0,0,0,0|1,0,1]=4 3280 B12R1.270 CCNc1cc(ccc1C)O[13CH3] 34a_100000211784_200025704644 [1,1,0,0,0,0|1,0,1]=4 3281 B12R1.270 CCNc1cc(ccc1C)O[13CH3] 7a_100000211784_200025704644 [1,1,0,0,0,0|1,0,1]=4 3282 B12R1.270 CCNc1cc(ccc1Cl)OC 34a_100000745576_100000210202 [1,1,0,0,0,0|1,0,1]=4 3283 B12R1.270 CCNc1cc(ccc1F)OC 34a_100000764331_100000210202 [1,1,0,0,0,0|1,0,1]=4 3284 B12R1.270 CCNc1cc(ccc1I)OC 34a_100000748021_100000210202 [1,1,0,0,0,0|1,0,1]=4 3285 B12R1.270 CCNc1cc(ccc1O)OC 34a_100000188146_100000210202 [1,1,0,0,0,0|1,0,1]=4 3286 B12R1.270 CCOc1cc(ccc1Br)OC 34a_100000719091_100000210202 [1,1,0,0,0,0|1,0,1]=4 3287 B12R1.270 CCOc1cc(ccc1Br)OC 7a_100000719091_100000210202 [1,1,0,0,0,0|1,0,1]=4 3288 B12R1.270 CCOc1cc(ccc1C)OC 34a_100012179981_100000210202 [1,1,0,0,0,0|1,0,1]=4 3289 B12R1.270 CCOc1cc(ccc1C)OC 7a_100012179981_100000210202 [1,1,0,0,0,0|1,0,1]=4 3290 B12R1.270 CCOc1cc(ccc1Cl)OC 34a_100011516019_100000210202 [1,1,0,0,0,0|1,0,1]=4 3291 B12R1.270 CCOc1cc(ccc1Cl)OC 7a_100011516019_100000210202 [1,1,0,0,0,0|1,0,1]=4 3292 B12R1.270 CCOc1cc(ccc1F)OC 34a_100012178750_100000210202 [1,1,0,0,0,0|1,0,1]=4 3293 B12R1.270 CCOc1cc(ccc1F)OC 7a_100012178750_100000210202 [1,1,0,0,0,0|1,0,1]=4 3294 B12R1.270 CCOc1cc(ccc1I)OC 34a_100010168831_100000210202 [1,1,0,0,0,0|1,0,1]=4 3295 B12R1.270 CCOc1cc(ccc1I)OC 7a_100010168831_100000210202 [1,1,0,0,0,0|1,0,1]=4 3296 B12R1.270 CCOc1cc(ccc1N)OC 34a_100016989039_100000210202 [1,1,0,0,0,0|1,0,1]=4 3297 B12R1.270 CCOc1cc(ccc1N)OC 7a_100016989039_100000210202 [1,1,0,0,0,0|1,0,1]=4 3298 B12R1.270 CCSc1cc(ccc1Br)OC 62a_100000210202_100009992028 [1,1,0,0,0,0|1,0,1]=4 3299 B12R1.270 CCSc1cc(ccc1Br)OC 62a_100009992028_100000210202 [1,1,0,0,0,0|1,0,1]=4 3300 B12R1.270 CCSc1cc(ccc1C)OC 62a_100000210202_100012349166 [1,1,0,0,0,0|1,0,1]=4 3301 B12R1.270 CCSc1cc(ccc1C)OC 62a_100012349166_100000210202 [1,1,0,0,0,0|1,0,1]=4 3302 B12R1.270 CCSc1cc(ccc1Cl)OC 62a_100000210202_100011356938 [1,1,0,0,0,0|1,0,1]=4 3303 B12R1.270 CCSc1cc(ccc1Cl)OC 62a_100011356938_100000210202 [1,1,0,0,0,0|1,0,1]=4 3304 B12R1.270 CCSc1cc(ccc1F)OC 62a_100000210202_100000699733 [1,1,0,0,0,0|1,0,1]=4 3305 B12R1.270 CCSc1cc(ccc1F)OC 62a_100000699733_100000210202 [1,1,0,0,0,0|1,0,1]=4 3306 B12R1.270 CCSc1cc(ccc1N)OC 62a_100000210202_100015195136 [1,1,0,0,0,0|1,0,1]=4 3307 B12R1.270 CCSc1cc(ccc1N)OC 62a_100015195136_100000210202 [1,1,0,0,0,0|1,0,1]=4 3308 B12R1.270 CCSc1cc(ccc1O)OC 62a_100000210202_100000685887 [1,1,0,0,0,0|1,0,1]=4 3309 B12R1.270 CNCc1cc(ccc1Br)OC 207a_100102657272_100000691568 [1,1,0,0,0,0|1,0,1]=4 3310 B12R1.270 CNCc1cc(ccc1Br)OC 2230a_100000741592_200000210301 [1,1,0,0,0,0|1,0,1]=4 3311 B12R1.270 CNCc1cc(ccc1Br)OC 2230a_106832991635_100000761528 [1,1,0,0,0,0|1,0,1]=4 3312 B12R1.270 CNCc1cc(ccc1Br)OC 26a_100102657272_100000719091 [1,1,0,0,0,0|1,0,1]=4 3313 B12R1.270 CNCc1cc(ccc1Br)OC 270004a_106832991635_100000691568 [1,1,0,0,0,0|1,0,1]=4 3314 B12R1.270 CNCc1cc(ccc1Br)OC 34a_100000741592_200000210301 [1,1,0,0,0,0|1,0,1]=4 3315 B12R1.270 CNCc1cc(ccc1Br)OC 34a_100102657272_100000761528 [1,1,0,0,0,0|1,0,1]=4 3316 B12R1.270 CNCc1cc(ccc1Br)OC 7a_106832991635_100000761528 [1,1,0,0,0,0|1,0,1]=4 3317 B12R1.270 CNCc1cc(ccc1C)OC 207a_100102657272_100012017359 [1,1,0,0,0,0|1,0,1]=4 3318 B12R1.270 CNCc1cc(ccc1C)OC 270004a_106832991635_100012017359 [1,1,0,0,0,0|1,0,1]=4 3319 B12R1.270 CNCc1cc(ccc1C)OC 34a_100012180165_200000210301 [1,1,0,0,0,0|1,0,1]=4 3320 B12R1.270 CNCc1cc(ccc1Cl)OC 207a_100102657272_100000117592 [1,1,0,0,0,0|1,0,1]=4 3321 B12R1.270 CNCc1cc(ccc1Cl)OC 2230a_106832991635_100000718613 [1,1,0,0,0,0|1,0,1]=4 3322 B12R1.270 CNCc1cc(ccc1Cl)OC 26a_100102657272_100011516019 [1,1,0,0,0,0|1,0,1]=4 3323 B12R1.270 CNCc1cc(ccc1Cl)OC 270004a_106832991635_100000117592 [1,1,0,0,0,0|1,0,1]=4 3324 B12R1.270 CNCc1cc(ccc1Cl)OC 34a_100102657272_100000718613 [1,1,0,0,0,0|1,0,1]=4 3325 B12R1.270 CNCc1cc(ccc1Cl)OC 7a_106832991635_100000718613 [1,1,0,0,0,0|1,0,1]=4 3326 B12R1.270 CNCc1cc(ccc1F)OC 207a_100102657272_100000034340 [1,1,0,0,0,0|1,0,1]=4 3327 B12R1.270 CNCc1cc(ccc1F)OC 2230a_106832991635_100010243555 [1,1,0,0,0,0|1,0,1]=4 3328 B12R1.270 CNCc1cc(ccc1F)OC 270004a_106832991635_100000034340 [1,1,0,0,0,0|1,0,1]=4 3329 B12R1.270 CNCc1cc(ccc1F)OC 34a_100016995475_200000210301 [1,1,0,0,0,0|1,0,1]=4 3330 B12R1.270 CNCc1cc(ccc1F)OC 34a_100102657272_100010243555 [1,1,0,0,0,0|1,0,1]=4 3331 B12R1.270 CNCc1cc(ccc1F)OC 7a_106832991635_100010243555 [1,1,0,0,0,0|1,0,1]=4 3332 B12R1.270 CNCc1cc(ccc1I)OC 207a_100102657272_100010075557 [1,1,0,0,0,0|1,0,1]=4 3333 B12R1.270 CNCc1cc(ccc1I)OC 270004a_106832991635_100010075557 [1,1,0,0,0,0|1,0,1]=4 3334 B12R1.270 COCc1cc(ccc1Br)OC 34a_100138415774_100000761528 [1,1,0,0,0,0|1,0,1]=4 3335 B12R1.270 COCc1cc(ccc1Br)OC 34a_200011273942_200000210301 [1,1,0,0,0,0|1,0,1]=4 3336 B12R1.270 COCc1cc(ccc1Br)OC 7a_200011273942_200000210301 [1,1,0,0,0,0|1,0,1]=4 3337 B12R1.270 COCc1cc(ccc1C)OC 34a_100009841904_200000210301 [1,1,0,0,0,0|1,0,1]=4 3338 B12R1.270 COCc1cc(ccc1C)OC 7a_100009841904_200000210301 [1,1,0,0,0,0|1,0,1]=4 3339 B12R1.270 COCc1cc(ccc1Cl)OC 34a_100138415774_100000718613 [1,1,0,0,0,0|1,0,1]=4 3340 B12R1.270 COCc1cc(ccc1F)OC 34a_100000067870_200000210301 [1,1,0,0,0,0|1,0,1]=4 3341 B12R1.270 COCc1cc(ccc1F)OC 34a_100138415774_100010243555 [1,1,0,0,0,0|1,0,1]=4 3342 B12R1.270 COCc1cc(ccc1F)OC 7a_100000067870_200000210301 [1,1,0,0,0,0|1,0,1]=4 3343 B12R1.270 COCc1cc(ccc1N)OC 34a_100012001277_200000210301 [1,1,0,0,0,0|1,0,1]=4 3344 B12R1.270 COc1ccc(c(c1)CN[13CH3])Br 2230a_100000741592_200025704644 [1,1,0,0,0,0|1,0,1]=4 3345 B12R1.270 COc1ccc(c(c1)CN[13CH3])Br 34a_100000741592_200025704644 [1,1,0,0,0,0|1,0,1]=4 3346 B12R1.270 COc1ccc(c(c1)CN[13CH3])C 34a_100012180165_200025704644 [1,1,0,0,0,0|1,0,1]=4 3347 B12R1.270 COc1ccc(c(c1)CN[13CH3])F 34a_100016995475_200025704644 [1,1,0,0,0,0|1,0,1]=4 3348 B12R1.270 COc1ccc(c(c1)CO[13CH3])Br 34a_200011273942_200025704644 [1,1,0,0,0,0|1,0,1]=4 3349 B12R1.270 COc1ccc(c(c1)CO[13CH3])Br 7a_200011273942_200025704644 [1,1,0,0,0,0|1,0,1]=4 3350 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 34a_100009841904_200025704644 [1,1,0,0,0,0|1,0,1]=4 3351 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 7a_100009841904_200025704644 [1,1,0,0,0,0|1,0,1]=4 3352 B12R1.270 COc1ccc(c(c1)CO[13CH3])F 34a_100000067870_200025704644 [1,1,0,0,0,0|1,0,1]=4 3353 B12R1.270 COc1ccc(c(c1)CO[13CH3])F 7a_100000067870_200025704644 [1,1,0,0,0,0|1,0,1]=4 3354 B12R1.270 COc1ccc(c(c1)CO[13CH3])N 34a_100012001277_200025704644 [1,1,0,0,0,0|1,0,1]=4 3355 B12R1.270 COc1ccc(c(c1)CSC)Br 62a_100000761528_200000210301 [1,1,0,0,0,0|1,0,1]=4 3356 B12R1.270 COc1ccc(c(c1)CSC)Br 62a_200000210301_100000761528 [1,1,0,0,0,0|1,0,1]=4 3357 B12R1.270 COc1ccc(c(c1)CSC)Cl 62a_100000718613_200000210301 [1,1,0,0,0,0|1,0,1]=4 3358 B12R1.270 COc1ccc(c(c1)CSC)Cl 62a_200000210301_100000718613 [1,1,0,0,0,0|1,0,1]=4 3359 B12R1.270 COc1ccc(c(c1)CSC)F 62a_100010243555_200000210301 [1,1,0,0,0,0|1,0,1]=4 3360 B12R1.270 COc1ccc(c(c1)CSC)F 62a_200000210301_100010243555 [1,1,0,0,0,0|1,0,1]=4 3361 B12R1.270 COc1ccc(c(c1)CS[13CH3])Br 62a_100000761528_200025704644 [1,1,0,0,0,0|1,0,1]=4 3362 B12R1.270 COc1ccc(c(c1)CS[13CH3])Br 62a_200025704644_100000761528 [1,1,0,0,0,0|1,0,1]=4 3363 B12R1.270 COc1ccc(c(c1)CS[13CH3])Cl 62a_100000718613_200025704644 [1,1,0,0,0,0|1,0,1]=4 3364 B12R1.270 COc1ccc(c(c1)CS[13CH3])Cl 62a_200025704644_100000718613 [1,1,0,0,0,0|1,0,1]=4 3365 B12R1.270 COc1ccc(c(c1)CS[13CH3])F 62a_100010243555_200025704644 [1,1,0,0,0,0|1,0,1]=4 3366 B12R1.270 COc1ccc(c(c1)CS[13CH3])F 62a_200025704644_100010243555 [1,1,0,0,0,0|1,0,1]=4 3367 B12R1.278 C=C=Cc1cccc(c1)COC 271570a_100015277604_100011493687 [1,1,0,0,0,0|0,0,2]=4 3368 B12R1.278 C=C=Cc1cccc(c1)OCC 271570a_100015277604_100000170002 [1,1,0,0,0,0|0,0,2]=4 3369 B12R1.278 C=CCc1cccc(c1)C=CC 271570a_100016259895_100009816576 [1,1,0,0,0,0|1,0,1]=4 3370 B12R1.278 CC#Cc1cccc(c1)C=CC 271570a_100016259895_200009843338 [1,1,0,0,0,0|1,0,0]=3 3371 B12R1.278 CC=Cc1cc(ccn1)OCC 271570a_100016259895_100011922638 [1,1,0,0,0,0|1,0,0]=3 3372 B12R1.278 CC=Cc1cc(ncn1)COC 271570a_100016259895_100000688101 [1,1,0,0,0,0|2,0,0]=4 3373 B12R1.278 CC=Cc1cc(ncn1)OCC 271570a_100016259895_100000765465 [1,1,0,0,0,0|2,0,0]=4 3374 B12R1.278 CC=Cc1cccc(c1)CC#N 271570a_100016259895_100000034040 [1,1,0,0,0,0|1,0,1]=4 3375 B12R1.278 CC=Cc1cccc(c1)CC=O 271570a_100016259895_200000698211 [1,1,0,0,0,0|1,0,1]=4 3376 B12R1.278 CC=Cc1cccc(c1)CCC 271570a_100016259895_100000694964 [1,1,0,0,0,0|1,0,0]=3 3377 B12R1.278 CC=Cc1cccc(c1)CCN 271570a_100016259895_100011207229 [1,1,0,0,0,0|1,0,0]=3 3378 B12R1.278 CC=Cc1cccc(c1)CCO 271570a_100016259895_100011217444 [1,1,0,0,0,0|1,0,0]=3 3379 B12R1.278 CC=Cc1cccc(c1)CNC 271570a_100016259895_100000187585 [1,1,0,0,0,0|1,0,0]=3 3380 B12R1.278 CC=Cc1cccc(c1)CNN 271570a_100016259895_100000686200 [1,1,0,0,0,0|2,0,0]=4 3381 B12R1.278 CC=Cc1cccc(c1)COC 271570a_100016259895_100011493687 [1,1,0,0,0,0|0,0,0]=2 3382 B12R1.278 CC=Cc1cccc(c1)N=[N+]=[N-] 271570a_100016259895_100000735707 [1,1,0,0,0,0|2,0,0]=4 3383 B12R1.278 CC=Cc1cccc(c1)NCC 271570a_100016259895_100000738899 [1,1,0,0,0,0|1,0,0]=3 3384 B12R1.278 CC=Cc1cccc(c1)OCC 271570a_100016259895_100000170002 [1,1,0,0,0,0|0,0,0]=2 3385 B12R1.278 CC=Cc1cccc(c1)SCC 271570a_100016259895_100000703699 [1,1,0,0,0,0|0,1,0]=3 3386 B12R1.278 CC=Cc1cccc(n1)CCO 271570a_100016259895_100010221043 [1,1,0,0,0,0|2,0,0]=4 3387 B12R1.278 CC=Cc1cccc(n1)CNC 271570a_100016259895_106354212997 [1,1,0,0,0,0|2,0,0]=4 3388 B12R1.278 CC=Cc1cccc(n1)NCC 271570a_100016259895_200020678610 [1,1,0,0,0,0|2,0,0]=4 3389 B12R1.278 CC=Cc1cccc(n1)OCC 271570a_100016259895_100000752924 [1,1,0,0,0,0|1,0,0]=3 3390 B12R1.278 CC=Cc1ccnc(c1)CNC 271570a_100016259895_100102954512 [1,1,0,0,0,0|2,0,0]=4 3391 B12R1.278 CC=Cc1ccnc(c1)OCC 271570a_100016259895_100009995528 [1,1,0,0,0,0|1,0,0]=3 3392 B12R1.278 CC=Cc1cncc(c1)CNC 271570a_100016259895_103549770560 [1,1,0,0,0,0|2,0,0]=4 3393 B12R1.278 CC=Cc1cncc(c1)OCC 271570a_100016259895_100012029586 [1,1,0,0,0,0|1,0,0]=3 3394 B12R1.278 CC=Cc1cncc(n1)OCC 271570a_100016259895_100000757043 [1,1,0,0,0,0|2,0,0]=4 3395 B12R1.278 CC=Cc1nccc(n1)OCC 271570a_100016259895_100011649779 [1,1,0,0,0,0|2,0,0]=4 3396 B12R1.278 CCCc1cccc(c1)OCC 34a_100000039106_100000210202 [1,1,0,0,0,0|0,0,2]=4 3397 B12R1.278 CCCc1cccc(c1)OCC 7a_100000039106_100000210202 [1,1,0,0,0,0|0,0,2]=4 3398 B12R1.278 CCCc1cccc(c1)OCF 34a_100000039106_100015361967 [1,1,0,0,0,0|0,0,2]=4 3399 B12R1.278 CCCc1cccc(c1)OCF 7a_100000039106_100015361967 [1,1,0,0,0,0|0,0,2]=4 3400 B12R1.278 CCNc1cccc(c1)COC 2230a_100000737370_100000210202 [1,1,0,0,0,0|1,0,1]=4 3401 B12R1.278 CCNc1cccc(c1)COC 34a_100000737370_100000210202 [1,1,0,0,0,0|1,0,1]=4 3402 B12R1.278 CCNc1cccc(c1)OCC 2230a_100000742568_100000210202 [1,1,0,0,0,0|1,0,1]=4 3403 B12R1.278 CCNc1cccc(c1)OCC 34a_100000717746_100000210202 [1,1,0,0,0,0|1,0,1]=4 3404 B12R1.278 CCNc1cccc(c1)OCC 34a_100000742568_100000210202 [1,1,0,0,0,0|1,0,1]=4 3405 B12R1.278 CCNc1cccc(c1)OCC 7a_100000717746_100000210202 [1,1,0,0,0,0|1,0,1]=4 3406 B12R1.278 CCNc1cccc(c1)OCF 34a_100000717746_100015361967 [1,1,0,0,0,0|1,0,1]=4 3407 B12R1.278 CCNc1cccc(c1)OCF 7a_100000717746_100015361967 [1,1,0,0,0,0|1,0,1]=4 3408 B12R1.278 CCOc1cccc(c1)CNC 207a_100102657272_100000170239 [1,1,0,0,0,0|1,0,1]=4 3409 B12R1.278 CCOc1cccc(c1)CNC 2230a_106359896916_200000210301 [1,1,0,0,0,0|1,0,1]=4 3410 B12R1.278 CCOc1cccc(c1)CNC 270004a_106832991635_100000170239 [1,1,0,0,0,0|1,0,1]=4 3411 B12R1.278 CCOc1cccc(c1)CNC 34a_100000207540_100000210202 [1,1,0,0,0,0|1,0,1]=4 3412 B12R1.278 CCOc1cccc(c1)CNC 34a_106359896916_200000210301 [1,1,0,0,0,0|1,0,1]=4 3413 B12R1.278 CCOc1cccc(c1)CN[13CH3] 2230a_106359896916_200025704644 [1,1,0,0,0,0|1,0,1]=4 3414 B12R1.278 CCOc1cccc(c1)CN[13CH3] 34a_106359896916_200025704644 [1,1,0,0,0,0|1,0,1]=4 3415 B12R1.278 CCOc1cccc(c1)COC 34a_200011232711_200000210301 [1,1,0,0,0,0|1,0,1]=4 3416 B12R1.278 CCOc1cccc(c1)COC 7a_200011232711_200000210301 [1,1,0,0,0,0|1,0,1]=4 3417 B12R1.278 CCOc1cccc(c1)CO[13CH3] 34a_200011232711_200025704644 [1,1,0,0,0,0|1,0,1]=4 3418 B12R1.278 CCOc1cccc(c1)CO[13CH3] 7a_200011232711_200025704644 [1,1,0,0,0,0|1,0,1]=4 3419 B12R1.278 CCOc1cccc(c1)OCC 34a_100011215941_100000210202 [1,1,0,0,0,0|1,0,1]=4 3420 B12R1.278 CCOc1cccc(c1)OCC 7a_100011215941_100000210202 [1,1,0,0,0,0|1,0,1]=4 3421 B12R1.278 CCOc1cccc(c1)OCF 34a_100011215941_100015361967 [1,1,0,0,0,0|1,0,1]=4 3422 B12R1.278 CCOc1cccc(c1)OCF 7a_100011215941_100015361967 [1,1,0,0,0,0|1,0,1]=4 3423 B12R1.278 CCOc1cccc(c1)SCC 62a_100000210202_100000170002 [1,1,0,0,0,0|1,0,1]=4 3424 B12R1.278 CCSc1cccc(c1)COC 62a_100000210202_100011493687 [1,1,0,0,0,0|1,0,1]=4 3425 B12R1.278 CCSc1cccc(c1)COC 62a_100011493687_100000210202 [1,1,0,0,0,0|1,0,1]=4 3426 B12R1.278 CNCc1cccc(c1)OCF 34a_100000207540_100015361967 [1,1,0,0,0,0|1,0,1]=4 3427 B12R1.279 C=C(C)c1cccc(c1)C=CC 271570a_100016259895_100012123953 [1,1,0,0,0,0|1,0,0]=3 3428 B12R1.279 C=C(C)c1cncc(c1)C=CC 271570a_100016259895_200009889500 [1,1,0,0,0,0|2,0,0]=4 3429 B12R1.279 CC=Cc1cc(ccn1)C(=O)C 271570a_100016259895_100000685609 [1,1,0,0,0,0|2,0,0]=4 3430 B12R1.279 CC=Cc1cc(ccn1)C(C)C 271570a_100016259895_100010237925 [1,1,0,0,0,0|2,0,0]=4 3431 B12R1.279 CC=Cc1cc(ccn1)N(C)C 271570a_100016259895_100000766659 [1,1,0,0,0,0|2,0,0]=4 3432 B12R1.279 CC=Cc1cccc(c1)B(O)O 271570a_100016259895_100000687717 [1,1,0,0,0,0|2,0,0]=4 3433 B12R1.279 CC=Cc1cccc(c1)C(=O)C 271570a_100016259895_100000210093 [1,1,0,0,0,0|1,0,0]=3 3434 B12R1.279 CC=Cc1cccc(c1)C(=O)N 271570a_100016259895_100000162208 [1,1,0,0,0,0|2,0,0]=4 3435 B12R1.279 CC=Cc1cccc(c1)C(C)C 271570a_100016259895_100011214899 [1,1,0,0,0,0|1,0,0]=3 3436 B12R1.279 CC=Cc1cccc(c1)C(C)N 271570a_100016259895_100020642005 [1,1,0,0,0,0|1,0,0]=3 3437 B12R1.279 CC=Cc1cccc(c1)C(C)O 271570a_100016259895_100000246457 [1,1,0,0,0,0|1,0,0]=3 3438 B12R1.279 CC=Cc1cccc(c1)C(F)F 271570a_100016259895_100009892619 [1,1,0,0,0,0|2,0,0]=4 3439 B12R1.279 CC=Cc1cccc(c1)N(C)C 271570a_100016259895_100011215952 [1,1,0,0,0,0|1,0,0]=3 3440 B12R1.279 CC=Cc1cccc(c1)S(=O)C 271570a_100016259895_100009816267 [1,1,0,0,0,0|0,1,0]=3 3441 B12R1.279 CC=Cc1cccc(n1)C(=O)C 271570a_100016259895_100009816502 [1,1,0,0,0,0|2,0,0]=4 3442 B12R1.279 CC=Cc1cccc(n1)C(C)C 271570a_100016259895_100012318657 [1,1,0,0,0,0|2,0,0]=4 3443 B12R1.279 CC=Cc1cccc(n1)C(C)N 271570a_100016259895_200010173468 [1,1,0,0,0,0|2,0,0]=4 3444 B12R1.279 CC=Cc1cccc(n1)C(C)O 271570a_100016259895_100009820884 [1,1,0,0,0,0|2,0,0]=4 3445 B12R1.279 CC=Cc1cccc(n1)N(C)C 271570a_100016259895_100011960435 [1,1,0,0,0,0|2,0,0]=4 3446 B12R1.279 CC=Cc1ccnc(c1)C(=O)C 271570a_100016259895_100000709912 [1,1,0,0,0,0|2,0,0]=4 3447 B12R1.279 CC=Cc1ccnc(c1)C(C)C 271570a_100016259895_100010237922 [1,1,0,0,0,0|2,0,0]=4 3448 B12R1.279 CC=Cc1ccnc(c1)C(C)O 271570a_100016259895_100000144657 [1,1,0,0,0,0|2,0,0]=4 3449 B12R1.279 CC=Cc1ccnc(c1)N(C)C 271570a_100016259895_100012361627 [1,1,0,0,0,0|2,0,0]=4 3450 B12R1.279 CC=Cc1cncc(c1)C(=O)C 271570a_100016259895_100011216243 [1,1,0,0,0,0|2,0,0]=4 3451 B12R1.279 CC=Cc1cncc(c1)C(C)C 271570a_100016259895_200010191214 [1,1,0,0,0,0|2,0,0]=4 3452 B12R1.279 CC=Cc1cncc(c1)C(C)O 271570a_100016259895_100012351597 [1,1,0,0,0,0|2,0,0]=4 3453 B12R1.279 CC=Cc1cncc(c1)N(C)C 271570a_100016259895_100012350714 [1,1,0,0,0,0|2,0,0]=4 3454 B12R1.279 CC=Cc1cncc(c1)[C@@H](C)N 271570a_100016259895_100012350620 [1,1,0,0,0,0|2,0,0]=4 3455 B12R1.280 C=C=Cc1cccc(c1C)OC 271570a_100015277604_100010002647 [1,1,0,0,0,0|0,0,2]=4 3456 B12R1.280 C=C=Cc1cccc(c1Cl)OC 271570a_100015277604_100010147677 [1,1,0,0,0,0|0,0,2]=4 3457 B12R1.280 C=C=Cc1cccc(c1F)OC 271570a_100015277604_100010185846 [1,1,0,0,0,0|0,0,2]=4 3458 B12R1.280 C=C=Cc1cccc(c1N)OC 271570a_100015277604_100000708083 [1,1,0,0,0,0|0,0,2]=4 3459 B12R1.280 C=C=Cc1cccc(c1O)OC 271570a_100015277604_100000686866 [1,1,0,0,0,0|0,0,2]=4 3460 B12R1.280 CC=Cc1cccc(c1Br)CO 271570a_100016259895_100010240205 [1,1,0,0,0,0|2,0,0]=4 3461 B12R1.280 CC=Cc1cccc(c1C)C#N 271570a_100016259895_100000721996 [1,1,0,0,0,0|2,0,0]=4 3462 B12R1.280 CC=Cc1cccc(c1C)C=O 271570a_100016259895_100012179384 [1,1,0,0,0,0|2,0,0]=4 3463 B12R1.280 CC=Cc1cccc(c1C)CN 271570a_100016259895_100000724210 [1,1,0,0,0,0|2,0,0]=4 3464 B12R1.280 CC=Cc1cccc(c1C)CO 271570a_100016259895_100000694458 [1,1,0,0,0,0|2,0,0]=4 3465 B12R1.280 CC=Cc1cccc(c1C)OC 271570a_100016259895_100010002647 [1,1,0,0,0,0|0,0,0]=2 3466 B12R1.280 CC=Cc1cccc(c1Cl)OC 271570a_100016259895_100010147677 [1,1,0,0,0,0|0,0,0]=2 3467 B12R1.280 CC=Cc1cccc(c1F)C#N 271570a_100016259895_100011934600 [1,1,0,0,0,0|2,0,0]=4 3468 B12R1.280 CC=Cc1cccc(c1F)C=O 271570a_100016259895_100000766533 [1,1,0,0,0,0|2,0,0]=4 3469 B12R1.280 CC=Cc1cccc(c1F)CN 271570a_100016259895_100015189953 [1,1,0,0,0,0|2,0,0]=4 3470 B12R1.280 CC=Cc1cccc(c1F)CO 271570a_100016259895_100011935076 [1,1,0,0,0,0|2,0,0]=4 3471 B12R1.280 CC=Cc1cccc(c1F)OC 271570a_100016259895_100010185846 [1,1,0,0,0,0|0,0,0]=2 3472 B12R1.280 CC=Cc1cccc(c1N)C#N 271570a_100016259895_100000690598 [1,1,0,0,0,0|2,0,0]=4 3473 B12R1.280 CC=Cc1cccc(c1N)C=O 271570a_100016259895_100010144990 [1,1,0,0,0,0|2,0,0]=4 3474 B12R1.280 CC=Cc1cccc(c1N)CO 271570a_100016259895_100012349457 [1,1,0,0,0,0|2,0,0]=4 3475 B12R1.280 CC=Cc1cccc(c1N)NC 271570a_100016259895_100000695761 [1,1,0,0,0,0|1,0,0]=3 3476 B12R1.280 CC=Cc1cccc(c1N)OC 271570a_100016259895_100000708083 [1,1,0,0,0,0|0,0,0]=2 3477 B12R1.280 CC=Cc1cccc(c1O)C#N 271570a_100016259895_100009817103 [1,1,0,0,0,0|2,0,0]=4 3478 B12R1.280 CC=Cc1cccc(c1O)C=O 271570a_100016259895_100000737635 [1,1,0,0,0,0|2,0,0]=4 3479 B12R1.280 CC=Cc1cccc(c1O)CC 271570a_100016259895_200010001580 [1,1,0,0,0,0|1,0,0]=3 3480 B12R1.280 CC=Cc1cccc(c1O)OC 271570a_100016259895_100000686866 [1,1,0,0,0,0|0,0,0]=2 3481 B12R1.280 CC=Cc1ccnc(c1C)OC 271570a_100016259895_100010068544 [1,1,0,0,0,0|1,0,0]=3 3482 B12R1.280 CC=Cc1ccnc(c1F)OC 271570a_100016259895_100009885657 [1,1,0,0,0,0|1,0,0]=3 3483 B12R1.280 CC=Cc1cncc(c1C)OC 271570a_100016259895_100010136163 [1,1,0,0,0,0|1,0,0]=3 3484 B12R1.280 CC=Cc1nccc(c1C)OC 271570a_100016259895_100010067686 [1,1,0,0,0,0|1,0,0]=3 3485 B12R1.280 CC=Cc1nccc(c1F)OC 271570a_100016259895_200010136267 [1,1,0,0,0,0|1,0,0]=3 3486 B12R1.280 CC=Cc1nccc(c1F)SC 271570a_100016259895_200021123860 [1,1,0,0,0,0|1,1,0]=4 3487 B12R1.280 CC=Cc1nccc(c1N)NC 271570a_100016259895_200000076579 [1,1,0,0,0,0|2,0,0]=4 3488 B12R1.280 CC=Cc1nccc(c1N)OC 271570a_100016259895_100000100113 [1,1,0,0,0,0|1,0,0]=3 3489 B12R1.280 CC=Cc1ncnc(c1C)OC 271570a_100016259895_200011912725 [1,1,0,0,0,0|2,0,0]=4 3490 B12R1.280 CC=Cc1ncnc(c1N)OC 271570a_100016259895_100000686339 [1,1,0,0,0,0|2,0,0]=4 3491 B12R1.280 CCNc1cccc(c1Br)OC 34a_100000703447_100000210202 [1,1,0,0,0,0|1,0,1]=4 3492 B12R1.280 CCNc1cccc(c1C)OC 34a_100011244893_100000210202 [1,1,0,0,0,0|1,0,1]=4 3493 B12R1.280 CCNc1cccc(c1C)OC 7a_100011244893_100000210202 [1,1,0,0,0,0|1,0,1]=4 3494 B12R1.280 CCNc1cccc(c1Cl)OC 34a_100000089720_100000210202 [1,1,0,0,0,0|1,0,1]=4 3495 B12R1.280 CCNc1cccc(c1F)OC 34a_100000100910_100000210202 [1,1,0,0,0,0|1,0,1]=4 3496 B12R1.280 CCNc1cccc(c1I)OC 34a_100010245509_100000210202 [1,1,0,0,0,0|1,0,1]=4 3497 B12R1.280 CCNc1cccc(c1O)OC 34a_100000123586_100000210202 [1,1,0,0,0,0|1,0,1]=4 3498 B12R1.280 CCOc1cccc(c1Br)OC 34a_100010202623_100000210202 [1,1,0,0,0,0|1,0,1]=4 3499 B12R1.280 CCOc1cccc(c1Br)OC 7a_100010202623_100000210202 [1,1,0,0,0,0|1,0,1]=4 3500 B12R1.280 CCOc1cccc(c1Cl)OC 34a_100000087810_100000210202 [1,1,0,0,0,0|1,0,1]=4 3501 B12R1.280 CCOc1cccc(c1Cl)OC 7a_100000087810_100000210202 [1,1,0,0,0,0|1,0,1]=4 3502 B12R1.280 CCOc1cccc(c1F)OC 34a_100000102366_100000210202 [1,1,0,0,0,0|1,0,1]=4 3503 B12R1.280 CCOc1cccc(c1F)OC 7a_100000102366_100000210202 [1,1,0,0,0,0|1,0,1]=4 3504 B12R1.280 CCOc1cccc(c1I)OC 34a_200010201982_100000210202 [1,1,0,0,0,0|1,0,1]=4 3505 B12R1.280 CCOc1cccc(c1I)OC 7a_200010201982_100000210202 [1,1,0,0,0,0|1,0,1]=4 3506 B12R1.280 CCOc1cccc(c1N)OC 34a_100012022766_100000210202 [1,1,0,0,0,0|1,0,1]=4 3507 B12R1.280 CCOc1cccc(c1N)OC 7a_100012022766_100000210202 [1,1,0,0,0,0|1,0,1]=4 3508 B12R1.280 CCSc1cccc(c1Br)OC 62a_100000210202_100010146559 [1,1,0,0,0,0|1,0,1]=4 3509 B12R1.280 CCSc1cccc(c1Br)OC 62a_100010146559_100000210202 [1,1,0,0,0,0|1,0,1]=4 3510 B12R1.280 CCSc1cccc(c1C)OC 62a_100000210202_100010002647 [1,1,0,0,0,0|1,0,1]=4 3511 B12R1.280 CCSc1cccc(c1C)OC 62a_100010002647_100000210202 [1,1,0,0,0,0|1,0,1]=4 3512 B12R1.280 CCSc1cccc(c1Cl)OC 62a_100000210202_100010147677 [1,1,0,0,0,0|1,0,1]=4 3513 B12R1.280 CCSc1cccc(c1Cl)OC 62a_100010147677_100000210202 [1,1,0,0,0,0|1,0,1]=4 3514 B12R1.280 CCSc1cccc(c1F)OC 62a_100000210202_100010185846 [1,1,0,0,0,0|1,0,1]=4 3515 B12R1.280 CCSc1cccc(c1F)OC 62a_100010185846_100000210202 [1,1,0,0,0,0|1,0,1]=4 3516 B12R1.280 CCSc1cccc(c1N)OC 62a_100000708083_100000210202 [1,1,0,0,0,0|1,0,1]=4 3517 B12R1.280 CCSc1cccc(c1O)OC 62a_100000210202_100000686866 [1,1,0,0,0,0|1,0,1]=4 3518 B12R1.280 CNCc1cccc(c1Br)OC 207a_100102657272_100010209554 [1,1,0,0,0,0|1,0,1]=4 3519 B12R1.280 CNCc1cccc(c1Br)OC 26a_100102657272_100010202623 [1,1,0,0,0,0|1,0,1]=4 3520 B12R1.280 CNCc1cccc(c1Br)OC 270004a_106832991635_100010209554 [1,1,0,0,0,0|1,0,1]=4 3521 B12R1.280 CNCc1cccc(c1C)OC 207a_100102657272_100000101217 [1,1,0,0,0,0|1,0,1]=4 3522 B12R1.280 CNCc1cccc(c1C)OC 2230a_106832991635_100009876938 [1,1,0,0,0,0|1,0,1]=4 3523 B12R1.280 CNCc1cccc(c1C)OC 270004a_106832991635_100000101217 [1,1,0,0,0,0|1,0,1]=4 3524 B12R1.280 CNCc1cccc(c1C)OC 34a_100102657272_100009876938 [1,1,0,0,0,0|1,0,1]=4 3525 B12R1.280 CNCc1cccc(c1C)OC 7a_106832991635_100009876938 [1,1,0,0,0,0|1,0,1]=4 3526 B12R1.280 CNCc1cccc(c1Cl)OC 207a_100102657272_100000068750 [1,1,0,0,0,0|1,0,1]=4 3527 B12R1.280 CNCc1cccc(c1Cl)OC 2230a_106832991635_200010147866 [1,1,0,0,0,0|1,0,1]=4 3528 B12R1.280 CNCc1cccc(c1Cl)OC 26a_100102657272_100000087810 [1,1,0,0,0,0|1,0,1]=4 3529 B12R1.280 CNCc1cccc(c1Cl)OC 270004a_106832991635_100000068750 [1,1,0,0,0,0|1,0,1]=4 3530 B12R1.280 CNCc1cccc(c1Cl)OC 34a_100102657272_200010147866 [1,1,0,0,0,0|1,0,1]=4 3531 B12R1.280 CNCc1cccc(c1Cl)OC 7a_106832991635_200010147866 [1,1,0,0,0,0|1,0,1]=4 3532 B12R1.280 CNCc1cccc(c1F)OC 207a_100102657272_100000692048 [1,1,0,0,0,0|1,0,1]=4 3533 B12R1.280 CNCc1cccc(c1F)OC 2230a_106832991635_100011260763 [1,1,0,0,0,0|1,0,1]=4 3534 B12R1.280 CNCc1cccc(c1F)OC 270004a_106832991635_100000692048 [1,1,0,0,0,0|1,0,1]=4 3535 B12R1.280 CNCc1cccc(c1F)OC 34a_100102657272_100011260763 [1,1,0,0,0,0|1,0,1]=4 3536 B12R1.280 CNCc1cccc(c1F)OC 34a_100137345169_200000210301 [1,1,0,0,0,0|1,0,1]=4 3537 B12R1.280 CNCc1cccc(c1F)OC 7a_106832991635_100011260763 [1,1,0,0,0,0|1,0,1]=4 3538 B12R1.280 COCc1cccc(c1Br)OC 34a_100010146792_200000210301 [1,1,0,0,0,0|1,0,1]=4 3539 B12R1.280 COCc1cccc(c1Br)OC 7a_100010146792_200000210301 [1,1,0,0,0,0|1,0,1]=4 3540 B12R1.280 COCc1cccc(c1C)OC 34a_100009871736_200000210301 [1,1,0,0,0,0|1,0,1]=4 3541 B12R1.280 COCc1cccc(c1C)OC 34a_100138415774_100009876938 [1,1,0,0,0,0|1,0,1]=4 3542 B12R1.280 COCc1cccc(c1C)OC 7a_100009871736_200000210301 [1,1,0,0,0,0|1,0,1]=4 3543 B12R1.280 COCc1cccc(c1Cl)OC 34a_100138415774_200010147866 [1,1,0,0,0,0|1,0,1]=4 3544 B12R1.280 COCc1cccc(c1F)OC 34a_100011935170_200000210301 [1,1,0,0,0,0|1,0,1]=4 3545 B12R1.280 COCc1cccc(c1F)OC 34a_100138415774_100011260763 [1,1,0,0,0,0|1,0,1]=4 3546 B12R1.280 COCc1cccc(c1F)OC 7a_100011935170_200000210301 [1,1,0,0,0,0|1,0,1]=4 3547 B12R1.280 COCc1cccc(c1I)OC 34a_100010236476_200000210301 [1,1,0,0,0,0|1,0,1]=4 3548 B12R1.280 COCc1cccc(c1I)OC 7a_100010236476_200000210301 [1,1,0,0,0,0|1,0,1]=4 3549 B12R1.280 COCc1cccc(c1N)OC 34a_100011999522_200000210301 [1,1,0,0,0,0|1,0,1]=4 3550 B12R1.280 COc1cccc(c1Br)CO[13CH3] 34a_100010146792_200025704644 [1,1,0,0,0,0|1,0,1]=4 3551 B12R1.280 COc1cccc(c1Br)CO[13CH3] 7a_100010146792_200025704644 [1,1,0,0,0,0|1,0,1]=4 3552 B12R1.280 COc1cccc(c1C)CO[13CH3] 34a_100009871736_200025704644 [1,1,0,0,0,0|1,0,1]=4 3553 B12R1.280 COc1cccc(c1C)CO[13CH3] 7a_100009871736_200025704644 [1,1,0,0,0,0|1,0,1]=4 3554 B12R1.280 COc1cccc(c1C)CSC 62a_100009876938_200000210301 [1,1,0,0,0,0|1,0,1]=4 3555 B12R1.280 COc1cccc(c1C)CSC 62a_200000210301_100009876938 [1,1,0,0,0,0|1,0,1]=4 3556 B12R1.280 COc1cccc(c1C)CS[13CH3] 62a_100009876938_200025704644 [1,1,0,0,0,0|1,0,1]=4 3557 B12R1.280 COc1cccc(c1C)CS[13CH3] 62a_200025704644_100009876938 [1,1,0,0,0,0|1,0,1]=4 3558 B12R1.280 COc1cccc(c1Cl)CSC 62a_200000210301_200010147866 [1,1,0,0,0,0|1,0,1]=4 3559 B12R1.280 COc1cccc(c1Cl)CSC 62a_200010147866_200000210301 [1,1,0,0,0,0|1,0,1]=4 3560 B12R1.280 COc1cccc(c1Cl)CS[13CH3] 62a_200010147866_200025704644 [1,1,0,0,0,0|1,0,1]=4 3561 B12R1.280 COc1cccc(c1Cl)CS[13CH3] 62a_200025704644_200010147866 [1,1,0,0,0,0|1,0,1]=4 3562 B12R1.280 COc1cccc(c1F)CN[13CH3] 34a_100137345169_200025704644 [1,1,0,0,0,0|1,0,1]=4 3563 B12R1.280 COc1cccc(c1F)CO[13CH3] 34a_100011935170_200025704644 [1,1,0,0,0,0|1,0,1]=4 3564 B12R1.280 COc1cccc(c1F)CO[13CH3] 7a_100011935170_200025704644 [1,1,0,0,0,0|1,0,1]=4 3565 B12R1.280 COc1cccc(c1F)CSC 62a_100011260763_200000210301 [1,1,0,0,0,0|1,0,1]=4 3566 B12R1.280 COc1cccc(c1F)CSC 62a_200000210301_100011260763 [1,1,0,0,0,0|1,0,1]=4 3567 B12R1.280 COc1cccc(c1F)CS[13CH3] 62a_100011260763_200025704644 [1,1,0,0,0,0|1,0,1]=4 3568 B12R1.280 COc1cccc(c1F)CS[13CH3] 62a_200025704644_100011260763 [1,1,0,0,0,0|1,0,1]=4 3569 B12R1.280 COc1cccc(c1I)CO[13CH3] 34a_100010236476_200025704644 [1,1,0,0,0,0|1,0,1]=4 3570 B12R1.280 COc1cccc(c1I)CO[13CH3] 7a_100010236476_200025704644 [1,1,0,0,0,0|1,0,1]=4 3571 B12R1.280 COc1cccc(c1N)CO[13CH3] 34a_100011999522_200025704644 [1,1,0,0,0,0|1,0,1]=4 3572 B12R1.382 C=CCNc1cccc(c1)OC 34a_100000210024_100015514636 [1,1,0,0,0,0|0,0,2]=4 3573 B12R1.382 C=CCOc1cccc(c1)OC 34a_100000211255_100015514636 [1,1,0,0,0,0|0,0,2]=4 3574 B12R1.382 C=CCOc1cccc(c1)OC 7a_100000211255_100015514636 [1,1,0,0,0,0|0,0,2]=4 3575 B12R1.382 C=CCSc1cccc(c1)OC 62a_100000210623_100000170001 [1,1,0,0,0,0|0,0,2]=4 3576 B12R1.382 CC=NNc1cccc(c1)OC 4a_100000722927_200000210099 [1,1,0,0,0,0|1,0,0]=3 3577 B12R1.382 CC=NNc1cccc(n1)OC 4a_100000698482_200000210099 [1,1,0,0,0,0|2,0,0]=4 3578 B12R1.382 CCCCc1cccc(c1)OC 271570a_100020621405_100000170001 [1,1,0,0,0,0|0,0,2]=4 3579 B12R1.382 CCCNc1cccc(c1)OC 34a_100000210024_100000210303 [1,1,0,0,0,0|0,0,2]=4 3580 B12R1.382 CCCOc1cccc(c1)OC 34a_100000211255_100000210303 [1,1,0,0,0,0|0,0,2]=4 3581 B12R1.382 CCCOc1cccc(c1)OC 34a_100000748497_200000210301 [1,1,0,0,0,0|0,0,2]=4 3582 B12R1.382 CCCOc1cccc(c1)OC 7a_100000211255_100000210303 [1,1,0,0,0,0|0,0,2]=4 3583 B12R1.382 CCCOc1cccc(c1)OC 7a_100000748497_200000210301 [1,1,0,0,0,0|0,0,2]=4 3584 B12R1.382 CCCOc1cccc(c1)O[13CH3] 34a_100000748497_200025704644 [1,1,0,0,0,0|0,0,2]=4 3585 B12R1.382 CCCOc1cccc(c1)O[13CH3] 7a_100000748497_200025704644 [1,1,0,0,0,0|0,0,2]=4 3586 B12R1.382 CCCSc1cccc(c1)OC 62a_100000210303_100000170001 [1,1,0,0,0,0|0,0,2]=4 3587 B12R1.382 CCNCc1cccc(c1)OC 207a_100015525214_100000170238 [1,1,0,0,0,0|0,0,2]=4 3588 B12R1.382 CCNCc1cccc(c1)OC 2230a_100000174954_100000210202 [1,1,0,0,0,0|0,0,2]=4 3589 B12R1.382 CCNCc1cccc(c1)OC 2230a_100015525214_100000211672 [1,1,0,0,0,0|0,0,2]=4 3590 B12R1.382 CCNCc1cccc(c1)OC 270004a_100015525214_100000170238 [1,1,0,0,0,0|0,0,2]=4 3591 B12R1.382 CCNCc1cccc(c1)OC 34a_100000174954_100000210202 [1,1,0,0,0,0|0,0,2]=4 3592 B12R1.382 CCNCc1cccc(c1)OC 34a_100000201218_200000210301 [1,1,0,0,0,0|0,0,2]=4 3593 B12R1.382 CCNCc1cccc(c1)O[13CH3] 34a_100000201218_200025704644 [1,1,0,0,0,0|0,0,2]=4 3594 B12R1.382 CCOCc1cccc(c1)OC 34a_100000198976_100000210202 [1,1,0,0,0,0|0,0,2]=4 3595 B12R1.382 CCOCc1cccc(c1)OC 34a_100121572206_100000688526 [1,1,0,0,0,0|0,0,2]=4 3596 B12R1.382 CCSCc1cccc(c1)OC 62a_100000210202_100000211672 [1,1,0,0,0,0|0,0,2]=4 3597 B12R1.382 CCSCc1cccc(c1)OC 62a_100000688526_100000210202 [1,1,0,0,0,0|0,0,2]=4 3598 B12R1.382 CNCCc1cccc(c1)OC 2230a_100000740386_200000210301 [1,1,0,0,0,0|0,0,2]=4 3599 B12R1.382 CNCCc1cccc(c1)OC 2230a_106832991635_100011713679 [1,1,0,0,0,0|0,0,2]=4 3600 B12R1.382 CNCCc1cccc(c1)OC 34a_100000740386_200000210301 [1,1,0,0,0,0|0,0,2]=4 3601 B12R1.382 CNCCc1cccc(c1)OC 34a_100102657272_100011713679 [1,1,0,0,0,0|0,0,2]=4 3602 B12R1.382 CNCCc1cccc(c1)OC 7a_106832991635_100011713679 [1,1,0,0,0,0|0,0,2]=4 3603 B12R1.382 COCCc1cccc(c1)OC 34a_100011215300_200000210301 [1,1,0,0,0,0|0,0,2]=4 3604 B12R1.382 COCCc1cccc(c1)OC 34a_100138415774_100011713679 [1,1,0,0,0,0|0,0,2]=4 3605 B12R1.382 COCCc1cccc(c1)OC 7a_100011215300_200000210301 [1,1,0,0,0,0|0,0,2]=4 3606 B12R1.382 COCSc1cccc(c1)OC 62a_100000766300_100000170001 [1,1,0,0,0,0|1,0,1]=4 3607 B12R1.382 COc1cccc(c1)CCCO 34a_200011999501_200000210301 [1,1,0,0,0,0|0,0,2]=4 3608 B12R1.382 COc1cccc(c1)CCCO 7a_200011999501_200000210301 [1,1,0,0,0,0|0,0,2]=4 3609 B12R1.382 COc1cccc(c1)CCN[13CH3] 2230a_100000740386_200025704644 [1,1,0,0,0,0|0,0,2]=4 3610 B12R1.382 COc1cccc(c1)CCN[13CH3] 34a_100000740386_200025704644 [1,1,0,0,0,0|0,0,2]=4 3611 B12R1.382 COc1cccc(c1)CCO[13CH3] 34a_100011215300_200025704644 [1,1,0,0,0,0|0,0,2]=4 3612 B12R1.382 COc1cccc(c1)CCO[13CH3] 7a_100011215300_200025704644 [1,1,0,0,0,0|0,0,2]=4 3613 B12R1.382 COc1cccc(c1)CCSC 62a_100011713679_200000210301 [1,1,0,0,0,0|0,0,2]=4 3614 B12R1.382 COc1cccc(c1)CCSC 62a_200000210301_100011713679 [1,1,0,0,0,0|0,0,2]=4 3615 B12R1.382 COc1cccc(c1)CCS[13CH3] 62a_100011713679_200025704644 [1,1,0,0,0,0|0,0,2]=4 3616 B12R1.382 COc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713679 [1,1,0,0,0,0|0,0,2]=4 3617 B12R1.382 COc1cccc(c1)CNCF 34a_100000174954_100015361967 [1,1,0,0,0,0|1,0,1]=4 3618 B12R1.382 COc1cccc(c1)COCF 34a_100000198976_100015361967 [1,1,0,0,0,0|1,0,1]=4 3619 B12R1.382 COc1cccc(c1)CSCF 62a_100000688526_100015361967 [1,1,0,0,0,0|1,0,1]=4 3620 B12R1.382 COc1cccc(c1)CSCF 62a_100015361967_100000211672 [1,1,0,0,0,0|1,0,1]=4 3621 B12R1.382 COc1cccc(c1)NCC=O 34a_100000210024_200009817547 [1,1,0,0,0,0|1,0,1]=4 3622 B12R1.382 COc1cccc(c1)NCCF 34a_100000210024_100011217306 [1,1,0,0,0,0|1,0,1]=4 3623 B12R1.382 COc1cccc(c1)NCCO 34a_100000210024_100000211926 [1,1,0,0,0,0|1,0,1]=4 3624 B12R1.382 COc1cccc(c1)NCSC 34a_100000210024_100011218213 [1,1,0,0,0,0|1,0,1]=4 3625 B12R1.382 COc1cccc(c1)OCC=O 34a_100000211255_200009817547 [1,1,0,0,0,0|1,0,1]=4 3626 B12R1.382 COc1cccc(c1)OCC=O 7a_100000211255_200015260668 [1,1,0,0,0,0|1,0,1]=4 3627 B12R1.382 COc1cccc(c1)OCCF 34a_100000211255_100011217306 [1,1,0,0,0,0|1,0,1]=4 3628 B12R1.382 COc1cccc(c1)OCCF 7a_100000211255_100011217306 [1,1,0,0,0,0|1,0,1]=4 3629 B12R1.382 COc1cccc(c1)OCCO 34a_100000211255_100000211926 [1,1,0,0,0,0|1,0,1]=4 3630 B12R1.382 COc1cccc(c1)OCCO 7a_100000211255_100000211926 [1,1,0,0,0,0|1,0,1]=4 3631 B12R1.382 COc1cccc(c1)OCSC 34a_100000211255_100011218213 [1,1,0,0,0,0|1,0,1]=4 3632 B12R1.382 COc1cccc(c1)SCC=O 62a_200015260668_100000170001 [1,1,0,0,0,0|1,0,1]=4 3633 B12R1.382 COc1cccc(c1)SCCF 62a_100011217306_100000170001 [1,1,0,0,0,0|1,0,1]=4 3634 B12R1.382 COc1cccc(c1)SCCO 62a_100000211926_100000170001 [1,1,0,0,0,0|1,0,1]=4 3635 B12R1.382 COc1cccc(c1)SCSC 62a_100011218213_100000170001 [1,1,0,0,0,0|1,0,1]=4 3636 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 34a_200011999501_200025704644 [1,1,0,0,0,0|0,0,2]=4 3637 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 7a_200011999501_200025704644 [1,1,0,0,0,0|0,0,2]=4 3638 B12R1.435 CC(=NN)c1cccc(c1)O[13CH3] 34a_100000689795_200025704644 [1,1,0,0,0,0|2,0,0]=4 3639 B12R1.435 CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210202 [1,1,0,0,0,0|1,0,1]=4 3640 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [1,1,0,0,0,0|0,0,1]=3 3641 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [1,1,0,0,0,0|0,0,1]=3 3642 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [1,1,0,0,0,0|0,0,1]=3 3643 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [1,1,0,0,0,0|0,0,1]=3 3644 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [1,1,0,0,0,0|0,0,1]=3 3645 B12R1.435 CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210202 [1,1,0,0,0,0|0,1,1]=4 3646 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_100000211677_200000210301 [1,1,0,0,0,0|0,1,1]=4 3647 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_200000210301_100000211677 [1,1,0,0,0,0|0,1,1]=4 3648 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_100000211677_200025704644 [1,1,0,0,0,0|0,1,1]=4 3649 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000211677 [1,1,0,0,0,0|0,1,1]=4 3650 B12R1.435 CCC(N)c1cccc(c1)OC 34a_100159312145_200000210301 [1,1,0,0,0,0|0,0,2]=4 3651 B12R1.435 CCC(N)c1cccc(c1)O[13CH3] 34a_100159312145_200025704644 [1,1,0,0,0,0|0,0,2]=4 3652 B12R1.435 CCN(C)c1cccc(c1)OC 2230a_100000219725_100000210202 [1,1,0,0,0,0|1,0,1]=4 3653 B12R1.435 CCN(C)c1cccc(c1)OC 2230a_100000219733_200000210301 [1,1,0,0,0,0|1,0,1]=4 3654 B12R1.435 CCN(C)c1cccc(c1)OC 269982a_100000219725_100000204670 [1,1,0,0,0,0|1,0,1]=4 3655 B12R1.435 CCN(C)c1cccc(c1)OC 269982a_100000219733_200000210301 [1,1,0,0,0,0|1,0,1]=4 3656 B12R1.435 CCN(C)c1cccc(c1)OC 34a_100000219725_100000210202 [1,1,0,0,0,0|1,0,1]=4 3657 B12R1.435 CCN(C)c1cccc(c1)OC 34a_100000219733_200000210301 [1,1,0,0,0,0|1,0,1]=4 3658 B12R1.435 CCN([13CH3])c1cccc(c1)OC 2230a_100000219733_200025704644 [1,1,0,0,0,0|1,0,1]=4 3659 B12R1.435 CCN([13CH3])c1cccc(c1)OC 269982a_100000219733_200025704644 [1,1,0,0,0,0|1,0,1]=4 3660 B12R1.435 CCN([13CH3])c1cccc(c1)OC 34a_100000219733_200025704644 [1,1,0,0,0,0|1,0,1]=4 3661 B12R1.435 CCc1cccc(c1)C(=O)NC 11a_106832991635_100011933908 [1,1,0,0,0,0|2,0,0]=4 3662 B12R1.435 CCc1cccc(c1)C(=O)NC 1626a_100102657272_100011933908 [1,1,0,0,0,0|2,0,0]=4 3663 B12R1.435 CCc1cccc(c1)C(=O)NC 240690a_100102657272_100011933908 [1,1,0,0,0,0|2,0,0]=4 3664 B12R1.435 CCc1cccc(c1)C(=O)NC 527a_100102657272_100011933908 [1,1,0,0,0,0|2,0,0]=4 3665 B12R1.435 CNC(=O)c1cccc(c1)NC 34a_100000185133_200000210301 [1,1,0,0,0,0|2,0,0]=4 3666 B12R1.435 CNC(=O)c1cccc(c1)N[13CH3] 34a_100000185133_200025704644 [1,1,0,0,0,0|2,0,0]=4 3667 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [1,1,0,0,0,0|1,0,0]=3 3668 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [1,1,0,0,0,0|1,0,0]=3 3669 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [1,1,0,0,0,0|1,0,0]=3 3670 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [1,1,0,0,0,0|1,0,0]=3 3671 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [1,1,0,0,0,0|1,0,0]=3 3672 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [1,1,0,0,0,0|1,0,0]=3 3673 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [1,1,0,0,0,0|1,0,0]=3 3674 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [1,1,0,0,0,0|1,0,0]=3 3675 B12R1.435 CNC(=O)c1cccc(c1)SC 11a_106832991635_100011217804 [1,1,0,0,0,0|1,1,0]=4 3676 B12R1.435 CNC(=O)c1cccc(c1)SC 1626a_100102657272_100011217804 [1,1,0,0,0,0|1,1,0]=4 3677 B12R1.435 CNC(=O)c1cccc(c1)SC 240690a_100102657272_100011217804 [1,1,0,0,0,0|1,1,0]=4 3678 B12R1.435 CNC(=O)c1cccc(c1)SC 527a_100102657272_100011217804 [1,1,0,0,0,0|1,1,0]=4 3679 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_100000155082_200000210301 [1,1,0,0,0,0|1,1,0]=4 3680 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_200000210301_100000155082 [1,1,0,0,0,0|1,1,0]=4 3681 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_100000155082_200025704644 [1,1,0,0,0,0|1,1,0]=4 3682 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155082 [1,1,0,0,0,0|1,1,0]=4 3683 B12R1.435 CNC(C)c1cccc(c1)OC 2230a_100000737859_200000210301 [1,1,0,0,0,0|1,0,1]=4 3684 B12R1.435 CNC(C)c1cccc(c1)OC 269862a_106832991636_100000171656 [1,1,0,0,0,0|1,0,1]=4 3685 B12R1.435 COC(=O)c1cc(ccn1)OC 34a_200020638413_200000210301 [1,1,0,0,0,0|2,0,0]=4 3686 B12R1.435 COC(=O)c1cc(ccn1)O[13CH3] 34a_200020638413_200025704644 [1,1,0,0,0,0|2,0,0]=4 3687 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [1,1,0,0,0,0|1,0,0]=3 3688 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [1,1,0,0,0,0|1,0,0]=3 3689 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [1,1,0,0,0,0|1,0,0]=3 3690 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [1,1,0,0,0,0|1,0,0]=3 3691 B12R1.435 COC(=O)c1cccc(c1)SC 62a_100000148848_200000210301 [1,1,0,0,0,0|1,1,0]=4 3692 B12R1.435 COC(=O)c1cccc(c1)SC 62a_200000210301_100000148848 [1,1,0,0,0,0|1,1,0]=4 3693 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_100000148848_200025704644 [1,1,0,0,0,0|1,1,0]=4 3694 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000148848 [1,1,0,0,0,0|1,1,0]=4 3695 B12R1.435 COC(=O)c1ccnc(c1)OC 34a_100138552365_200000210301 [1,1,0,0,0,0|2,0,0]=4 3696 B12R1.435 COC(=O)c1ccnc(c1)O[13CH3] 34a_100138552365_200025704644 [1,1,0,0,0,0|2,0,0]=4 3697 B12R1.435 COC(=O)c1cncc(c1)OC 34a_100000687108_200000210301 [1,1,0,0,0,0|2,0,0]=4 3698 B12R1.435 COC(=O)c1cncc(c1)OC 7a_100000687108_200000210301 [1,1,0,0,0,0|2,0,0]=4 3699 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 34a_100000687108_200025704644 [1,1,0,0,0,0|2,0,0]=4 3700 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 7a_100000687108_200025704644 [1,1,0,0,0,0|2,0,0]=4 3701 B12R1.435 COc1cccc(c1)C(=NN)C 34a_100000689795_200000210301 [1,1,0,0,0,0|2,0,0]=4 3702 B12R1.435 COc1cccc(c1)C(=NO)N 34a_100000738085_200000210301 [1,1,0,0,0,0|2,0,0]=4 3703 B12R1.435 COc1cccc(c1)C(=O)CBr 7a_100009813753_200000210301 [1,1,0,0,0,0|1,0,1]=4 3704 B12R1.435 COc1cccc(c1)C(=O)CF 1458a_100000188888_100015361967 [1,1,0,0,0,0|1,0,1]=4 3705 B12R1.435 COc1cccc(c1)C(=O)NN 34a_100000184184_200000210301 [1,1,0,0,0,0|2,0,0]=4 3706 B12R1.435 COc1cccc(c1)C(C)N[13CH3] 2230a_100000737859_200025704644 [1,1,0,0,0,0|1,0,1]=4 3707 B12R1.435 COc1cccc(c1)C(C)OC 34a_100000246466_200000210301 [1,1,0,0,0,0|1,0,1]=4 3708 B12R1.435 COc1cccc(c1)C(C)OC 7a_100000246466_200000210301 [1,1,0,0,0,0|1,0,1]=4 3709 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 34a_100000246466_200025704644 [1,1,0,0,0,0|1,0,1]=4 3710 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 7a_100000246466_200025704644 [1,1,0,0,0,0|1,0,1]=4 3711 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_100000726164_200000210301 [1,1,0,0,0,0|1,1,0]=4 3712 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_200000210301_100000726164 [1,1,0,0,0,0|1,1,0]=4 3713 B12R1.435 [13CH3]Oc1cccc(c1)C(=NO)N 34a_100000738085_200025704644 [1,1,0,0,0,0|2,0,0]=4 3714 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)CBr 7a_100009813753_200025704644 [1,1,0,0,0,0|1,0,1]=4 3715 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)NN 34a_100000184184_200025704644 [1,1,0,0,0,0|2,0,0]=4 3716 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_100000726164_200025704644 [1,1,0,0,0,0|1,1,0]=4 3717 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_200025704644_100000726164 [1,1,0,0,0,0|1,1,0]=4 3718 B12R1.438 CC(=Cc1cccc(c1)C#N)C 271570a_100102525489_100000189340 [1,1,0,0,0,0|2,0,0]=4 3719 B12R1.438 CC(=Cc1cccc(c1)C=O)C 271570a_100102525489_100000014684 [1,1,0,0,0,0|2,0,0]=4 3720 B12R1.438 CC(=Cc1cccc(c1)CF)C 271570a_100102525489_100010878472 [1,1,0,0,0,0|2,0,0]=4 3721 B12R1.438 CC(=Cc1cccc(c1)CN)C 271570a_100102525489_100000106179 [1,1,0,0,0,0|2,0,0]=4 3722 B12R1.438 CC(=Cc1cccc(c1)CO)C 271570a_100102525489_100000687537 [1,1,0,0,0,0|2,0,0]=4 3723 B12R1.438 CC(=Cc1cccc(c1)NN)C 271570a_100102525489_100000217339 [1,1,0,0,0,0|2,0,0]=4 3724 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [1,1,0,0,0,0|0,1,1]=4 3725 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [1,1,0,0,0,0|0,1,1]=4 3726 B12R1.438 CC(=O)Nc1cccc(c1)N[13CH3] 34a_100000749408_200025704644 [1,1,0,0,0,0|2,0,0]=4 3727 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [1,1,0,0,0,0|1,0,0]=3 3728 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [1,1,0,0,0,0|1,0,0]=3 3729 B12R1.438 CC(=O)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000153616 [1,1,0,0,0,0|1,1,0]=4 3730 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [1,1,0,0,0,0|1,0,0]=3 3731 B12R1.438 CC(=O)Oc1cccc(c1)S[13CH3] 62a_200025704644_100009811612 [1,1,0,0,0,0|1,1,0]=4 3732 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 34a_100000753242_200025704644 [1,1,0,0,0,0|1,0,1]=4 3733 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 7a_100000753242_200025704644 [1,1,0,0,0,0|1,0,1]=4 3734 B12R1.438 CCc1cc(ccn1)C=C(C)C 271570a_100102525489_100009820011 [1,1,0,0,0,0|2,0,0]=4 3735 B12R1.438 CCc1cccc(c1)C=C(C)C 271570a_100102525489_100000684523 [1,1,0,0,0,0|1,0,0]=3 3736 B12R1.438 CCc1cccc(c1)NC(=O)C 11a_100000211250_100015343762 [1,1,0,0,0,0|2,0,0]=4 3737 B12R1.438 CCc1cccc(c1)NC(=O)C 1626a_100000211250_100015343762 [1,1,0,0,0,0|2,0,0]=4 3738 B12R1.438 CCc1cccc(c1)NC(=O)C 22a_100000211250_100000070787 [1,1,0,0,0,0|2,0,0]=4 3739 B12R1.438 CCc1cccc(c1)NC(=O)C 527a_100000211250_100103153847 [1,1,0,0,0,0|2,0,0]=4 3740 B12R1.438 CCc1cccc(n1)C=C(C)C 271570a_100102525489_100009856026 [1,1,0,0,0,0|2,0,0]=4 3741 B12R1.438 CCc1ccnc(c1)C=C(C)C 271570a_100102525489_100009817561 [1,1,0,0,0,0|2,0,0]=4 3742 B12R1.438 CCc1cncc(c1)C=C(C)C 271570a_100102525489_200009819073 [1,1,0,0,0,0|2,0,0]=4 3743 B12R1.438 CNc1cc(ccn1)C=C(C)C 271570a_100102525489_100009819592 [1,1,0,0,0,0|2,0,0]=4 3744 B12R1.438 CNc1cccc(c1)C=C(C)C 271570a_100102525489_100000219648 [1,1,0,0,0,0|1,0,0]=3 3745 B12R1.438 CNc1cccc(c1)NC(=O)C 34a_100000749408_200000210301 [1,1,0,0,0,0|2,0,0]=4 3746 B12R1.438 CNc1cccc(n1)C=C(C)C 271570a_100102525489_100000703281 [1,1,0,0,0,0|2,0,0]=4 3747 B12R1.438 CNc1ccnc(c1)C=C(C)C 271570a_100102525489_100009869472 [1,1,0,0,0,0|2,0,0]=4 3748 B12R1.438 CNc1cncc(c1)C=C(C)C 271570a_100102525489_100012184536 [1,1,0,0,0,0|2,0,0]=4 3749 B12R1.438 COc1cc(ccn1)C=C(C)C 271570a_100102525489_100000117307 [1,1,0,0,0,0|1,0,0]=3 3750 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000070787_100103152439 [1,1,0,0,0,0|1,0,1]=4 3751 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000718155_200000210301 [1,1,0,0,0,0|1,0,1]=4 3752 B12R1.438 COc1cc(ccn1)CC(=O)[13CH3] 1458a_100000718155_200025704644 [1,1,0,0,0,0|1,0,1]=4 3753 B12R1.438 COc1cc(ncn1)C=C(C)C 271570a_100102525489_100012187182 [1,1,0,0,0,0|2,0,0]=4 3754 B12R1.438 COc1cccc(c1)C=C(C)C 271570a_100102525489_100000170001 [1,1,0,0,0,0|0,0,0]=2 3755 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [1,1,0,0,0,0|0,0,1]=3 3756 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [1,1,0,0,0,0|0,0,1]=3 3757 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [1,1,0,0,0,0|1,0,1]=4 3758 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [1,1,0,0,0,0|1,0,1]=4 3759 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [1,1,0,0,0,0|0,0,1]=3 3760 B12R1.438 COc1cccc(c1)CN(C)C 2230a_100000184262_200000210301 [1,1,0,0,0,0|1,0,1]=4 3761 B12R1.438 COc1cccc(c1)CN(C)C 2230a_100102631434_100000211672 [1,1,0,0,0,0|1,0,1]=4 3762 B12R1.438 COc1cccc(c1)CN(C)C 269982a_100000184262_200000210301 [1,1,0,0,0,0|1,0,1]=4 3763 B12R1.438 COc1cccc(c1)CN(C)C 269982a_100102631434_100000688526 [1,1,0,0,0,0|1,0,1]=4 3764 B12R1.438 COc1cccc(c1)CN(C)C 270004a_100102631434_100000170238 [1,1,0,0,0,0|1,0,1]=4 3765 B12R1.438 COc1cccc(c1)CN(C)[13CH3] 2230a_100000184262_200025704644 [1,1,0,0,0,0|1,0,1]=4 3766 B12R1.438 COc1cccc(c1)CN(C)[13CH3] 269982a_100000184262_200025704644 [1,1,0,0,0,0|1,0,1]=4 3767 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [1,1,0,0,0,0|1,0,0]=3 3768 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [1,1,0,0,0,0|1,0,0]=3 3769 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [1,1,0,0,0,0|1,0,0]=3 3770 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [1,1,0,0,0,0|1,0,0]=3 3771 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [1,1,0,0,0,0|1,0,0]=3 3772 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [1,1,0,0,0,0|1,0,0]=3 3773 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [1,1,0,0,0,0|2,0,0]=4 3774 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [1,1,0,0,0,0|2,0,0]=4 3775 B12R1.438 COc1cccc(c1)NC(=S)N 7a_100000023991_200000210301 [1,1,0,0,0,0|2,0,0]=4 3776 B12R1.438 COc1cccc(c1)NC(C)C 34a_100000210024_100000210206 [1,1,0,0,0,0|1,0,1]=4 3777 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [1,1,0,0,0,0|1,0,0]=3 3778 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000211255_100000210206 [1,1,0,0,0,0|1,0,1]=4 3779 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000753242_200000210301 [1,1,0,0,0,0|1,0,1]=4 3780 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000211255_100000210206 [1,1,0,0,0,0|1,0,1]=4 3781 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000753242_200000210301 [1,1,0,0,0,0|1,0,1]=4 3782 B12R1.438 COc1cccc(c1)SC(C)C 62a_100000210206_100000170001 [1,1,0,0,0,0|1,0,1]=4 3783 B12R1.438 COc1cccc(n1)C=C(C)C 271570a_100102525489_100000760917 [1,1,0,0,0,0|1,0,0]=3 3784 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [1,1,0,0,0,0|1,0,1]=4 3785 B12R1.438 COc1ccnc(c1)C=C(C)C 271570a_100102525489_100011216251 [1,1,0,0,0,0|1,0,0]=3 3786 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [1,1,0,0,0,0|1,0,1]=4 3787 B12R1.438 COc1ccnc(n1)C=C(C)C 271570a_100102525489_100000182009 [1,1,0,0,0,0|2,0,0]=4 3788 B12R1.438 COc1cncc(c1)C=C(C)C 271570a_100102525489_100000684773 [1,1,0,0,0,0|1,0,0]=3 3789 B12R1.438 COc1cncc(n1)C=C(C)C 271570a_100102525489_100000756030 [1,1,0,0,0,0|2,0,0]=4 3790 B12R1.438 COc1cnnc(c1)C=C(C)C 271570a_100102525489_100000087634 [1,1,0,0,0,0|2,0,0]=4 3791 B12R1.438 COc1nccc(n1)C=C(C)C 271570a_100102525489_100000069072 [1,1,0,0,0,0|2,0,0]=4 3792 B12R1.438 CSc1cccc(c1)C=C(C)C 271570a_100102525489_100011215954 [1,1,0,0,0,0|0,1,0]=3 3793 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [1,1,0,0,0,0|0,1,1]=4 3794 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [1,1,0,0,0,0|0,1,1]=4 3795 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [1,1,0,0,0,0|0,1,1]=4 3796 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [1,1,0,0,0,0|0,1,1]=4 3797 B12R1.438 CSc1cccc(c1)NC(=O)C 11a_100000210049_100015343762 [1,1,0,0,0,0|1,1,0]=4 3798 B12R1.438 CSc1cccc(c1)NC(=O)C 1626a_100000210049_100015343762 [1,1,0,0,0,0|1,1,0]=4 3799 B12R1.438 CSc1cccc(c1)NC(=O)C 22a_100000210049_100000070787 [1,1,0,0,0,0|1,1,0]=4 3800 B12R1.438 CSc1cccc(c1)NC(=O)C 527a_100000210049_100103153847 [1,1,0,0,0,0|1,1,0]=4 3801 B12R1.438 CSc1cccc(c1)NC(=O)C 62a_200000210301_100000153616 [1,1,0,0,0,0|1,1,0]=4 3802 B12R1.438 CSc1cccc(c1)OC(=O)C 62a_200000210301_100009811612 [1,1,0,0,0,0|1,1,0]=4 3803 B12R1.438 CSc1cccc(n1)C=C(C)C 271570a_100102525489_100011960944 [1,1,0,0,0,0|1,1,0]=4 3804 B12R1.438 CSc1ccnc(c1)C=C(C)C 271570a_100102525489_100010883326 [1,1,0,0,0,0|1,1,0]=4 3805 B12R1.438 CSc1cncc(c1)C=C(C)C 271570a_100102525489_100009816972 [1,1,0,0,0,0|1,1,0]=4 3806 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [1,1,0,0,0,0|1,0,1]=4 3807 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [1,1,0,0,0,0|1,0,1]=4 3808 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [1,1,0,0,0,0|2,0,0]=4 3809 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [1,1,0,0,0,0|2,0,0]=4 3810 B12R1.438 [13CH3]Oc1cccc(c1)NC(=S)N 7a_100000023991_200025704644 [1,1,0,0,0,0|2,0,0]=4 3811 B12R1.19 CC(=Cc1c[nH]c(=O)c(c1)O)C 271570a_100102525489_100009814561 [1,1,0,0,0,0|1,0,1]=4 3812 B12R1.19 CC(=Cc1cc(c(cn1)Br)C)C 271570a_100102525489_100012356354 [1,1,0,0,0,0|2,0,0]=4 3813 B12R1.19 CC(=Cc1cc(c(cn1)C)C)C 271570a_100102525489_100009850809 [1,1,0,0,0,0|2,0,0]=4 3814 B12R1.19 CC(=Cc1cc(c(cn1)C)O)C 271570a_100102525489_100000704368 [1,1,0,0,0,0|2,0,0]=4 3815 B12R1.19 CC(=Cc1cc(c(cn1)F)C)C 271570a_100102525489_100009818257 [1,1,0,0,0,0|2,0,0]=4 3816 B12R1.19 CC(=Cc1cc(c(cn1)F)O)C 271570a_100102525489_100009854642 [1,1,0,0,0,0|2,0,0]=4 3817 B12R1.19 CC(=Cc1cc(c(cn1)N)C)C 271570a_100102525489_100000765520 [1,1,0,0,0,0|2,0,0]=4 3818 B12R1.19 CC(=Cc1cc(c(cn1)O)C)C 271570a_100102525489_100000692680 [1,1,0,0,0,0|1,0,0]=3 3819 B12R1.19 CC(=Cc1cc(c(cn1)O)N)C 271570a_100102525489_100009819941 [1,1,0,0,0,0|2,0,0]=4 3820 B12R1.19 CC(=Cc1ccc(=O)n(c1)C)C 271570a_100102525489_100011245003 [1,1,0,0,0,0|1,0,1]=4 3821 B12R1.19 CC(=Cc1ccc(c(c1)Br)Br)C 271570a_100102525489_100012356285 [1,1,0,0,0,0|2,0,0]=4 3822 B12R1.19 CC(=Cc1ccc(c(c1)Br)C)C 271570a_100102525489_100011847877 [1,1,0,0,0,0|2,0,0]=4 3823 B12R1.19 CC(=Cc1ccc(c(c1)Br)Cl)C 271570a_100102525489_100012353702 [1,1,0,0,0,0|2,0,0]=4 3824 B12R1.19 CC(=Cc1ccc(c(c1)Br)F)C 271570a_100102525489_100012047266 [1,1,0,0,0,0|2,0,0]=4 3825 B12R1.19 CC(=Cc1ccc(c(c1)Br)N)C 271570a_100102525489_100000750455 [1,1,0,0,0,0|2,0,0]=4 3826 B12R1.19 CC(=Cc1ccc(c(c1)Br)O)C 271570a_100102525489_100012361655 [1,1,0,0,0,0|1,0,0]=3 3827 B12R1.19 CC(=Cc1ccc(c(c1)C)Br)C 271570a_100102525489_100009813585 [1,1,0,0,0,0|1,0,0]=3 3828 B12R1.19 CC(=Cc1ccc(c(c1)C)C)C 271570a_100102525489_100011215607 [1,1,0,0,0,0|1,0,0]=3 3829 B12R1.19 CC(=Cc1ccc(c(c1)C)Cl)C 271570a_100102525489_100000049509 [1,1,0,0,0,0|1,0,0]=3 3830 B12R1.19 CC(=Cc1ccc(c(c1)C)F)C 271570a_100102525489_100011218330 [1,1,0,0,0,0|1,0,0]=3 3831 B12R1.19 CC(=Cc1ccc(c(c1)C)N)C 271570a_100102525489_100000211769 [1,1,0,0,0,0|1,0,0]=3 3832 B12R1.19 CC(=Cc1ccc(c(c1)C)O)C 271570a_100102525489_100000186361 [1,1,0,0,0,0|0,0,0]=2 3833 B12R1.19 CC(=Cc1ccc(c(c1)Cl)Br)C 271570a_100102525489_100012047281 [1,1,0,0,0,0|2,0,0]=4 3834 B12R1.19 CC(=Cc1ccc(c(c1)Cl)C)C 271570a_100102525489_100011216363 [1,1,0,0,0,0|2,0,0]=4 3835 B12R1.19 CC(=Cc1ccc(c(c1)Cl)Cl)C 271570a_100102525489_100011214914 [1,1,0,0,0,0|2,0,0]=4 3836 B12R1.19 CC(=Cc1ccc(c(c1)Cl)F)C 271570a_100102525489_100011215976 [1,1,0,0,0,0|2,0,0]=4 3837 B12R1.19 CC(=Cc1ccc(c(c1)Cl)N)C 271570a_100102525489_100011218065 [1,1,0,0,0,0|2,0,0]=4 3838 B12R1.19 CC(=Cc1ccc(c(c1)Cl)O)C 271570a_100102525489_100012360047 [1,1,0,0,0,0|1,0,0]=3 3839 B12R1.19 CC(=Cc1ccc(c(c1)F)Br)C 271570a_100102525489_100000685389 [1,1,0,0,0,0|2,0,0]=4 3840 B12R1.19 CC(=Cc1ccc(c(c1)F)C)C 271570a_100102525489_100000720648 [1,1,0,0,0,0|2,0,0]=4 3841 B12R1.19 CC(=Cc1ccc(c(c1)F)Cl)C 271570a_100102525489_100011216805 [1,1,0,0,0,0|2,0,0]=4 3842 B12R1.19 CC(=Cc1ccc(c(c1)F)F)C 271570a_100102525489_100000750028 [1,1,0,0,0,0|2,0,0]=4 3843 B12R1.19 CC(=Cc1ccc(c(c1)F)N)C 271570a_100102525489_100011215594 [1,1,0,0,0,0|2,0,0]=4 3844 B12R1.19 CC(=Cc1ccc(c(c1)F)O)C 271570a_100102525489_100000185481 [1,1,0,0,0,0|1,0,0]=3 3845 B12R1.19 CC(=Cc1ccc(c(c1)N)Br)C 271570a_100102525489_100000750456 [1,1,0,0,0,0|2,0,0]=4 3846 B12R1.19 CC(=Cc1ccc(c(c1)N)C)C 271570a_100102525489_100000761890 [1,1,0,0,0,0|2,0,0]=4 3847 B12R1.19 CC(=Cc1ccc(c(c1)N)Cl)C 271570a_100102525489_200000761891 [1,1,0,0,0,0|2,0,0]=4 3848 B12R1.19 CC(=Cc1ccc(c(c1)N)F)C 271570a_100102525489_100000740924 [1,1,0,0,0,0|2,0,0]=4 3849 B12R1.19 CC(=Cc1ccc(c(c1)N)N)C 271570a_100102525489_100000741789 [1,1,0,0,0,0|2,0,0]=4 3850 B12R1.19 CC(=Cc1ccc(c(c1)N)O)C 271570a_100102525489_100000752626 [1,1,0,0,0,0|1,0,0]=3 3851 B12R1.19 CC(=Cc1ccc(c(c1)O)Br)C 271570a_100102525489_100012356990 [1,1,0,0,0,0|1,0,0]=3 3852 B12R1.19 CC(=Cc1ccc(c(c1)O)C)C 271570a_100102525489_100000766334 [1,1,0,0,0,0|1,0,0]=3 3853 B12R1.19 CC(=Cc1ccc(c(c1)O)Cl)C 271570a_100102525489_100011356854 [1,1,0,0,0,0|1,0,0]=3 3854 B12R1.19 CC(=Cc1ccc(c(c1)O)F)C 271570a_100102525489_100000686035 [1,1,0,0,0,0|1,0,0]=3 3855 B12R1.19 CC(=Cc1ccc(c(c1)O)N)C 271570a_100102525489_100000739049 [1,1,0,0,0,0|1,0,0]=3 3856 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [1,1,0,0,0,0|0,0,0]=2 3857 B12R1.19 CC(=Cc1ccc(c(n1)Br)O)C 271570a_100102525489_100000725334 [1,1,0,0,0,0|2,0,0]=4 3858 B12R1.19 CC(=Cc1ccc(c(n1)C)Br)C 271570a_100102525489_100012360386 [1,1,0,0,0,0|2,0,0]=4 3859 B12R1.19 CC(=Cc1ccc(c(n1)C)C)C 271570a_100102525489_100000103781 [1,1,0,0,0,0|2,0,0]=4 3860 B12R1.19 CC(=Cc1ccc(c(n1)C)F)C 271570a_100102525489_100009814307 [1,1,0,0,0,0|2,0,0]=4 3861 B12R1.19 CC(=Cc1ccc(c(n1)C)N)C 271570a_100102525489_100000760127 [1,1,0,0,0,0|2,0,0]=4 3862 B12R1.19 CC(=Cc1ccc(c(n1)C)O)C 271570a_100102525489_100010233687 [1,1,0,0,0,0|1,0,0]=3 3863 B12R1.19 CC(=Cc1ccc(c(n1)Cl)O)C 271570a_100102525489_100000721234 [1,1,0,0,0,0|2,0,0]=4 3864 B12R1.19 CC(=Cc1ccc(c(n1)F)O)C 271570a_100102525489_100009819667 [1,1,0,0,0,0|2,0,0]=4 3865 B12R1.19 CC(=Cc1ccc(c(n1)N)O)C 271570a_100102525489_100000685527 [1,1,0,0,0,0|2,0,0]=4 3866 B12R1.19 CC(=Cc1ccc(c(n1)O)F)C 271570a_100102525489_100010729010 [1,1,0,0,0,0|2,0,0]=4 3867 B12R1.19 CC(=Cc1ccc(c(n1)O)N)C 271570a_100102525489_100000718904 [1,1,0,0,0,0|2,0,0]=4 3868 B12R1.19 CC(=Cc1cnc(c(c1)C)Br)C 271570a_100102525489_100009816107 [1,1,0,0,0,0|2,0,0]=4 3869 B12R1.19 CC(=Cc1cnc(c(c1)C)C)C 271570a_100102525489_100000697892 [1,1,0,0,0,0|2,0,0]=4 3870 B12R1.19 CC(=Cc1cnc(c(c1)C)Cl)C 271570a_100102525489_100009922867 [1,1,0,0,0,0|2,0,0]=4 3871 B12R1.19 CC(=Cc1cnc(c(c1)C)F)C 271570a_100102525489_100000709442 [1,1,0,0,0,0|2,0,0]=4 3872 B12R1.19 CC(=Cc1cnc(c(c1)C)N)C 271570a_100102525489_100000186686 [1,1,0,0,0,0|2,0,0]=4 3873 B12R1.19 CC(=Cc1cnc(c(c1)C)O)C 271570a_100102525489_100000685391 [1,1,0,0,0,0|1,0,0]=3 3874 B12R1.19 CC(=Cc1cnc(c(c1)Cl)O)C 271570a_100102525489_100010238531 [1,1,0,0,0,0|2,0,0]=4 3875 B12R1.19 CC(=Cc1cnc(c(c1)N)O)C 271570a_100102525489_100000743729 [1,1,0,0,0,0|2,0,0]=4 3876 B12R1.19 CC(=Cc1cnc(c(c1)O)C)C 271570a_100102525489_100009864810 [1,1,0,0,0,0|2,0,0]=4 3877 B12R1.19 CC(=Cc1cnc(c(c1)O)F)C 271570a_100102525489_100009819871 [1,1,0,0,0,0|2,0,0]=4 3878 B12R1.19 CC(=Cc1cnc(c(c1)O)N)C 271570a_100102525489_100009819042 [1,1,0,0,0,0|2,0,0]=4 3879 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [1,1,0,0,0,0|1,0,1]=4 3880 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [1,1,0,0,0,0|1,0,1]=4 3881 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [1,1,0,0,0,0|1,0,1]=4 3882 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [1,1,0,0,0,0|1,0,1]=4 3883 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [1,1,0,0,0,0|1,0,1]=4 3884 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [1,1,0,0,0,0|1,0,1]=4 3885 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [1,1,0,0,0,0|1,0,1]=4 3886 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [1,1,0,0,0,0|1,0,1]=4 3887 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [1,1,0,0,0,0|0,0,1]=3 3888 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [1,1,0,0,0,0|1,0,1]=4 3889 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [1,1,0,0,0,0|1,0,1]=4 3890 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [1,1,0,0,0,0|1,0,1]=4 3891 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [1,1,0,0,0,0|0,0,1]=3 3892 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [1,1,0,0,0,0|0,0,1]=3 3893 B12R1.19 CC(=O)Nc1cc(c(cn1)O)C 271570a_203496583355_100011934553 [1,1,0,0,0,0|2,0,0]=4 3894 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [1,1,0,0,0,0|2,0,0]=4 3895 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [1,1,0,0,0,0|2,0,0]=4 3896 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 11a_100000210723_100015343762 [1,1,0,0,0,0|2,0,0]=4 3897 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100015343762 [1,1,0,0,0,0|2,0,0]=4 3898 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000070787 [1,1,0,0,0,0|2,0,0]=4 3899 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 527a_100000210723_100103153847 [1,1,0,0,0,0|2,0,0]=4 3900 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100015343762 [1,1,0,0,0,0|2,0,0]=4 3901 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100015343762 [1,1,0,0,0,0|2,0,0]=4 3902 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000070787 [1,1,0,0,0,0|2,0,0]=4 3903 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100103153847 [1,1,0,0,0,0|2,0,0]=4 3904 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 11a_100000187808_100015343762 [1,1,0,0,0,0|2,0,0]=4 3905 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100015343762 [1,1,0,0,0,0|2,0,0]=4 3906 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000070787 [1,1,0,0,0,0|2,0,0]=4 3907 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 527a_100000187808_100103153847 [1,1,0,0,0,0|2,0,0]=4 3908 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 11a_100000750164_100015343762 [1,1,0,0,0,0|2,0,0]=4 3909 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100015343762 [1,1,0,0,0,0|2,0,0]=4 3910 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000070787 [1,1,0,0,0,0|2,0,0]=4 3911 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 527a_100000750164_100103153847 [1,1,0,0,0,0|2,0,0]=4 3912 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 11a_100000198070_100015343762 [1,1,0,0,0,0|2,0,0]=4 3913 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100015343762 [1,1,0,0,0,0|2,0,0]=4 3914 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000070787 [1,1,0,0,0,0|2,0,0]=4 3915 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 527a_100000198070_100103153847 [1,1,0,0,0,0|2,0,0]=4 3916 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [1,1,0,0,0,0|1,0,0]=3 3917 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [1,1,0,0,0,0|1,0,0]=3 3918 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [1,1,0,0,0,0|1,0,0]=3 3919 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [1,1,0,0,0,0|1,0,0]=3 3920 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [1,1,0,0,0,0|2,0,0]=4 3921 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [1,1,0,0,0,0|2,0,0]=4 3922 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [1,1,0,0,0,0|2,0,0]=4 3923 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [1,1,0,0,0,0|2,0,0]=4 3924 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [1,1,0,0,0,0|2,0,0]=4 3925 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [1,1,0,0,0,0|2,0,0]=4 3926 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [1,1,0,0,0,0|2,0,0]=4 3927 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [1,1,0,0,0,0|2,0,0]=4 3928 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000070787 [1,1,0,0,0,0|2,0,0]=4 3929 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000070787 [1,1,0,0,0,0|2,0,0]=4 3930 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 271570a_203496583355_100012348134 [1,1,0,0,0,0|2,0,0]=4 3931 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100103153847 [1,1,0,0,0,0|2,0,0]=4 3932 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [1,1,0,0,0,0|1,0,0]=3 3933 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [1,1,0,0,0,0|1,0,0]=3 3934 B12R1.19 CC(=O)Nc1ccc(c(n1)C)O 271570a_203496583355_100000187074 [1,1,0,0,0,0|2,0,0]=4 3935 B12R1.19 CC(=O)Oc1ccc(c(c1)O)C 271570a_203496583355_200025702335 [1,1,0,0,0,0|2,0,0]=4 3936 B12R1.19 CC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000210206 [1,1,0,0,0,0|1,0,1]=4 3937 B12R1.19 CC(C)Sc1ccc(c(c1)O)O 62a_100000210206_100009813601 [1,1,0,0,0,0|1,0,1]=4 3938 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [1,1,0,0,0,0|1,0,1]=4 3939 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [1,1,0,0,0,0|1,0,1]=4 3940 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [1,1,0,0,0,0|0,0,1]=3 3941 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [1,1,0,0,0,0|2,0,0]=4 3942 B12R1.19 Cc1cc(ccc1O)NC(C)C 34a_100011218179_100000210206 [1,1,0,0,0,0|1,0,1]=4 3943 B12R1.19 Cc1cc(ccc1O)NC(C)C 7a_100011218179_100000210206 [1,1,0,0,0,0|1,0,1]=4 3944 B12R1.19 Cc1cc(ccc1O)SC(C)C 62a_100000210206_100000186361 [1,1,0,0,0,0|1,0,1]=4 3945 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [1,1,0,0,0,0|1,0,1]=4 3946 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [1,1,0,0,0,0|1,0,1]=4 3947 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [1,1,0,0,0,0|1,0,1]=4 3948 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [1,1,0,0,0,0|1,0,1]=4 3949 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [1,1,0,0,0,0|1,0,1]=4 3950 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [1,1,0,0,0,0|0,0,1]=3 3951 B12R1.44 C=C=Cc1cc(c(c(c1)Br)O)C 271570a_100015277604_100010982682 [1,1,0,0,0,0|0,0,2]=4 3952 B12R1.44 C=C=Cc1cc(c(c(c1)C)O)C 271570a_100015277604_100000187306 [1,1,0,0,0,0|0,0,2]=4 3953 B12R1.44 C=C=Cc1cc(c(c(c1)Cl)O)C 271570a_100015277604_200015900153 [1,1,0,0,0,0|0,0,2]=4 3954 B12R1.44 C=C=Cc1cc(c(c(c1)N)O)C 271570a_100015277604_100011825904 [1,1,0,0,0,0|0,0,2]=4 3955 B12R1.44 CC=Cc1cc(c(=O)n(c1)C)C 271570a_100016259895_100011830242 [1,1,0,0,0,0|1,0,1]=4 3956 B12R1.44 CC=Cc1cc(c(=O)n(c1)C)F 271570a_100016259895_100010749421 [1,1,0,0,0,0|1,0,1]=4 3957 B12R1.44 CC=Cc1cc(c(=O)n(c1)C)N 271570a_100016259895_106446545582 [1,1,0,0,0,0|1,0,1]=4 3958 B12R1.44 CC=Cc1cc(c(c(c1)Br)C)Br 271570a_100016259895_100011099977 [1,1,0,0,0,0|2,0,0]=4 3959 B12R1.44 CC=Cc1cc(c(c(c1)Br)O)C 271570a_100016259895_100010982682 [1,1,0,0,0,0|0,0,0]=2 3960 B12R1.44 CC=Cc1cc(c(c(c1)C)C)C 271570a_100016259895_200011015895 [1,1,0,0,0,0|1,0,0]=3 3961 B12R1.44 CC=Cc1cc(c(c(c1)C)F)C 271570a_100016259895_100009814169 [1,1,0,0,0,0|1,0,0]=3 3962 B12R1.44 CC=Cc1cc(c(c(c1)C)N)C 271570a_100016259895_100000737279 [1,1,0,0,0,0|1,0,0]=3 3963 B12R1.44 CC=Cc1cc(c(c(c1)C)O)C 271570a_100016259895_100000187306 [1,1,0,0,0,0|0,0,0]=2 3964 B12R1.44 CC=Cc1cc(c(c(c1)Cl)Br)Cl 271570a_100016259895_200010212260 [1,1,0,0,0,0|2,0,0]=4 3965 B12R1.44 CC=Cc1cc(c(c(c1)Cl)F)Cl 271570a_100016259895_100012357505 [1,1,0,0,0,0|2,0,0]=4 3966 B12R1.44 CC=Cc1cc(c(c(c1)Cl)O)C 271570a_100016259895_200015900153 [1,1,0,0,0,0|0,0,0]=2 3967 B12R1.44 CC=Cc1cc(c(c(c1)Cl)O)Cl 271570a_100016259895_100012339652 [1,1,0,0,0,0|1,0,0]=3 3968 B12R1.44 CC=Cc1cc(c(c(c1)F)C)F 271570a_100016259895_100009814309 [1,1,0,0,0,0|2,0,0]=4 3969 B12R1.44 CC=Cc1cc(c(c(c1)F)C)N 271570a_100016259895_100009813729 [1,1,0,0,0,0|2,0,0]=4 3970 B12R1.44 CC=Cc1cc(c(c(c1)F)Cl)F 271570a_100016259895_100010154629 [1,1,0,0,0,0|2,0,0]=4 3971 B12R1.44 CC=Cc1cc(c(c(c1)F)F)C 271570a_100016259895_200011068660 [1,1,0,0,0,0|1,0,0]=3 3972 B12R1.44 CC=Cc1cc(c(c(c1)F)F)F 271570a_100016259895_100011215606 [1,1,0,0,0,0|2,0,0]=4 3973 B12R1.44 CC=Cc1cc(c(c(c1)F)F)O 271570a_100016259895_100000709865 [1,1,0,0,0,0|1,0,0]=3 3974 B12R1.44 CC=Cc1cc(c(c(c1)F)N)C 271570a_100016259895_100000709789 [1,1,0,0,0,0|1,0,0]=3 3975 B12R1.44 CC=Cc1cc(c(c(c1)F)N)F 271570a_100016259895_100000758902 [1,1,0,0,0,0|2,0,0]=4 3976 B12R1.44 CC=Cc1cc(c(c(c1)F)N)N 271570a_100016259895_100011218333 [1,1,0,0,0,0|2,0,0]=4 3977 B12R1.44 CC=Cc1cc(c(c(c1)F)N)O 271570a_100016259895_100015475841 [1,1,0,0,0,0|1,0,0]=3 3978 B12R1.44 CC=Cc1cc(c(c(c1)F)O)F 271570a_100016259895_100011216917 [1,1,0,0,0,0|1,0,0]=3 3979 B12R1.44 CC=Cc1cc(c(c(c1)F)O)N 271570a_100016259895_100011217383 [1,1,0,0,0,0|1,0,0]=3 3980 B12R1.44 CC=Cc1cc(c(c(c1)N)F)C 271570a_100016259895_100010381932 [1,1,0,0,0,0|1,0,0]=3 3981 B12R1.44 CC=Cc1cc(c(c(c1)N)N)C 271570a_100016259895_100000688557 [1,1,0,0,0,0|1,0,0]=3 3982 B12R1.44 CC=Cc1cc(c(c(c1)N)O)C 271570a_100016259895_100011825904 [1,1,0,0,0,0|0,0,0]=2 3983 B12R1.44 CC=Cc1cc(c(c(c1)O)N)C 271570a_100016259895_100010371313 [1,1,0,0,0,0|1,0,0]=3 3984 B12R1.44 CC=Cc1cc(c(c(n1)C)N)C 271570a_100016259895_100009817025 [1,1,0,0,0,0|2,0,0]=4 3985 B12R1.44 CCNc1cc(c(c(c1)Br)O)C 34a_100010064301_100000210202 [1,1,0,0,0,0|1,0,1]=4 3986 B12R1.44 CCNc1cc(c(c(c1)Br)O)C 7a_100010064301_100000210202 [1,1,0,0,0,0|1,0,1]=4 3987 B12R1.44 CCNc1cc(c(c(c1)C)O)C 34a_100000703291_100000210202 [1,1,0,0,0,0|1,0,1]=4 3988 B12R1.44 CCNc1cc(c(c(c1)C)O)C 7a_100000703291_100000210202 [1,1,0,0,0,0|1,0,1]=4 3989 B12R1.44 CCSc1cc(c(c(c1)Br)O)C 62a_100000210202_100010982682 [1,1,0,0,0,0|1,0,1]=4 3990 B12R1.44 CCSc1cc(c(c(c1)Br)O)C 62a_100010982682_100000210202 [1,1,0,0,0,0|1,0,1]=4 3991 B12R1.44 CCSc1cc(c(c(c1)C)O)C 62a_100000210202_100011216129 [1,1,0,0,0,0|1,0,1]=4 3992 B12R1.44 CCSc1cc(c(c(c1)C)O)C 62a_100011216129_100000210202 [1,1,0,0,0,0|1,0,1]=4 3993 B12R1.44 CCSc1cc(c(c(c1)Cl)O)C 62a_100000210202_200015900153 [1,1,0,0,0,0|1,0,1]=4 3994 B12R1.44 CCSc1cc(c(c(c1)Cl)O)C 62a_200015900153_100000210202 [1,1,0,0,0,0|1,0,1]=4 3995 B12R1.44 CCSc1cc(c(c(c1)F)O)O 62a_100000210202_100010114375 [1,1,0,0,0,0|1,0,1]=4 3996 B12R1.44 CCSc1cc(c(c(c1)N)O)C 62a_100000210202_100011825904 [1,1,0,0,0,0|1,0,1]=4 3997 B12R1.44 CCSc1cc(c(c(c1)N)O)C 62a_100011825904_100000210202 [1,1,0,0,0,0|1,0,1]=4 3998 B12R1.44 CCSc1cc(c(c(c1)O)O)O 62a_100000210202_100010658518 [1,1,0,0,0,0|1,0,1]=4 3999 B12R1.288 C=C=Cc1ccc(c(c1)C)CO 271570a_100015277604_100000748258 [1,1,0,0,0,0|0,0,2]=4 4000 B12R1.288 C=C=Cc1ccc(c(c1)C)OC 271570a_100015277604_100011219705 [1,1,0,0,0,0|0,0,2]=4 4001 B12R1.288 C=C=Cc1ccc(c(c1)O)CO 271570a_100015277604_100000071718 [1,1,0,0,0,0|0,0,2]=4 4002 B12R1.288 C=C=Cc1ccc(c(c1)O)OC 271570a_100015277604_100009816560 [1,1,0,0,0,0|0,0,2]=4 4003 B12R1.288 CC=Cc1cc(c(cn1)C#N)C 271570a_100016259895_100012183107 [1,1,0,0,0,0|2,0,0]=4 4004 B12R1.288 CC=Cc1cc(c(cn1)C=O)C 271570a_100016259895_100000085382 [1,1,0,0,0,0|1,0,1]=4 4005 B12R1.288 CC=Cc1cc(c(cn1)CO)C 271570a_100016259895_100010277336 [1,1,0,0,0,0|1,0,0]=3 4006 B12R1.288 CC=Cc1cc(c(cn1)CO)N 271570a_100016259895_100009830438 [1,1,0,0,0,0|2,0,0]=4 4007 B12R1.288 CC=Cc1cc(c(cn1)OC)N 271570a_100016259895_100010896307 [1,1,0,0,0,0|2,0,0]=4 4008 B12R1.288 CC=Cc1cc(c(cn1)OC)O 271570a_100016259895_100010264082 [1,1,0,0,0,0|1,0,0]=3 4009 B12R1.288 CC=Cc1cc(c(nn1)OC)C 271570a_100016259895_100010272851 [1,1,0,0,0,0|2,0,0]=4 4010 B12R1.288 CC=Cc1ccc(c(c1)Br)C#N 271570a_100016259895_100012349582 [1,1,0,0,0,0|2,0,0]=4 4011 B12R1.288 CC=Cc1ccc(c(c1)Br)C=O 271570a_100016259895_100010185650 [1,1,0,0,0,0|1,0,1]=4 4012 B12R1.288 CC=Cc1ccc(c(c1)Br)CO 271570a_100016259895_100010240206 [1,1,0,0,0,0|1,0,0]=3 4013 B12R1.288 CC=Cc1ccc(c(c1)Br)OC 271570a_100016259895_100011249507 [1,1,0,0,0,0|1,0,0]=3 4014 B12R1.288 CC=Cc1ccc(c(c1)C)C#N 271570a_100016259895_100000687762 [1,1,0,0,0,0|1,0,0]=3 4015 B12R1.288 CC=Cc1ccc(c(c1)C)C=O 271570a_100016259895_100000687586 [1,1,0,0,0,0|0,0,1]=3 4016 B12R1.288 CC=Cc1ccc(c(c1)C)CF 271570a_100016259895_200010711859 [1,1,0,0,0,0|1,0,0]=3 4017 B12R1.288 CC=Cc1ccc(c(c1)C)CN 271570a_100016259895_100000753881 [1,1,0,0,0,0|1,0,0]=3 4018 B12R1.288 CC=Cc1ccc(c(c1)C)CO 271570a_100016259895_100000748258 [1,1,0,0,0,0|0,0,0]=2 4019 B12R1.288 CC=Cc1ccc(c(c1)C)NC 271570a_100016259895_100000221803 [1,1,0,0,0,0|1,0,0]=3 4020 B12R1.288 CC=Cc1ccc(c(c1)C)NN 271570a_100016259895_100000751375 [1,1,0,0,0,0|1,0,0]=3 4021 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [1,1,0,0,0,0|0,0,0]=2 4022 B12R1.288 CC=Cc1ccc(c(c1)Cl)C#N 271570a_100016259895_100012349662 [1,1,0,0,0,0|2,0,0]=4 4023 B12R1.288 CC=Cc1ccc(c(c1)Cl)C=O 271570a_100016259895_100000727542 [1,1,0,0,0,0|1,0,1]=4 4024 B12R1.288 CC=Cc1ccc(c(c1)Cl)OC 271570a_100016259895_100012355395 [1,1,0,0,0,0|1,0,0]=3 4025 B12R1.288 CC=Cc1ccc(c(c1)Cl)SC 271570a_100016259895_206447510565 [1,1,0,0,0,0|1,1,0]=4 4026 B12R1.288 CC=Cc1ccc(c(c1)F)C#N 271570a_100016259895_100000037869 [1,1,0,0,0,0|2,0,0]=4 4027 B12R1.288 CC=Cc1ccc(c(c1)F)C=O 271570a_100016259895_100000211676 [1,1,0,0,0,0|1,0,1]=4 4028 B12R1.288 CC=Cc1ccc(c(c1)F)CC 271570a_100016259895_200010071577 [1,1,0,0,0,0|2,0,0]=4 4029 B12R1.288 CC=Cc1ccc(c(c1)F)CN 271570a_100016259895_100000754580 [1,1,0,0,0,0|2,0,0]=4 4030 B12R1.288 CC=Cc1ccc(c(c1)F)CO 271570a_100016259895_100011191541 [1,1,0,0,0,0|1,0,0]=3 4031 B12R1.288 CC=Cc1ccc(c(c1)F)NC 271570a_100016259895_100000743884 [1,1,0,0,0,0|2,0,0]=4 4032 B12R1.288 CC=Cc1ccc(c(c1)F)NN 271570a_100016259895_100000751572 [1,1,0,0,0,0|2,0,0]=4 4033 B12R1.288 CC=Cc1ccc(c(c1)F)OC 271570a_100016259895_100000185480 [1,1,0,0,0,0|1,0,0]=3 4034 B12R1.288 CC=Cc1ccc(c(c1)F)SC 271570a_100016259895_100010161220 [1,1,0,0,0,0|1,1,0]=4 4035 B12R1.288 CC=Cc1ccc(c(c1)N)C#N 271570a_100016259895_100000699244 [1,1,0,0,0,0|2,0,0]=4 4036 B12R1.288 CC=Cc1ccc(c(c1)N)C=O 271570a_100016259895_100009814810 [1,1,0,0,0,0|1,0,1]=4 4037 B12R1.288 CC=Cc1ccc(c(c1)N)CC 271570a_100016259895_100012354963 [1,1,0,0,0,0|2,0,0]=4 4038 B12R1.288 CC=Cc1ccc(c(c1)N)CO 271570a_100016259895_100000718831 [1,1,0,0,0,0|1,0,0]=3 4039 B12R1.288 CC=Cc1ccc(c(c1)N)NC 271570a_100016259895_100000741790 [1,1,0,0,0,0|2,0,0]=4 4040 B12R1.288 CC=Cc1ccc(c(c1)N)OC 271570a_100016259895_100000743470 [1,1,0,0,0,0|1,0,0]=3 4041 B12R1.288 CC=Cc1ccc(c(c1)O)C#N 271570a_100016259895_100011934713 [1,1,0,0,0,0|1,0,0]=3 4042 B12R1.288 CC=Cc1ccc(c(c1)O)C=O 271570a_100016259895_100011277552 [1,1,0,0,0,0|0,0,1]=3 4043 B12R1.288 CC=Cc1ccc(c(c1)O)CO 271570a_100016259895_100000071718 [1,1,0,0,0,0|0,0,0]=2 4044 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [1,1,0,0,0,0|0,0,0]=2 4045 B12R1.288 CC=Cc1ccc(c(n1)Br)OC 271570a_100016259895_100010214827 [1,1,0,0,0,0|2,0,0]=4 4046 B12R1.288 CC=Cc1ccc(c(n1)C)C#N 271570a_100016259895_100000756285 [1,1,0,0,0,0|2,0,0]=4 4047 B12R1.288 CC=Cc1ccc(c(n1)C)C=O 271570a_100016259895_100000050599 [1,1,0,0,0,0|1,0,1]=4 4048 B12R1.288 CC=Cc1ccc(c(n1)C)OC 271570a_100016259895_100010244750 [1,1,0,0,0,0|1,0,0]=3 4049 B12R1.288 CC=Cc1ccc(c(n1)Cl)OC 271570a_100016259895_100010233546 [1,1,0,0,0,0|2,0,0]=4 4050 B12R1.288 CC=Cc1ccc(c(n1)F)CO 271570a_100016259895_100009870654 [1,1,0,0,0,0|2,0,0]=4 4051 B12R1.288 CC=Cc1ccc(c(n1)F)OC 271570a_100016259895_100010138636 [1,1,0,0,0,0|2,0,0]=4 4052 B12R1.288 CC=Cc1ccc(c(n1)N)OC 271570a_100016259895_100010192976 [1,1,0,0,0,0|2,0,0]=4 4053 B12R1.288 CC=Cc1cnc(c(c1)Br)OC 271570a_100016259895_200010988584 [1,1,0,0,0,0|2,0,0]=4 4054 B12R1.288 CC=Cc1cnc(c(c1)C)C#N 271570a_100016259895_100009852605 [1,1,0,0,0,0|2,0,0]=4 4055 B12R1.288 CC=Cc1cnc(c(c1)C)C=O 271570a_100016259895_100010185443 [1,1,0,0,0,0|1,0,1]=4 4056 B12R1.288 CC=Cc1cnc(c(c1)C)CO 271570a_100016259895_100010116297 [1,1,0,0,0,0|1,0,0]=3 4057 B12R1.288 CC=Cc1cnc(c(c1)C)NC 271570a_100016259895_100012357622 [1,1,0,0,0,0|2,0,0]=4 4058 B12R1.288 CC=Cc1cnc(c(c1)C)OC 271570a_100016259895_100011290809 [1,1,0,0,0,0|1,0,0]=3 4059 B12R1.288 CC=Cc1cnc(c(c1)F)CO 271570a_100016259895_100010065252 [1,1,0,0,0,0|2,0,0]=4 4060 B12R1.288 CC=Cc1cnc(c(c1)F)OC 271570a_100016259895_100011880707 [1,1,0,0,0,0|2,0,0]=4 4061 B12R1.288 CC=Cc1cnc(c(c1)N)OC 271570a_100016259895_100000748608 [1,1,0,0,0,0|2,0,0]=4 4062 B12R1.288 CC=Cc1cnc(c(c1)O)C#N 271570a_100016259895_200013853302 [1,1,0,0,0,0|2,0,0]=4 4063 B12R1.288 CC=Cc1cnc(c(c1)O)OC 271570a_100016259895_100010135713 [1,1,0,0,0,0|1,0,0]=3 4064 B12R1.288 CC=Cc1ncc(c(n1)C)OC 271570a_100016259895_100010382893 [1,1,0,0,0,0|2,0,0]=4 4065 B12R1.288 CCNc1ccc(c(c1)C)CO 34a_100000102464_100000210202 [1,1,0,0,0,0|1,0,1]=4 4066 B12R1.288 CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210202 [1,1,0,0,0,0|1,0,1]=4 4067 B12R1.288 CCNc1ccc(c(c1)C)OC 34a_100000743268_100000210202 [1,1,0,0,0,0|1,0,1]=4 4068 B12R1.288 CCNc1ccc(c(c1)C)OC 7a_100000743268_100000210202 [1,1,0,0,0,0|1,0,1]=4 4069 B12R1.288 CCNc1ccc(c(c1)O)OC 34a_100000211920_100000210202 [1,1,0,0,0,0|1,0,1]=4 4070 B12R1.288 CCOc1ccc(c(c1)C)OC 34a_100000759738_100000210202 [1,1,0,0,0,0|1,0,1]=4 4071 B12R1.288 CCOc1ccc(c(c1)C)OC 7a_100000759738_100000210202 [1,1,0,0,0,0|1,0,1]=4 4072 B12R1.288 CCSc1ccc(c(c1)C)CO 62a_100000210202_100000748258 [1,1,0,0,0,0|1,0,1]=4 4073 B12R1.288 CCSc1ccc(c(c1)C)CO 62a_100000748258_100000210202 [1,1,0,0,0,0|1,0,1]=4 4074 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100000210202_100011219705 [1,1,0,0,0,0|1,0,1]=4 4075 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210202 [1,1,0,0,0,0|1,0,1]=4 4076 B12R1.288 CCSc1ccc(c(c1)O)CO 62a_100000071718_100000210202 [1,1,0,0,0,0|1,0,1]=4 4077 B12R1.288 CCSc1ccc(c(c1)O)CO 62a_100000210202_100000071718 [1,1,0,0,0,0|1,0,1]=4 4078 B12R1.288 CCSc1ccc(c(c1)O)OC 62a_100000210202_100009816560 [1,1,0,0,0,0|1,0,1]=4 4079 B12R1.288 CNCc1ccc(c(c1)C)OC 207a_100102657272_100000239718 [1,1,0,0,0,0|1,0,1]=4 4080 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_100102679029_200000210301 [1,1,0,0,0,0|1,0,1]=4 4081 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_106832991635_200011290836 [1,1,0,0,0,0|1,0,1]=4 4082 B12R1.288 CNCc1ccc(c(c1)C)OC 270004a_106832991635_100000239718 [1,1,0,0,0,0|1,0,1]=4 4083 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102657272_200011290836 [1,1,0,0,0,0|1,0,1]=4 4084 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102679029_200000210301 [1,1,0,0,0,0|1,0,1]=4 4085 B12R1.288 CNCc1ccc(c(c1)C)OC 7a_106832991635_200011290836 [1,1,0,0,0,0|1,0,1]=4 4086 B12R1.288 CNCc1ccc(c(c1)O)OC 34a_100000740000_200000210301 [1,1,0,0,0,0|1,0,1]=4 4087 B12R1.288 COCc1ccc(c(c1)C)OC 34a_100138415774_200011290836 [1,1,0,0,0,0|1,0,1]=4 4088 B12R1.288 COCc1ccc(c(c1)C)OC 34a_200011290855_200000210301 [1,1,0,0,0,0|1,0,1]=4 4089 B12R1.288 COCc1ccc(c(c1)C)OC 7a_200011290855_200000210301 [1,1,0,0,0,0|1,0,1]=4 4090 B12R1.288 COc1ccc(cc1C)CN[13CH3] 2230a_100102679029_200025704644 [1,1,0,0,0,0|1,0,1]=4 4091 B12R1.288 COc1ccc(cc1C)CN[13CH3] 34a_100102679029_200025704644 [1,1,0,0,0,0|1,0,1]=4 4092 B12R1.288 COc1ccc(cc1C)CO[13CH3] 34a_200011290855_200025704644 [1,1,0,0,0,0|1,0,1]=4 4093 B12R1.288 COc1ccc(cc1C)CO[13CH3] 7a_200011290855_200025704644 [1,1,0,0,0,0|1,0,1]=4 4094 B12R1.288 COc1ccc(cc1C)CSC 62a_200000210301_200011290836 [1,1,0,0,0,0|1,0,1]=4 4095 B12R1.288 COc1ccc(cc1C)CSC 62a_200011290836_200000210301 [1,1,0,0,0,0|1,0,1]=4 4096 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200011290836_200025704644 [1,1,0,0,0,0|1,0,1]=4 4097 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200025704644_200011290836 [1,1,0,0,0,0|1,0,1]=4 4098 B12R1.288 COc1ccc(cc1O)CN[13CH3] 34a_100000740000_200025704644 [1,1,0,0,0,0|1,0,1]=4 4099 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [1,1,0,0,0,0|1,0,1]=4 4100 B12R1.367 CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210202 [1,1,0,0,0,0|1,0,1]=4 4101 B12R1.367 CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210202 [1,1,0,0,0,0|1,0,1]=4 4102 B12R1.367 CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210202 [1,1,0,0,0,0|1,0,1]=4 4103 B12R1.367 CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210202 [1,1,0,0,0,0|1,0,1]=4 4104 B12R1.367 CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210202 [1,1,0,0,0,0|1,0,1]=4 4105 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [1,1,0,0,0,0|0,0,1]=3 4106 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [1,1,0,0,0,0|0,0,1]=3 4107 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [1,1,0,0,0,0|1,0,1]=4 4108 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [1,1,0,0,0,0|1,0,1]=4 4109 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [1,1,0,0,0,0|1,0,1]=4 4110 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [1,1,0,0,0,0|1,0,1]=4 4111 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [1,1,0,0,0,0|1,0,1]=4 4112 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [1,1,0,0,0,0|1,0,1]=4 4113 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [1,1,0,0,0,0|1,0,1]=4 4114 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [1,1,0,0,0,0|1,0,1]=4 4115 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [1,1,0,0,0,0|1,0,1]=4 4116 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [1,1,0,0,0,0|0,0,1]=3 4117 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [1,1,0,0,0,0|2,0,0]=4 4118 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 11a_106832991635_100000692631 [1,1,0,0,0,0|2,0,0]=4 4119 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 1626a_100102657272_100000692631 [1,1,0,0,0,0|2,0,0]=4 4120 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 240690a_100102657272_100000692631 [1,1,0,0,0,0|2,0,0]=4 4121 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 527a_100102657272_100000692631 [1,1,0,0,0,0|2,0,0]=4 4122 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 11a_106832991635_100000210898 [1,1,0,0,0,0|2,0,0]=4 4123 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 1626a_100102657272_100000210898 [1,1,0,0,0,0|2,0,0]=4 4124 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 240690a_100102657272_100000210898 [1,1,0,0,0,0|2,0,0]=4 4125 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 527a_100102657272_100000210898 [1,1,0,0,0,0|2,0,0]=4 4126 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 11a_106832991635_100000686306 [1,1,0,0,0,0|2,0,0]=4 4127 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 1626a_100102657272_100000686306 [1,1,0,0,0,0|2,0,0]=4 4128 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 240690a_100102657272_100000686306 [1,1,0,0,0,0|2,0,0]=4 4129 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 527a_100102657272_100000686306 [1,1,0,0,0,0|2,0,0]=4 4130 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 11a_106832991635_100000751819 [1,1,0,0,0,0|2,0,0]=4 4131 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 1626a_100102657272_100000751819 [1,1,0,0,0,0|2,0,0]=4 4132 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 240690a_100102657272_100000751819 [1,1,0,0,0,0|2,0,0]=4 4133 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 527a_100102657272_100000751819 [1,1,0,0,0,0|2,0,0]=4 4134 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 11a_106832991635_100000751300 [1,1,0,0,0,0|2,0,0]=4 4135 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 1626a_100102657272_100000751300 [1,1,0,0,0,0|2,0,0]=4 4136 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 240690a_100102657272_100000751300 [1,1,0,0,0,0|2,0,0]=4 4137 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 527a_100102657272_100000751300 [1,1,0,0,0,0|2,0,0]=4 4138 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [1,1,0,0,0,0|1,0,0]=3 4139 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [1,1,0,0,0,0|1,0,0]=3 4140 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [1,1,0,0,0,0|2,0,0]=4 4141 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [1,1,0,0,0,0|2,0,0]=4 4142 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [1,1,0,0,0,0|2,0,0]=4 4143 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [1,1,0,0,0,0|2,0,0]=4 4144 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [1,1,0,0,0,0|2,0,0]=4 4145 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [1,1,0,0,0,0|2,0,0]=4 4146 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [1,1,0,0,0,0|2,0,0]=4 4147 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [1,1,0,0,0,0|2,0,0]=4 4148 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [1,1,0,0,0,0|2,0,0]=4 4149 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [1,1,0,0,0,0|2,0,0]=4 4150 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [1,1,0,0,0,0|2,0,0]=4 4151 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [1,1,0,0,0,0|2,0,0]=4 4152 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [1,1,0,0,0,0|2,0,0]=4 4153 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [1,1,0,0,0,0|2,0,0]=4 4154 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [1,1,0,0,0,0|2,0,0]=4 4155 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [1,1,0,0,0,0|2,0,0]=4 4156 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [1,1,0,0,0,0|2,0,0]=4 4157 B12R1.367 CNC(C)c1ccc(c(c1)C)O 269862a_106832991636_100000188726 [1,1,0,0,0,0|1,0,1]=4 4158 B12R1.367 COC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100010080863 [1,1,0,0,0,0|2,0,0]=4 4159 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [1,1,0,0,0,0|2,0,0]=4 4160 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [1,1,0,0,0,0|1,0,0]=3 4161 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [1,1,0,0,0,0|2,0,0]=4 4162 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [1,1,0,0,0,0|2,0,0]=4 4163 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [1,1,0,0,0,0|2,0,0]=4 4164 B12R1.367 COC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100012349818 [1,1,0,0,0,0|2,0,0]=4 4165 B12R1.367 COC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011218856 [1,1,0,0,0,0|2,0,0]=4 4166 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [1,1,0,0,0,0|2,0,0]=4 4167 B12R1.367 COC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000722584 [1,1,0,0,0,0|2,0,0]=4 4168 B12R1.367 COC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000187552 [1,1,0,0,0,0|2,0,0]=4 4169 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [1,1,0,0,0,0|1,0,0]=3 4170 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [1,1,0,0,0,0|1,0,0]=3 4171 B12R1.367 COC(=O)c1ccc(c(n1)C)O 271570a_203496583355_100010207261 [1,1,0,0,0,0|2,0,0]=4 4172 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189637 [1,1,0,0,0,0|2,0,0]=4 4173 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_200009815348 [1,1,0,0,0,0|2,0,0]=4 4174 B12R1.367 COC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009862495 [1,1,0,0,0,0|2,0,0]=4 4175 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010109663 [1,1,0,0,0,0|2,0,0]=4 4176 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010999399 [1,1,0,0,0,0|2,0,0]=4 4177 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [1,1,0,0,0,0|1,0,1]=4 4178 B12R1.367 Cc1cc(ccc1O)C(=O)NN 271570a_203496583355_100012339724 [1,1,0,0,0,0|2,0,0]=4 4179 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [1,1,0,0,0,0|1,0,1]=4 4180 B12R1.385 C=CCNc1ccc(c(c1)C)O 34a_100011218179_100015514636 [1,1,0,0,0,0|0,0,2]=4 4181 B12R1.385 C=CCNc1ccc(c(c1)C)O 7a_100011218179_100015514636 [1,1,0,0,0,0|0,0,2]=4 4182 B12R1.385 C=CCNc1ccc(c(c1)O)O 34a_100102946323_100015514636 [1,1,0,0,0,0|0,0,2]=4 4183 B12R1.385 C=CCSc1ccc(c(c1)C)O 62a_100000210623_100000186361 [1,1,0,0,0,0|0,0,2]=4 4184 B12R1.385 C=CCSc1ccc(c(c1)O)O 62a_100000210623_100009813601 [1,1,0,0,0,0|0,0,2]=4 4185 B12R1.385 CC=NNc1ccc(c(c1)C)Br 4a_100000745493_200000210099 [1,1,0,0,0,0|2,0,0]=4 4186 B12R1.385 CC=NNc1ccc(c(c1)C)C 4a_100000004666_200000210099 [1,1,0,0,0,0|2,0,0]=4 4187 B12R1.385 CC=NNc1ccc(c(c1)C)Cl 4a_100015233126_200000210099 [1,1,0,0,0,0|2,0,0]=4 4188 B12R1.385 CCCCc1ccc(c(c1)C)O 271570a_100020621405_100000186361 [1,1,0,0,0,0|0,0,2]=4 4189 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [1,1,0,0,0,0|0,0,2]=4 4190 B12R1.385 CCCNc1ccc(c(c1)C)O 34a_100011218179_100000210303 [1,1,0,0,0,0|0,0,2]=4 4191 B12R1.385 CCCNc1ccc(c(c1)C)O 7a_100011218179_100000210303 [1,1,0,0,0,0|0,0,2]=4 4192 B12R1.385 CCCNc1ccc(c(c1)O)O 34a_100102946323_100000210303 [1,1,0,0,0,0|0,0,2]=4 4193 B12R1.385 CCCOc1ccc(c(c1)C)O 271570a_203496583355_200012361509 [1,1,0,0,0,0|0,0,2]=4 4194 B12R1.385 CCCSc1ccc(c(c1)C)O 62a_100000210303_100000186361 [1,1,0,0,0,0|0,0,2]=4 4195 B12R1.385 CCCSc1ccc(c(c1)O)O 62a_100000210303_100009813601 [1,1,0,0,0,0|0,0,2]=4 4196 B12R1.385 CCNCc1ccc(c(c1)O)O 34a_100000010075_100000210202 [1,1,0,0,0,0|0,0,2]=4 4197 B12R1.385 CNCCc1ccc(c(c1)O)O 34a_100000210387_200000210301 [1,1,0,0,0,0|0,0,2]=4 4198 B12R1.385 CNCCc1ccc(c(c1)O)O 7a_106832991635_200010393615 [1,1,0,0,0,0|0,0,2]=4 4199 B12R1.385 COCSc1ccc(c(c1)C)O 62a_100000766300_100000186361 [1,1,0,0,0,0|1,0,1]=4 4200 B12R1.385 COCSc1ccc(c(c1)O)O 62a_100000766300_100009813601 [1,1,0,0,0,0|1,0,1]=4 4201 B12R1.385 CSCCc1ccc(c(c1)O)O 62a_200000210301_200010393615 [1,1,0,0,0,0|0,0,2]=4 4202 B12R1.385 CSCNc1ccc(c(c1)C)O 34a_100011218179_100011218213 [1,1,0,0,0,0|1,0,1]=4 4203 B12R1.385 CSCNc1ccc(c(c1)O)O 34a_100102946323_100011218213 [1,1,0,0,0,0|1,0,1]=4 4204 B12R1.385 CSCSc1ccc(c(c1)C)O 62a_100011218213_100000186361 [1,1,0,0,0,0|1,0,1]=4 4205 B12R1.385 CSCSc1ccc(c(c1)O)O 62a_100011218213_100009813601 [1,1,0,0,0,0|1,0,1]=4 4206 B12R1.385 Cc1cc(ccc1O)NCC=O 34a_100011218179_200009817547 [1,1,0,0,0,0|1,0,1]=4 4207 B12R1.385 Cc1cc(ccc1O)NCC=O 7a_100011218179_200015260668 [1,1,0,0,0,0|1,0,1]=4 4208 B12R1.385 Cc1cc(ccc1O)NCCF 34a_100011218179_100011217306 [1,1,0,0,0,0|1,0,1]=4 4209 B12R1.385 Cc1cc(ccc1O)NCCF 7a_100011218179_100011217306 [1,1,0,0,0,0|1,0,1]=4 4210 B12R1.385 Cc1cc(ccc1O)NCCO 34a_100011218179_100000211926 [1,1,0,0,0,0|1,0,1]=4 4211 B12R1.385 Cc1cc(ccc1O)NCCO 7a_100011218179_100000211926 [1,1,0,0,0,0|1,0,1]=4 4212 B12R1.385 Cc1cc(ccc1O)SCC=O 62a_200015260668_100000186361 [1,1,0,0,0,0|1,0,1]=4 4213 B12R1.385 Cc1cc(ccc1O)SCCF 62a_100011217306_100000186361 [1,1,0,0,0,0|1,0,1]=4 4214 B12R1.385 Cc1cc(ccc1O)SCCO 62a_100000211926_100000186361 [1,1,0,0,0,0|1,0,1]=4 4215 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [1,1,0,0,0,0|1,0,1]=4 4216 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [1,1,0,0,0,0|1,0,1]=4 4217 B12R1.385 OCCNc1ccc(c(c1)O)O 34a_100102946323_100000211926 [1,1,0,0,0,0|1,0,1]=4 4218 B12R1.385 OCCSc1ccc(c(c1)O)O 62a_100000211926_100009813601 [1,1,0,0,0,0|1,0,1]=4 4219 B12R1.385 Oc1ccc(cc1O)CNCF 34a_100000010075_100015361967 [1,1,0,0,0,0|1,0,1]=4 4220 B12R1.385 Oc1ccc(cc1O)NCCF 34a_100102946323_100011217306 [1,1,0,0,0,0|1,0,1]=4 4221 B12R1.385 Oc1ccc(cc1O)SCCF 62a_100011217306_100009813601 [1,1,0,0,0,0|1,0,1]=4 4222 B12R1.385 [13CH3]NCCc1ccc(c(c1)O)O 34a_100000210387_200025704644 [1,1,0,0,0,0|0,0,2]=4 4223 B12R1.385 [13CH3]SCCc1ccc(c(c1)O)O 62a_200025704644_200010393615 [1,1,0,0,0,0|0,0,2]=4 4224 B12R1.544 C=C=Cc1ccc(c(c1C)C)O 271570a_100015277604_100012353674 [1,1,0,0,0,0|0,0,2]=4 4225 B12R1.544 C=C=Cc1ccc(c(c1F)C)O 271570a_100015277604_100010390934 [1,1,0,0,0,0|0,0,2]=4 4226 B12R1.544 CC=Cc1cc[n+](c(c1C)C)[O-] 271570a_100016259895_100000083769 [1,1,0,0,0,0|1,0,1]=4 4227 B12R1.544 CC=Cc1ccc(c(c1C)C)Br 271570a_100016259895_200010185626 [1,1,0,0,0,0|1,0,0]=3 4228 B12R1.544 CC=Cc1ccc(c(c1C)C)F 271570a_100016259895_100009816033 [1,1,0,0,0,0|1,0,0]=3 4229 B12R1.544 CC=Cc1ccc(c(c1C)C)N 271570a_100016259895_100009816967 [1,1,0,0,0,0|1,0,0]=3 4230 B12R1.544 CC=Cc1ccc(c(c1C)C)O 271570a_100016259895_100012353674 [1,1,0,0,0,0|0,0,0]=2 4231 B12R1.544 CC=Cc1ccc(c(c1C)Cl)Br 271570a_100016259895_200010212245 [1,1,0,0,0,0|2,0,0]=4 4232 B12R1.544 CC=Cc1ccc(c(c1C)F)Br 271570a_100016259895_100010208201 [1,1,0,0,0,0|2,0,0]=4 4233 B12R1.544 CC=Cc1ccc(c(c1C)F)F 271570a_100016259895_100009815991 [1,1,0,0,0,0|2,0,0]=4 4234 B12R1.544 CC=Cc1ccc(c(c1C)F)N 271570a_100016259895_100000722916 [1,1,0,0,0,0|2,0,0]=4 4235 B12R1.544 CC=Cc1ccc(c(c1C)N)C 271570a_100016259895_200010074581 [1,1,0,0,0,0|2,0,0]=4 4236 B12R1.544 CC=Cc1ccc(c(c1C)N)F 271570a_100016259895_100010588651 [1,1,0,0,0,0|2,0,0]=4 4237 B12R1.544 CC=Cc1ccc(c(c1C)N)N 271570a_100016259895_100010009725 [1,1,0,0,0,0|2,0,0]=4 4238 B12R1.544 CC=Cc1ccc(c(c1C)N)O 271570a_100016259895_100013039247 [1,1,0,0,0,0|1,0,0]=3 4239 B12R1.544 CC=Cc1ccc(c(c1Cl)C)Br 271570a_100016259895_100055076181 [1,1,0,0,0,0|1,0,0]=3 4240 B12R1.544 CC=Cc1ccc(c(c1Cl)C)Cl 271570a_100016259895_100010730154 [1,1,0,0,0,0|1,0,0]=3 4241 B12R1.544 CC=Cc1ccc(c(c1Cl)Cl)Br 271570a_100016259895_200012356690 [1,1,0,0,0,0|2,0,0]=4 4242 B12R1.544 CC=Cc1ccc(c(c1F)Br)F 271570a_100016259895_100010167943 [1,1,0,0,0,0|2,0,0]=4 4243 B12R1.544 CC=Cc1ccc(c(c1F)Br)N 271570a_100016259895_100015781493 [1,1,0,0,0,0|2,0,0]=4 4244 B12R1.544 CC=Cc1ccc(c(c1F)C)C 271570a_100016259895_200015555822 [1,1,0,0,0,0|1,0,0]=3 4245 B12R1.544 CC=Cc1ccc(c(c1F)C)F 271570a_100016259895_100009815987 [1,1,0,0,0,0|1,0,0]=3 4246 B12R1.544 CC=Cc1ccc(c(c1F)C)N 271570a_100016259895_100010208198 [1,1,0,0,0,0|1,0,0]=3 4247 B12R1.544 CC=Cc1ccc(c(c1F)C)O 271570a_100016259895_100010390934 [1,1,0,0,0,0|0,0,0]=2 4248 B12R1.544 CC=Cc1ccc(c(c1F)Cl)Br 271570a_100016259895_100010212236 [1,1,0,0,0,0|2,0,0]=4 4249 B12R1.544 CC=Cc1ccc(c(c1F)Cl)F 271570a_100016259895_200000038702 [1,1,0,0,0,0|2,0,0]=4 4250 B12R1.544 CC=Cc1ccc(c(c1F)F)Br 271570a_100016259895_100010212264 [1,1,0,0,0,0|2,0,0]=4 4251 B12R1.544 CC=Cc1ccc(c(c1F)F)C 271570a_100016259895_100012766498 [1,1,0,0,0,0|2,0,0]=4 4252 B12R1.544 CC=Cc1ccc(c(c1F)F)F 271570a_100016259895_100000750562 [1,1,0,0,0,0|2,0,0]=4 4253 B12R1.544 CC=Cc1ccc(c(c1F)F)N 271570a_100016259895_100010200256 [1,1,0,0,0,0|2,0,0]=4 4254 B12R1.544 CC=Cc1ccc(c(c1F)F)O 271570a_100016259895_100011830415 [1,1,0,0,0,0|1,0,0]=3 4255 B12R1.544 CC=Cc1ccc(c(c1F)N)F 271570a_100016259895_100025793129 [1,1,0,0,0,0|2,0,0]=4 4256 B12R1.544 CC=Cc1ccc(c(c1F)N)N 271570a_100016259895_100009814308 [1,1,0,0,0,0|2,0,0]=4 4257 B12R1.544 CC=Cc1ccc(c(c1F)O)Br 271570a_100016259895_200010782288 [1,1,0,0,0,0|1,0,0]=3 4258 B12R1.544 CC=Cc1ccc(c(c1F)O)F 271570a_100016259895_100010167067 [1,1,0,0,0,0|1,0,0]=3 4259 B12R1.544 CC=Cc1ccc(c(c1N)C)F 271570a_100016259895_100011009917 [1,1,0,0,0,0|1,0,0]=3 4260 B12R1.544 CC=Cc1ccc(c(c1N)F)F 271570a_100016259895_100010008850 [1,1,0,0,0,0|2,0,0]=4 4261 B12R1.544 CC=Cc1ccc(c(c1N)N)F 271570a_100016259895_100011102919 [1,1,0,0,0,0|2,0,0]=4 4262 B12R1.544 CC=Cc1ccc(c(c1N)O)Br 271570a_100016259895_100020748643 [1,1,0,0,0,0|1,0,0]=3 4263 B12R1.544 CC=Cc1ccc(c(c1O)C)F 271570a_100016259895_200010391124 [1,1,0,0,0,0|1,0,0]=3 4264 B12R1.544 CC=Cc1ccc(c(c1O)F)C 271570a_100016259895_100000722096 [1,1,0,0,0,0|2,0,0]=4 4265 B12R1.544 CC=Cc1ccc(c(c1O)F)F 271570a_100016259895_100010243909 [1,1,0,0,0,0|2,0,0]=4 4266 B12R1.544 CC=Cc1cnc(c(c1C)C)N 271570a_100016259895_100009813837 [1,1,0,0,0,0|2,0,0]=4 4267 B12R1.544 CC=Cc1cnc(c(c1C)C)O 271570a_100016259895_200011099879 [1,1,0,0,0,0|1,0,0]=3 4268 B12R1.544 CCNc1ccc(c(c1C)C)O 34a_200011216674_100000210202 [1,1,0,0,0,0|1,0,1]=4 4269 B12R1.544 CCNc1ccc(c(c1C)C)O 7a_200011216674_100000210202 [1,1,0,0,0,0|1,0,1]=4 4270 B12R1.544 CCNc1ccc(c(c1F)C)O 34a_200000126710_100000210202 [1,1,0,0,0,0|1,0,1]=4 4271 B12R1.544 CCNc1ccc(c(c1F)C)O 7a_200000126710_100000210202 [1,1,0,0,0,0|1,0,1]=4 4272 B12R1.544 CCSc1ccc(c(c1C)C)O 62a_100000210202_100012353674 [1,1,0,0,0,0|1,0,1]=4 4273 B12R1.544 CCSc1ccc(c(c1C)C)O 62a_100012353674_100000210202 [1,1,0,0,0,0|1,0,1]=4 4274 B12R1.544 CCSc1ccc(c(c1F)C)O 62a_100000210202_100010390934 [1,1,0,0,0,0|1,0,1]=4 4275 B12R1.544 CCSc1ccc(c(c1F)C)O 62a_100010390934_100000210202 [1,1,0,0,0,0|1,0,1]=4 4276 B12R1.1123 C=C=Cc1cc(c(cc1C)O)C 271570a_100015277604_100000698207 [1,1,0,0,0,0|0,0,2]=4 4277 B12R1.1123 CC=Cc1cc(c([nH]c1=O)C)C 271570a_100016259895_100010064231 [1,1,0,0,0,0|2,0,0]=4 4278 B12R1.1123 CC=Cc1cc(c(cc1Br)Br)F 271570a_100016259895_200010212206 [1,1,0,0,0,0|2,0,0]=4 4279 B12R1.1123 CC=Cc1cc(c(cc1Br)C)Br 271570a_100016259895_100012929169 [1,1,0,0,0,0|2,0,0]=4 4280 B12R1.1123 CC=Cc1cc(c(cc1Br)C)F 271570a_100016259895_200009814774 [1,1,0,0,0,0|2,0,0]=4 4281 B12R1.1123 CC=Cc1cc(c(cc1Br)Cl)F 271570a_100016259895_100010254745 [1,1,0,0,0,0|2,0,0]=4 4282 B12R1.1123 CC=Cc1cc(c(cc1Br)Cl)O 271570a_100016259895_100021297947 [1,1,0,0,0,0|1,0,0]=3 4283 B12R1.1123 CC=Cc1cc(c(cc1Br)F)C 271570a_100016259895_200009814773 [1,1,0,0,0,0|1,0,0]=3 4284 B12R1.1123 CC=Cc1cc(c(cc1Br)F)F 271570a_100016259895_100010259568 [1,1,0,0,0,0|2,0,0]=4 4285 B12R1.1123 CC=Cc1cc(c(cc1C)Br)C 271570a_100016259895_100011356911 [1,1,0,0,0,0|1,0,0]=3 4286 B12R1.1123 CC=Cc1cc(c(cc1C)Br)Cl 271570a_100016259895_200009814780 [1,1,0,0,0,0|2,0,0]=4 4287 B12R1.1123 CC=Cc1cc(c(cc1C)Br)F 271570a_100016259895_100011356895 [1,1,0,0,0,0|2,0,0]=4 4288 B12R1.1123 CC=Cc1cc(c(cc1C)C)C 271570a_100016259895_100000759388 [1,1,0,0,0,0|1,0,0]=3 4289 B12R1.1123 CC=Cc1cc(c(cc1C)C)N 271570a_100016259895_100000703630 [1,1,0,0,0,0|2,0,0]=4 4290 B12R1.1123 CC=Cc1cc(c(cc1C)Cl)C 271570a_100016259895_100012357408 [1,1,0,0,0,0|1,0,0]=3 4291 B12R1.1123 CC=Cc1cc(c(cc1C)F)Br 271570a_100016259895_100011216669 [1,1,0,0,0,0|2,0,0]=4 4292 B12R1.1123 CC=Cc1cc(c(cc1C)F)C 271570a_100016259895_100010212296 [1,1,0,0,0,0|1,0,0]=3 4293 B12R1.1123 CC=Cc1cc(c(cc1C)F)F 271570a_100016259895_100009815990 [1,1,0,0,0,0|2,0,0]=4 4294 B12R1.1123 CC=Cc1cc(c(cc1C)F)N 271570a_100016259895_100011014115 [1,1,0,0,0,0|2,0,0]=4 4295 B12R1.1123 CC=Cc1cc(c(cc1C)F)O 271570a_100016259895_100010068922 [1,1,0,0,0,0|1,0,0]=3 4296 B12R1.1123 CC=Cc1cc(c(cc1C)N)C 271570a_100016259895_100011934712 [1,1,0,0,0,0|1,0,0]=3 4297 B12R1.1123 CC=Cc1cc(c(cc1C)N)F 271570a_100016259895_100000691575 [1,1,0,0,0,0|2,0,0]=4 4298 B12R1.1123 CC=Cc1cc(c(cc1C)N)N 271570a_100016259895_100010080480 [1,1,0,0,0,0|2,0,0]=4 4299 B12R1.1123 CC=Cc1cc(c(cc1C)N)O 271570a_100016259895_200010107346 [1,1,0,0,0,0|1,0,0]=3 4300 B12R1.1123 CC=Cc1cc(c(cc1C)O)C 271570a_100016259895_100000698207 [1,1,0,0,0,0|0,0,0]=2 4301 B12R1.1123 CC=Cc1cc(c(cc1C)O)F 271570a_100016259895_100012355673 [1,1,0,0,0,0|1,0,0]=3 4302 B12R1.1123 CC=Cc1cc(c(cc1C)O)N 271570a_100016259895_200010235796 [1,1,0,0,0,0|1,0,0]=3 4303 B12R1.1123 CC=Cc1cc(c(cc1Cl)Br)C 271570a_100016259895_100010259621 [1,1,0,0,0,0|1,0,0]=3 4304 B12R1.1123 CC=Cc1cc(c(cc1Cl)Br)Cl 271570a_100016259895_200010244590 [1,1,0,0,0,0|2,0,0]=4 4305 B12R1.1123 CC=Cc1cc(c(cc1Cl)Br)F 271570a_100016259895_100010212230 [1,1,0,0,0,0|2,0,0]=4 4306 B12R1.1123 CC=Cc1cc(c(cc1Cl)Cl)Cl 271570a_100016259895_200011216203 [1,1,0,0,0,0|2,0,0]=4 4307 B12R1.1123 CC=Cc1cc(c(cc1Cl)Cl)N 271570a_100016259895_100016224655 [1,1,0,0,0,0|2,0,0]=4 4308 B12R1.1123 CC=Cc1cc(c(cc1Cl)F)F 271570a_100016259895_100012349977 [1,1,0,0,0,0|2,0,0]=4 4309 B12R1.1123 CC=Cc1cc(c(cc1Cl)O)N 271570a_100016259895_100011011175 [1,1,0,0,0,0|1,0,0]=3 4310 B12R1.1123 CC=Cc1cc(c(cc1F)Br)Br 271570a_100016259895_200010212210 [1,1,0,0,0,0|2,0,0]=4 4311 B12R1.1123 CC=Cc1cc(c(cc1F)Br)C 271570a_100016259895_200009814772 [1,1,0,0,0,0|1,0,0]=3 4312 B12R1.1123 CC=Cc1cc(c(cc1F)Br)F 271570a_100016259895_100011356857 [1,1,0,0,0,0|2,0,0]=4 4313 B12R1.1123 CC=Cc1cc(c(cc1F)C)Br 271570a_100016259895_100011068846 [1,1,0,0,0,0|2,0,0]=4 4314 B12R1.1123 CC=Cc1cc(c(cc1F)C)C 271570a_100016259895_100010197417 [1,1,0,0,0,0|1,0,0]=3 4315 B12R1.1123 CC=Cc1cc(c(cc1F)C)F 271570a_100016259895_100011219510 [1,1,0,0,0,0|2,0,0]=4 4316 B12R1.1123 CC=Cc1cc(c(cc1F)C)N 271570a_100016259895_100000717900 [1,1,0,0,0,0|2,0,0]=4 4317 B12R1.1123 CC=Cc1cc(c(cc1F)C)O 271570a_100016259895_100014242602 [1,1,0,0,0,0|1,0,0]=3 4318 B12R1.1123 CC=Cc1cc(c(cc1F)Cl)F 271570a_100016259895_100010142863 [1,1,0,0,0,0|2,0,0]=4 4319 B12R1.1123 CC=Cc1cc(c(cc1F)Cl)O 271570a_100016259895_100010735246 [1,1,0,0,0,0|1,0,0]=3 4320 B12R1.1123 CC=Cc1cc(c(cc1F)F)Br 271570a_100016259895_100011356914 [1,1,0,0,0,0|2,0,0]=4 4321 B12R1.1123 CC=Cc1cc(c(cc1F)F)C 271570a_100016259895_100000692463 [1,1,0,0,0,0|1,0,0]=3 4322 B12R1.1123 CC=Cc1cc(c(cc1F)F)F 271570a_100016259895_100000686897 [1,1,0,0,0,0|2,0,0]=4 4323 B12R1.1123 CC=Cc1cc(c(cc1F)F)N 271570a_100016259895_100000700208 [1,1,0,0,0,0|2,0,0]=4 4324 B12R1.1123 CC=Cc1cc(c(cc1F)F)O 271570a_100016259895_100012457948 [1,1,0,0,0,0|1,0,0]=3 4325 B12R1.1123 CC=Cc1cc(c(cc1F)N)C 271570a_100016259895_100000695870 [1,1,0,0,0,0|1,0,0]=3 4326 B12R1.1123 CC=Cc1cc(c(cc1F)N)F 271570a_100016259895_100000690247 [1,1,0,0,0,0|2,0,0]=4 4327 B12R1.1123 CC=Cc1cc(c(cc1F)N)N 271570a_100016259895_100000766667 [1,1,0,0,0,0|2,0,0]=4 4328 B12R1.1123 CC=Cc1cc(c(cc1F)N)O 271570a_100016259895_100013038943 [1,1,0,0,0,0|1,0,0]=3 4329 B12R1.1123 CC=Cc1cc(c(cc1F)O)F 271570a_100016259895_100011830439 [1,1,0,0,0,0|1,0,0]=3 4330 B12R1.1123 CC=Cc1cc(c(cc1F)O)N 271570a_100016259895_100012359894 [1,1,0,0,0,0|1,0,0]=3 4331 B12R1.1123 CC=Cc1cc(c(cc1N)Br)C 271570a_100016259895_200015600912 [1,1,0,0,0,0|1,0,0]=3 4332 B12R1.1123 CC=Cc1cc(c(cc1N)Br)F 271570a_100016259895_200021016574 [1,1,0,0,0,0|2,0,0]=4 4333 B12R1.1123 CC=Cc1cc(c(cc1N)C)C 271570a_100016259895_100012337760 [1,1,0,0,0,0|1,0,0]=3 4334 B12R1.1123 CC=Cc1cc(c(cc1N)C)F 271570a_100016259895_100010233353 [1,1,0,0,0,0|2,0,0]=4 4335 B12R1.1123 CC=Cc1cc(c(cc1N)Cl)Cl 271570a_100016259895_200011093942 [1,1,0,0,0,0|2,0,0]=4 4336 B12R1.1123 CC=Cc1cc(c(cc1N)Cl)F 271570a_100016259895_200010992381 [1,1,0,0,0,0|2,0,0]=4 4337 B12R1.1123 CC=Cc1cc(c(cc1N)F)Br 271570a_100016259895_100010888672 [1,1,0,0,0,0|2,0,0]=4 4338 B12R1.1123 CC=Cc1cc(c(cc1N)F)C 271570a_100016259895_100011218008 [1,1,0,0,0,0|1,0,0]=3 4339 B12R1.1123 CC=Cc1cc(c(cc1N)F)Cl 271570a_100016259895_100010892166 [1,1,0,0,0,0|2,0,0]=4 4340 B12R1.1123 CC=Cc1cc(c(cc1N)F)F 271570a_100016259895_100000765032 [1,1,0,0,0,0|2,0,0]=4 4341 B12R1.1123 CC=Cc1cc(c(cc1N)N)C 271570a_100016259895_200013038441 [1,1,0,0,0,0|1,0,0]=3 4342 B12R1.1123 CC=Cc1cc(c(cc1N)N)F 271570a_100016259895_200010115645 [1,1,0,0,0,0|2,0,0]=4 4343 B12R1.1123 CC=Cc1cc(c(cc1O)C)C 271570a_100016259895_100009814663 [1,1,0,0,0,0|1,0,0]=3 4344 B12R1.1123 CC=Cc1cc(c(cc1O)F)F 271570a_100016259895_100009813768 [1,1,0,0,0,0|2,0,0]=4 4345 B12R1.1123 CC=Cc1cc(c(nc1N)C)C 271570a_100016259895_100009990238 [1,1,0,0,0,0|2,0,0]=4 4346 B12R1.1123 CCNc1cc(c(cc1C)O)C 34a_100000720036_100000210202 [1,1,0,0,0,0|1,0,1]=4 4347 B12R1.1123 CCNc1cc(c(cc1C)O)C 7a_100000720036_100000210202 [1,1,0,0,0,0|1,0,1]=4 4348 B12R1.1123 CCSc1cc(c(cc1C)O)C 62a_100000210202_100000698207 [1,1,0,0,0,0|1,0,1]=4 4349 B12R1.1123 CCSc1cc(c(cc1C)O)C 62a_100000698207_100000210202 [1,1,0,0,0,0|1,0,1]=4 4350 B12R1.56 C=C(C)c1c[nH]c(=O)c(c1)OC 271570a_100000694244_100010125397 [1,1,0,0,0,0|1,0,1]=4 4351 B12R1.56 C=C(C)c1cc(c(cn1)C)OC 271570a_100000694244_100010067687 [1,1,0,0,0,0|2,0,0]=4 4352 B12R1.56 C=C(C)c1cc(c(cn1)F)OC 271570a_100000694244_200010136270 [1,1,0,0,0,0|2,0,0]=4 4353 B12R1.56 C=C(C)c1cc(c(cn1)N)OC 271570a_100000694244_100009887741 [1,1,0,0,0,0|2,0,0]=4 4354 B12R1.56 C=C(C)c1ccc(c(c1)C#N)O 271570a_100000694244_100000687585 [1,1,0,0,0,0|2,0,0]=4 4355 B12R1.56 C=C(C)c1ccc(c(c1)C=O)O 271570a_100000694244_100000186750 [1,1,0,0,0,0|2,0,0]=4 4356 B12R1.56 C=C(C)c1ccc(c(c1)CC)Br 271570a_100000694244_100010244631 [1,1,0,0,0,0|2,0,0]=4 4357 B12R1.56 C=C(C)c1ccc(c(c1)CC)F 271570a_100000694244_100010244625 [1,1,0,0,0,0|2,0,0]=4 4358 B12R1.56 C=C(C)c1ccc(c(c1)CC)N 271570a_100000694244_100000686106 [1,1,0,0,0,0|2,0,0]=4 4359 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [1,1,0,0,0,0|1,0,0]=3 4360 B12R1.56 C=C(C)c1ccc(c(c1)CN)O 271570a_100000694244_100000730032 [1,1,0,0,0,0|2,0,0]=4 4361 B12R1.56 C=C(C)c1ccc(c(c1)CO)O 271570a_100000694244_100000184703 [1,1,0,0,0,0|2,0,0]=4 4362 B12R1.56 C=C(C)c1ccc(c(c1)NC)C 271570a_100000694244_100020629602 [1,1,0,0,0,0|2,0,0]=4 4363 B12R1.56 C=C(C)c1ccc(c(c1)NC)F 271570a_100000694244_100011314990 [1,1,0,0,0,0|2,0,0]=4 4364 B12R1.56 C=C(C)c1ccc(c(c1)NC)N 271570a_100000694244_100000694363 [1,1,0,0,0,0|2,0,0]=4 4365 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [1,1,0,0,0,0|1,0,0]=3 4366 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [1,1,0,0,0,0|1,0,0]=3 4367 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [1,1,0,0,0,0|1,0,0]=3 4368 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [1,1,0,0,0,0|1,0,0]=3 4369 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [1,1,0,0,0,0|1,0,0]=3 4370 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [1,1,0,0,0,0|0,0,0]=2 4371 B12R1.56 C=C(C)c1ccc(c(c1)SC)F 271570a_100000694244_100010341305 [1,1,0,0,0,0|1,1,0]=4 4372 B12R1.56 C=C(C)c1ccc(c(n1)OC)N 271570a_100000694244_100000687816 [1,1,0,0,0,0|2,0,0]=4 4373 B12R1.56 C=C(C)c1ccc(c(n1)OC)O 271570a_100000694244_100010893133 [1,1,0,0,0,0|1,0,0]=3 4374 B12R1.56 C=C(C)c1cnc(c(c1)OC)C 271570a_100000694244_100010254219 [1,1,0,0,0,0|2,0,0]=4 4375 B12R1.56 C=C(C)c1cnc(c(c1)OC)F 271570a_100000694244_100010214931 [1,1,0,0,0,0|2,0,0]=4 4376 B12R1.56 C=C(C)c1cnc(c(c1)OC)N 271570a_100000694244_106354213024 [1,1,0,0,0,0|2,0,0]=4 4377 B12R1.56 C=C(C)c1cnc(c(n1)OC)O 271570a_100000694244_200010365344 [1,1,0,0,0,0|2,0,0]=4 4378 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [1,1,0,0,0,0|1,0,1]=4 4379 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [1,1,0,0,0,0|2,0,0]=4 4380 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [1,1,0,0,0,0|2,0,0]=4 4381 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [1,1,0,0,0,0|1,0,0]=3 4382 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [1,1,0,0,0,0|1,0,0]=3 4383 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [1,1,0,0,0,0|1,0,0]=3 4384 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [1,1,0,0,0,0|1,0,0]=3 4385 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [1,1,0,0,0,0|1,1,0]=4 4386 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [1,1,0,0,0,0|1,1,0]=4 4387 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [1,1,0,0,0,0|1,1,0]=4 4388 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [1,1,0,0,0,0|1,1,0]=4 4389 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [1,1,0,0,0,0|1,1,0]=4 4390 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [1,1,0,0,0,0|1,1,0]=4 4391 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [1,1,0,0,0,0|1,1,0]=4 4392 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [1,1,0,0,0,0|0,1,0]=3 4393 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 34a_200000187366_200025704644 [1,1,0,0,0,0|1,0,1]=4 4394 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 7a_200000187366_200025704644 [1,1,0,0,0,0|1,0,1]=4 4395 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [1,1,0,0,0,0|2,0,0]=4 4396 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [1,1,0,0,0,0|2,0,0]=4 4397 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [1,1,0,0,0,0|2,0,0]=4 4398 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [1,1,0,0,0,0|2,0,0]=4 4399 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [1,1,0,0,0,0|2,0,0]=4 4400 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [1,1,0,0,0,0|2,0,0]=4 4401 B12R1.56 CNc1cc(ccc1O)C(C)C 34a_200000187366_200000210301 [1,1,0,0,0,0|1,0,1]=4 4402 B12R1.56 CNc1cc(ccc1O)C(C)C 7a_200000187366_200000210301 [1,1,0,0,0,0|1,0,1]=4 4403 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [1,1,0,0,0,0|1,0,0]=3 4404 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [1,1,0,0,0,0|2,0,0]=4 4405 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [1,1,0,0,0,0|2,0,0]=4 4406 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [1,1,0,0,0,0|1,0,0]=3 4407 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [1,1,0,0,0,0|1,0,0]=3 4408 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [1,1,0,0,0,0|1,0,0]=3 4409 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [1,1,0,0,0,0|1,0,0]=3 4410 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [1,1,0,0,0,0|1,0,0]=3 4411 B12R1.56 COc1cc(ccc1C)C(C)C 34a_100000212073_200000210301 [1,1,0,0,0,0|1,0,1]=4 4412 B12R1.56 COc1cc(ccc1C)C(C)C 7a_100000212073_200000210301 [1,1,0,0,0,0|1,0,1]=4 4413 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [1,1,0,0,0,0|1,0,0]=3 4414 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [1,1,0,0,0,0|1,0,0]=3 4415 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [1,1,0,0,0,0|1,0,0]=3 4416 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [1,1,0,0,0,0|1,0,0]=3 4417 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [1,1,0,0,0,0|1,0,0]=3 4418 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [1,1,0,0,0,0|1,0,0]=3 4419 B12R1.56 COc1cc(ccc1F)N(C)C 2230a_200012002703_200000210301 [1,1,0,0,0,0|2,0,0]=4 4420 B12R1.56 COc1cc(ccc1F)N(C)C 269982a_200012002703_200000210301 [1,1,0,0,0,0|2,0,0]=4 4421 B12R1.56 COc1cc(ccc1F)N(C)C 34a_200012002703_200000210301 [1,1,0,0,0,0|2,0,0]=4 4422 B12R1.56 COc1cc(ccc1F)N(C)C 38a_200012002703_200000210301 [1,1,0,0,0,0|2,0,0]=4 4423 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 2230a_200012002703_200025704644 [1,1,0,0,0,0|2,0,0]=4 4424 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 269982a_200012002703_200025704644 [1,1,0,0,0,0|2,0,0]=4 4425 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 34a_200012002703_200025704644 [1,1,0,0,0,0|2,0,0]=4 4426 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 38a_200012002703_200025704644 [1,1,0,0,0,0|2,0,0]=4 4427 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [1,1,0,0,0,0|1,0,0]=3 4428 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [1,1,0,0,0,0|1,0,0]=3 4429 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [1,1,0,0,0,0|2,0,0]=4 4430 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [1,1,0,0,0,0|2,0,0]=4 4431 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [1,1,0,0,0,0|2,0,0]=4 4432 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [1,1,0,0,0,0|0,0,0]=2 4433 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [1,1,0,0,0,0|0,0,0]=2 4434 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [1,1,0,0,0,0|1,0,0]=3 4435 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [1,1,0,0,0,0|0,0,0]=2 4436 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [1,1,0,0,0,0|0,0,1]=3 4437 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [1,1,0,0,0,0|1,1,0]=4 4438 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [1,1,0,0,0,0|1,1,0]=4 4439 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [1,1,0,0,0,0|1,1,0]=4 4440 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [1,1,0,0,0,0|1,1,0]=4 4441 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [1,1,0,0,0,0|1,1,0]=4 4442 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [1,1,0,0,0,0|1,1,0]=4 4443 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [1,1,0,0,0,0|1,1,0]=4 4444 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [1,1,0,0,0,0|0,1,0]=3 4445 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 34a_100000212073_200025704644 [1,1,0,0,0,0|1,0,1]=4 4446 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 7a_100000212073_200025704644 [1,1,0,0,0,0|1,0,1]=4 4447 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [1,1,0,0,0,0|2,0,0]=4 4448 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [1,1,0,0,0,0|2,0,0]=4 4449 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [1,1,0,0,0,0|2,0,0]=4 4450 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [1,1,0,0,0,0|2,0,0]=4 4451 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [1,1,0,0,0,0|2,0,0]=4 4452 B12R1.78 C=Cc1cc(c(cn1)C#N)OC 271570a_100011290941_100009830018 [1,1,0,0,0,0|2,0,0]=4 4453 B12R1.78 C=Cc1cc(c(cn1)CO)OC 271570a_100011290941_100010714672 [1,1,0,0,0,0|1,0,0]=3 4454 B12R1.78 C=Cc1cc(c(nn1)OC)OC 271570a_100011290941_200000095610 [1,1,0,0,0,0|2,0,0]=4 4455 B12R1.78 C=Cc1ccc(c(c1)C#N)OC 271570a_100011290941_100000188252 [1,1,0,0,0,0|2,0,0]=4 4456 B12R1.78 C=Cc1ccc(c(c1)C=O)OC 271570a_100011290941_100000170026 [1,1,0,0,0,0|2,0,0]=4 4457 B12R1.78 C=Cc1ccc(c(c1)CC)C=O 271570a_100011290941_100010209654 [1,1,0,0,0,0|1,0,1]=4 4458 B12R1.78 C=Cc1ccc(c(c1)CC)NN 271570a_100011290941_100000700371 [1,1,0,0,0,0|2,0,0]=4 4459 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [1,1,0,0,0,0|1,0,0]=3 4460 B12R1.78 C=Cc1ccc(c(c1)CN)OC 271570a_100011290941_100000690498 [1,1,0,0,0,0|2,0,0]=4 4461 B12R1.78 C=Cc1ccc(c(c1)CO)CO 271570a_100011290941_100000719600 [1,1,0,0,0,0|2,0,0]=4 4462 B12R1.78 C=Cc1ccc(c(c1)CO)OC 271570a_100011290941_100000204679 [1,1,0,0,0,0|2,0,0]=4 4463 B12R1.78 C=Cc1ccc(c(c1)NC)C#N 271570a_100011290941_200012356631 [1,1,0,0,0,0|2,0,0]=4 4464 B12R1.78 C=Cc1ccc(c(c1)OC)C#N 271570a_100011290941_100000694671 [1,1,0,0,0,0|1,0,0]=3 4465 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [1,1,0,0,0,0|0,0,1]=3 4466 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [1,1,0,0,0,0|1,0,0]=3 4467 B12R1.78 C=Cc1ccc(c(c1)OC)CO 271570a_100011290941_100011277633 [1,1,0,0,0,0|0,0,0]=2 4468 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [1,1,0,0,0,0|0,0,0]=2 4469 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [1,1,0,0,0,0|0,0,0]=2 4470 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [1,1,0,0,0,0|0,0,0]=2 4471 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [1,1,0,0,0,0|0,1,0]=3 4472 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [1,1,0,0,0,0|0,1,0]=3 4473 B12R1.78 C=Cc1ccc(c(n1)OC)C#N 271570a_100011290941_100000708423 [1,1,0,0,0,0|2,0,0]=4 4474 B12R1.78 C=Cc1ccc(c(n1)OC)C=O 271570a_100011290941_100009864722 [1,1,0,0,0,0|1,0,1]=4 4475 B12R1.78 C=Cc1ccc(c(n1)OC)CN 271570a_100011290941_100015687481 [1,1,0,0,0,0|2,0,0]=4 4476 B12R1.78 C=Cc1ccc(c(n1)OC)CO 271570a_100011290941_100010988397 [1,1,0,0,0,0|1,0,0]=3 4477 B12R1.78 C=Cc1ccc(c(n1)OC)OC 271570a_100011290941_100010214848 [1,1,0,0,0,0|1,0,0]=3 4478 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [1,1,0,0,0,0|2,0,0]=4 4479 B12R1.78 C=Cc1ccc(cc1OC)CC 271570a_100011290941_200010710389 [1,1,0,0,0,0|1,0,1]=4 4480 B12R1.78 C=Cc1ccc(cc1OC)OC 271570a_100011290941_100000750026 [1,1,0,0,0,0|2,0,0]=4 4481 B12R1.78 C=Cc1cnc(c(c1)OC)C#N 271570a_100011290941_100000719880 [1,1,0,0,0,0|2,0,0]=4 4482 B12R1.78 C=Cc1cnc(c(c1)OC)C=O 271570a_100011290941_100010246152 [1,1,0,0,0,0|1,0,1]=4 4483 B12R1.78 C=Cc1cnc(c(c1)OC)CO 271570a_100011290941_200010246159 [1,1,0,0,0,0|1,0,0]=3 4484 B12R1.78 C=Cc1cnc(c(c1)OC)OC 271570a_100011290941_100010234541 [1,1,0,0,0,0|1,0,0]=3 4485 B12R1.78 C=Cc1cnc(c(n1)OC)OC 271570a_100011290941_100010132954 [1,1,0,0,0,0|2,0,0]=4 4486 B12R1.78 C=Cc1ncc(c(n1)OC)CO 271570a_100011290941_200011024631 [1,1,0,0,0,0|2,0,0]=4 4487 B12R1.78 C=Cc1ncc(c(n1)OC)OC 271570a_100011290941_100010280452 [1,1,0,0,0,0|2,0,0]=4 4488 B12R1.78 CCc1cc(ccc1OC)SC 62a_200000210301_200010179862 [1,1,0,0,0,0|2,0,0]=4 4489 B12R1.78 CCc1cc(ccc1OC)SC 62a_200010179862_200000210301 [1,1,0,0,0,0|2,0,0]=4 4490 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200010179862_200025704644 [1,1,0,0,0,0|2,0,0]=4 4491 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200010179862 [1,1,0,0,0,0|2,0,0]=4 4492 B12R1.78 CCc1ccc(c(c1)NC)OC 2230a_100012035449_200000210301 [1,1,0,0,0,0|1,0,1]=4 4493 B12R1.78 CCc1ccc(c(c1)NC)OC 34a_100012035449_200000210301 [1,1,0,0,0,0|1,0,1]=4 4494 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 2230a_100012035449_200025704644 [1,1,0,0,0,0|1,0,1]=4 4495 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 34a_100012035449_200025704644 [1,1,0,0,0,0|1,0,1]=4 4496 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [1,1,0,0,0,0|0,0,1]=3 4497 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [1,1,0,0,0,0|0,0,1]=3 4498 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [1,1,0,0,0,0|0,0,1]=3 4499 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [1,1,0,0,0,0|0,0,1]=3 4500 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [1,1,0,0,0,0|0,0,1]=3 4501 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [1,1,0,0,0,0|0,0,1]=3 4502 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200000210301_200010710389 [1,1,0,0,0,0|0,1,1]=4 4503 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200010710389_200000210301 [1,1,0,0,0,0|0,1,1]=4 4504 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200010710389_200025704644 [1,1,0,0,0,0|0,1,1]=4 4505 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_200010710389 [1,1,0,0,0,0|0,1,1]=4 4506 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [1,1,0,0,0,0|0,0,1]=3 4507 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [1,1,0,0,0,0|0,0,1]=3 4508 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_100010062400_200000210301 [1,1,0,0,0,0|0,1,1]=4 4509 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_200000210301_100010062400 [1,1,0,0,0,0|0,1,1]=4 4510 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_100010062400_200025704644 [1,1,0,0,0,0|0,1,1]=4 4511 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100010062400 [1,1,0,0,0,0|0,1,1]=4 4512 B12R1.78 CCc1ccc(cc1OC)SC 62a_200000210301_200010710398 [1,1,0,0,0,0|2,0,0]=4 4513 B12R1.78 CCc1ccc(cc1OC)SC 62a_200010710398_200000210301 [1,1,0,0,0,0|2,0,0]=4 4514 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200010710398_200025704644 [1,1,0,0,0,0|2,0,0]=4 4515 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200025704644_200010710398 [1,1,0,0,0,0|2,0,0]=4 4516 B12R1.78 CNc1cc(ccc1CO)OC 34a_100011998734_200000210301 [1,1,0,0,0,0|2,0,0]=4 4517 B12R1.78 CNc1cc(ccc1OC)OC 2230a_100000184736_200000210301 [1,1,0,0,0,0|2,0,0]=4 4518 B12R1.78 CNc1cc(ccc1OC)OC 34a_100000184736_200000210301 [1,1,0,0,0,0|2,0,0]=4 4519 B12R1.78 CNc1ccc(c(c1)OC)C#N 34a_100011999456_200000210301 [1,1,0,0,0,0|2,0,0]=4 4520 B12R1.78 CNc1ccc(c(c1)OC)CO 34a_100012183141_200000210301 [1,1,0,0,0,0|1,0,0]=3 4521 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [1,1,0,0,0,0|1,0,0]=3 4522 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_114948341033_200000210301 [1,1,0,0,0,0|1,1,0]=4 4523 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_200000210301_114948341033 [1,1,0,0,0,0|1,1,0]=4 4524 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_114948341033_200025704644 [1,1,0,0,0,0|1,1,0]=4 4525 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_200025704644_114948341033 [1,1,0,0,0,0|1,1,0]=4 4526 B12R1.78 CNc1ccc(cc1OC)OC 2230a_100000211191_200000210301 [1,1,0,0,0,0|2,0,0]=4 4527 B12R1.78 CNc1ccc(cc1OC)OC 34a_100000211191_200000210301 [1,1,0,0,0,0|2,0,0]=4 4528 B12R1.78 CNc1ccc(cc1OC)SC 2230a_100000766855_200000210301 [1,1,0,0,0,0|2,0,0]=4 4529 B12R1.78 CNc1ccc(cc1OC)SC 34a_100000766855_200000210301 [1,1,0,0,0,0|2,0,0]=4 4530 B12R1.78 COc1cc(ccc1C#N)N[13CH3] 34a_100011999456_200025704644 [1,1,0,0,0,0|2,0,0]=4 4531 B12R1.78 COc1cc(ccc1C#N)SC 62a_200000210301_100000694671 [1,1,0,0,0,0|2,0,0]=4 4532 B12R1.78 COc1cc(ccc1C#N)S[13CH3] 62a_200025704644_100000694671 [1,1,0,0,0,0|2,0,0]=4 4533 B12R1.78 COc1cc(ccc1C=O)SC 62a_100000697075_200000210301 [1,1,0,0,0,0|1,0,1]=4 4534 B12R1.78 COc1cc(ccc1C=O)SC 62a_200000210301_100010290300 [1,1,0,0,0,0|1,0,1]=4 4535 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_100000697075_200025704644 [1,1,0,0,0,0|1,0,1]=4 4536 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100010290300 [1,1,0,0,0,0|1,0,1]=4 4537 B12R1.78 COc1cc(ccc1CO)CO 34a_200010669990_200000210301 [1,1,0,0,0,0|1,0,1]=4 4538 B12R1.78 COc1cc(ccc1CO)N[13CH3] 34a_100012183141_200025704644 [1,1,0,0,0,0|1,0,0]=3 4539 B12R1.78 COc1cc(ccc1CO)O[13CH3] 34a_200000116926_200025704644 [1,1,0,0,0,0|1,0,0]=3 4540 B12R1.78 COc1cc(ccc1CO)SC 62a_100011277633_200000210301 [1,1,0,0,0,0|1,0,0]=3 4541 B12R1.78 COc1cc(ccc1CO)SC 62a_200000210301_100011277633 [1,1,0,0,0,0|1,0,0]=3 4542 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_100011277633_200025704644 [1,1,0,0,0,0|1,0,0]=3 4543 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_200025704644_100011277633 [1,1,0,0,0,0|1,0,0]=3 4544 B12R1.78 COc1cc(ccc1N[13CH3])SC 2230a_100000766855_200025704644 [1,1,0,0,0,0|2,0,0]=4 4545 B12R1.78 COc1cc(ccc1N[13CH3])SC 34a_100000766855_200025704644 [1,1,0,0,0,0|2,0,0]=4 4546 B12R1.78 COc1cc(ccc1O[13CH3])C#N 34a_100000184589_200025704644 [1,1,0,0,0,0|1,0,1]=4 4547 B12R1.78 COc1cc(ccc1O[13CH3])C#N 7a_100000184589_200025704644 [1,1,0,0,0,0|1,0,1]=4 4548 B12R1.78 COc1cc(ccc1O[13CH3])CN 34a_100000185554_200025704644 [1,1,0,0,0,0|1,0,1]=4 4549 B12R1.78 COc1cc(ccc1SC)C=O 62a_100010244714_200000210301 [1,1,0,0,0,0|1,1,0]=4 4550 B12R1.78 COc1cc(ccc1SC)C=O 62a_200000210301_100010244714 [1,1,0,0,0,0|1,1,0]=4 4551 B12R1.78 COc1cc(ccc1SC)SC 62a_200011001119_200000210301 [1,1,0,0,0,0|1,1,0]=4 4552 B12R1.78 COc1cc(ccc1SC)S[13CH3] 62a_200011001119_200025704644 [1,1,0,0,0,0|1,1,0]=4 4553 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_100010244714_200025704644 [1,1,0,0,0,0|1,1,0]=4 4554 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_200025704644_100010244714 [1,1,0,0,0,0|1,1,0]=4 4555 B12R1.78 COc1cc(cnc1CO)SC 62a_200000210301_200010246159 [1,1,0,0,0,0|2,0,0]=4 4556 B12R1.78 COc1cc(cnc1CO)SC 62a_200010246159_200000210301 [1,1,0,0,0,0|2,0,0]=4 4557 B12R1.78 COc1cc(cnc1CO)S[13CH3] 62a_200010246159_200025704644 [1,1,0,0,0,0|2,0,0]=4 4558 B12R1.78 COc1cc(cnc1CO)S[13CH3] 62a_200025704644_200010246159 [1,1,0,0,0,0|2,0,0]=4 4559 B12R1.78 COc1cc(cnc1OC)SC 62a_200000210301_100010234541 [1,1,0,0,0,0|2,0,0]=4 4560 B12R1.78 COc1cc(cnc1OC)S[13CH3] 62a_200025704644_100010234541 [1,1,0,0,0,0|2,0,0]=4 4561 B12R1.78 COc1cc(ncc1CO)SC 62a_100010714672_200000210301 [1,1,0,0,0,0|2,0,0]=4 4562 B12R1.78 COc1cc(ncc1CO)SC 62a_200000210301_100010714672 [1,1,0,0,0,0|2,0,0]=4 4563 B12R1.78 COc1cc(ncc1CO)S[13CH3] 62a_100010714672_200025704644 [1,1,0,0,0,0|2,0,0]=4 4564 B12R1.78 COc1cc(ncc1CO)S[13CH3] 62a_200025704644_100010714672 [1,1,0,0,0,0|2,0,0]=4 4565 B12R1.78 COc1ccc(c(c1)N[13CH3])CO 34a_100011998734_200025704644 [1,1,0,0,0,0|2,0,0]=4 4566 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 2230a_100000184736_200025704644 [1,1,0,0,0,0|2,0,0]=4 4567 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 34a_100000184736_200025704644 [1,1,0,0,0,0|2,0,0]=4 4568 B12R1.78 COc1ccc(c(c1)OC)C#N 34a_100011999188_200000210301 [1,1,0,0,0,0|2,0,0]=4 4569 B12R1.78 COc1ccc(c(c1)OC)C#N 7a_100011999188_200000210301 [1,1,0,0,0,0|2,0,0]=4 4570 B12R1.78 COc1ccc(c(c1)OC)CO 34a_200000116926_200000210301 [1,1,0,0,0,0|1,0,0]=3 4571 B12R1.78 COc1ccc(c(c1)OC)N=O 34a_200010658452_200000210301 [1,1,0,0,0,0|1,0,1]=4 4572 B12R1.78 COc1ccc(c(c1)OC)N=O 7a_200010658452_200000210301 [1,1,0,0,0,0|1,0,1]=4 4573 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 2230a_100000211191_200025704644 [1,1,0,0,0,0|2,0,0]=4 4574 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 34a_100000211191_200025704644 [1,1,0,0,0,0|2,0,0]=4 4575 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [1,1,0,0,0,0|1,0,0]=3 4576 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [1,1,0,0,0,0|1,0,0]=3 4577 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [1,1,0,0,0,0|1,0,0]=3 4578 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [1,1,0,0,0,0|1,0,0]=3 4579 B12R1.78 COc1ccc(c(c1)OC)SC 62a_100000750026_200000210301 [1,1,0,0,0,0|1,1,0]=4 4580 B12R1.78 COc1ccc(c(c1)OC)SC 62a_200000210301_100000750026 [1,1,0,0,0,0|1,1,0]=4 4581 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_100000750026_200025704644 [1,1,0,0,0,0|1,1,0]=4 4582 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100000750026 [1,1,0,0,0,0|1,1,0]=4 4583 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 34a_100011999188_200025704644 [1,1,0,0,0,0|2,0,0]=4 4584 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 7a_100011999188_200025704644 [1,1,0,0,0,0|2,0,0]=4 4585 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 34a_200010658452_200025704644 [1,1,0,0,0,0|1,0,1]=4 4586 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 7a_200010658452_200025704644 [1,1,0,0,0,0|1,0,1]=4 4587 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [1,1,0,0,0,0|1,0,0]=3 4588 B12R1.78 COc1ccc(c(c1)SC)CO 62a_100011982768_200000210301 [1,1,0,0,0,0|1,1,0]=4 4589 B12R1.78 COc1ccc(c(c1)SC)CO 62a_200000210301_100011982768 [1,1,0,0,0,0|1,1,0]=4 4590 B12R1.78 COc1ccc(c(c1)SC)OC 62a_100011215452_200000210301 [1,1,0,0,0,0|1,1,0]=4 4591 B12R1.78 COc1ccc(c(c1)SC)OC 62a_200000210301_100011215452 [1,1,0,0,0,0|1,1,0]=4 4592 B12R1.78 COc1ccc(c(c1)S[13CH3])CO 62a_100011982768_200025704644 [1,1,0,0,0,0|1,1,0]=4 4593 B12R1.78 COc1ccc(c(c1)S[13CH3])CO 62a_200025704644_100011982768 [1,1,0,0,0,0|1,1,0]=4 4594 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_100011215452_200025704644 [1,1,0,0,0,0|1,1,0]=4 4595 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100011215452 [1,1,0,0,0,0|1,1,0]=4 4596 B12R1.78 COc1ccc(c(n1)OC)OC 34a_100000085135_200000210301 [1,1,0,0,0,0|2,0,0]=4 4597 B12R1.78 COc1ccc(c(n1)OC)O[13CH3] 34a_100000085135_200025704644 [1,1,0,0,0,0|2,0,0]=4 4598 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000184589_200000210301 [1,1,0,0,0,0|1,0,1]=4 4599 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000188611_200000210301 [1,1,0,0,0,0|1,0,1]=4 4600 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000184589_200000210301 [1,1,0,0,0,0|1,0,1]=4 4601 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000188611_200000210301 [1,1,0,0,0,0|1,0,1]=4 4602 B12R1.78 COc1ccc(cc1OC)CN 34a_100000185554_200000210301 [1,1,0,0,0,0|1,0,1]=4 4603 B12R1.78 COc1ccc(cc1OC)CN 34a_100000740000_200000210301 [1,1,0,0,0,0|1,0,1]=4 4604 B12R1.78 COc1ccc(cc1OC)CO 34a_100011215239_200000210301 [1,1,0,0,0,0|1,0,1]=4 4605 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [1,1,0,0,0,0|1,0,0]=3 4606 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [1,1,0,0,0,0|1,0,0]=3 4607 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [1,1,0,0,0,0|1,0,0]=3 4608 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [1,1,0,0,0,0|1,0,0]=3 4609 B12R1.78 COc1ccc(cc1O[13CH3])C#N 34a_100000188611_200025704644 [1,1,0,0,0,0|1,0,1]=4 4610 B12R1.78 COc1ccc(cc1O[13CH3])C#N 7a_100000188611_200025704644 [1,1,0,0,0,0|1,0,1]=4 4611 B12R1.78 COc1ccc(cc1O[13CH3])CN 34a_100000740000_200025704644 [1,1,0,0,0,0|1,0,1]=4 4612 B12R1.78 COc1ccc(cc1O[13CH3])CO 34a_100011215239_200025704644 [1,1,0,0,0,0|1,0,1]=4 4613 B12R1.78 COc1ccc(cc1SC)C=O 62a_100000173361_200000210301 [1,1,0,0,0,0|1,1,0]=4 4614 B12R1.78 COc1ccc(cc1SC)C=O 62a_200000210301_100000173361 [1,1,0,0,0,0|1,1,0]=4 4615 B12R1.78 COc1ccc(cc1SC)SC 62a_200009892704_200000210301 [1,1,0,0,0,0|1,1,0]=4 4616 B12R1.78 COc1ccc(cc1SC)S[13CH3] 62a_200009892704_200025704644 [1,1,0,0,0,0|1,1,0]=4 4617 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_100000173361_200025704644 [1,1,0,0,0,0|1,1,0]=4 4618 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173361 [1,1,0,0,0,0|1,1,0]=4 4619 B12R1.78 COc1ccc(nc1OC)SC 62a_200000210301_100010214848 [1,1,0,0,0,0|2,0,0]=4 4620 B12R1.78 COc1ccc(nc1OC)S[13CH3] 62a_200025704644_100010214848 [1,1,0,0,0,0|2,0,0]=4 4621 B12R1.78 COc1nc(ccc1CO)SC 62a_100010988397_200000210301 [1,1,0,0,0,0|2,0,0]=4 4622 B12R1.78 COc1nc(ccc1CO)SC 62a_200000210301_100010988397 [1,1,0,0,0,0|2,0,0]=4 4623 B12R1.78 COc1nc(ccc1CO)S[13CH3] 62a_100010988397_200025704644 [1,1,0,0,0,0|2,0,0]=4 4624 B12R1.78 COc1nc(ccc1CO)S[13CH3] 62a_200025704644_100010988397 [1,1,0,0,0,0|2,0,0]=4 4625 B12R1.78 [13CH3]Oc1cc(ccc1CO)CO 34a_200010669990_200025704644 [1,1,0,0,0,0|1,0,1]=4 4626 B12R1.300 C=Cc1cc(c(c(c1)C#N)O)C 271570a_100011290941_100010195408 [1,1,0,0,0,0|2,0,0]=4 4627 B12R1.300 C=Cc1cc(c(c(c1)C=O)O)F 271570a_100011290941_100011217654 [1,1,0,0,0,0|2,0,0]=4 4628 B12R1.300 C=Cc1cc(c(c(c1)CC)N)C 271570a_100011290941_200000186424 [1,1,0,0,0,0|2,0,0]=4 4629 B12R1.300 C=Cc1cc(c(c(c1)CC)O)C 271570a_100011290941_100010659108 [1,1,0,0,0,0|1,0,0]=3 4630 B12R1.300 C=Cc1cc(c(c(c1)OC)F)C 271570a_100011290941_100010271686 [1,1,0,0,0,0|1,0,0]=3 4631 B12R1.300 C=Cc1cc(c(c(c1)OC)F)F 271570a_100011290941_100011218012 [1,1,0,0,0,0|1,0,0]=3 4632 B12R1.300 C=Cc1cc(c(c(c1)OC)F)O 271570a_100011290941_200015524394 [1,1,0,0,0,0|1,0,0]=3 4633 B12R1.300 C=Cc1cc(c(c(c1)OC)N)C 271570a_100011290941_100000741850 [1,1,0,0,0,0|1,0,0]=3 4634 B12R1.300 CCc1cc(cc(c1O)C)SC 62a_200000210301_100010659108 [1,1,0,0,0,0|2,0,0]=4 4635 B12R1.300 CCc1cc(cc(c1O)C)S[13CH3] 62a_200025704644_100010659108 [1,1,0,0,0,0|2,0,0]=4 4636 B12R1.300 CNc1cc(c(c(c1)OC)Cl)Br 2230a_100010131419_200000210301 [1,1,0,0,0,0|2,0,0]=4 4637 B12R1.300 CNc1cc(c(c(c1)OC)Cl)Br 34a_100010131419_200000210301 [1,1,0,0,0,0|2,0,0]=4 4638 B12R1.300 CNc1cc(c(c(c1)OC)Cl)Br 7a_100010131419_200000210301 [1,1,0,0,0,0|2,0,0]=4 4639 B12R1.300 CNc1cc(cc(c1O)Br)OC 34a_200010008348_200000210301 [1,1,0,0,0,0|2,0,0]=4 4640 B12R1.300 COc1cc(c(c(c1)N[13CH3])O)Br 34a_200010008348_200025704644 [1,1,0,0,0,0|2,0,0]=4 4641 B12R1.300 COc1cc(c(c(c1)OC)O)F 271570a_203496583355_200009812871 [1,1,0,0,0,0|1,0,0]=3 4642 B12R1.300 COc1cc(c(c(c1)SC)O)N 62a_200000210301_200010008348 [1,1,0,0,0,0|1,1,0]=4 4643 B12R1.300 COc1cc(c(c(c1)S[13CH3])O)N 62a_200025704644_200010008348 [1,1,0,0,0,0|1,1,0]=4 4644 B12R1.300 COc1cc(cc(c1Cl)Br)N[13CH3] 2230a_100010131419_200025704644 [1,1,0,0,0,0|2,0,0]=4 4645 B12R1.300 COc1cc(cc(c1Cl)Br)N[13CH3] 34a_100010131419_200025704644 [1,1,0,0,0,0|2,0,0]=4 4646 B12R1.300 COc1cc(cc(c1Cl)Br)N[13CH3] 7a_100010131419_200025704644 [1,1,0,0,0,0|2,0,0]=4 4647 B12R1.300 COc1cc(cc(c1F)C)SC 62a_100010271686_200000210301 [1,1,0,0,0,0|2,0,0]=4 4648 B12R1.300 COc1cc(cc(c1F)C)SC 62a_200000210301_100010271686 [1,1,0,0,0,0|2,0,0]=4 4649 B12R1.300 COc1cc(cc(c1F)C)S[13CH3] 62a_100010271686_200025704644 [1,1,0,0,0,0|2,0,0]=4 4650 B12R1.300 COc1cc(cc(c1F)C)S[13CH3] 62a_200025704644_100010271686 [1,1,0,0,0,0|2,0,0]=4 4651 B12R1.300 COc1cc(cc(c1F)F)SC 62a_100011218012_200000210301 [1,1,0,0,0,0|2,0,0]=4 4652 B12R1.300 COc1cc(cc(c1F)F)SC 62a_200000210301_100011218012 [1,1,0,0,0,0|2,0,0]=4 4653 B12R1.300 COc1cc(cc(c1F)F)S[13CH3] 62a_100011218012_200025704644 [1,1,0,0,0,0|2,0,0]=4 4654 B12R1.300 COc1cc(cc(c1F)F)S[13CH3] 62a_200025704644_100011218012 [1,1,0,0,0,0|2,0,0]=4 4655 B12R1.300 COc1cc(cc(c1F)O)SC 62a_200000210301_200015524394 [1,1,0,0,0,0|2,0,0]=4 4656 B12R1.300 COc1cc(cc(c1F)O)SC 62a_200015524394_200000210301 [1,1,0,0,0,0|2,0,0]=4 4657 B12R1.300 COc1cc(cc(c1F)O)S[13CH3] 62a_200015524394_200025704644 [1,1,0,0,0,0|2,0,0]=4 4658 B12R1.300 COc1cc(cc(c1F)O)S[13CH3] 62a_200025704644_200015524394 [1,1,0,0,0,0|2,0,0]=4 4659 B12R1.300 COc1cc(cc(c1N)C)SC 62a_100000741850_200000210301 [1,1,0,0,0,0|2,0,0]=4 4660 B12R1.300 COc1cc(cc(c1N)C)SC 62a_200000210301_100000741850 [1,1,0,0,0,0|2,0,0]=4 4661 B12R1.300 COc1cc(cc(c1N)C)S[13CH3] 62a_100000741850_200025704644 [1,1,0,0,0,0|2,0,0]=4 4662 B12R1.300 COc1cc(cc(c1N)C)S[13CH3] 62a_200025704644_100000741850 [1,1,0,0,0,0|2,0,0]=4 4663 B12R1.300 COc1cc(cc(c1O)O)C#N 271570a_203496583355_100000188612 [1,1,0,0,0,0|1,0,1]=4 4664 B12R1.300 COc1cc(cc(c1O)O)C=O 271570a_203496583355_100000184534 [1,1,0,0,0,0|1,0,0]=3 4665 B12R1.300 COc1cc(cc(c1O)O)CO 271570a_203496583355_200000022573 [1,1,0,0,0,0|1,0,1]=4 4666 B12R1.300 COc1cc(cc(c1O)O)SC 62a_200000210301_200159242197 [1,1,0,0,0,0|1,0,0]=3 4667 B12R1.300 COc1cc(cc(c1O)O)S[13CH3] 62a_200025704644_200159242197 [1,1,0,0,0,0|1,0,0]=3 4668 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_100010295671_200000210301 [1,1,0,0,0,0|1,1,0]=4 4669 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_200000210301_100010295671 [1,1,0,0,0,0|1,1,0]=4 4670 B12R1.300 CSc1cc(cc(c1O)O)C=O 62a_200000210301_100000687232 [1,1,0,0,0,0|1,1,0]=4 4671 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_100010295671_200025704644 [1,1,0,0,0,0|1,1,0]=4 4672 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_200025704644_100010295671 [1,1,0,0,0,0|1,1,0]=4 4673 B12R1.300 [13CH3]Sc1cc(cc(c1O)O)C=O 62a_200025704644_100000687232 [1,1,0,0,0,0|1,1,0]=4 4674 B12R1.449 C=Cc1cc(c(cc1Br)Br)OC 271570a_100011290941_200014006352 [1,1,0,0,0,0|1,0,0]=3 4675 B12R1.449 C=Cc1cc(c(cc1C)F)OC 271570a_100011290941_100011009880 [1,1,0,0,0,0|1,0,0]=3 4676 B12R1.449 C=Cc1cc(c(cc1C)N)OC 271570a_100011290941_100010141321 [1,1,0,0,0,0|1,0,0]=3 4677 B12R1.449 C=Cc1cc(c(cc1F)Cl)OC 271570a_100011290941_100010739614 [1,1,0,0,0,0|1,0,0]=3 4678 B12R1.449 C=Cc1cc(c(cc1F)F)OC 271570a_100011290941_200015541288 [1,1,0,0,0,0|1,0,0]=3 4679 B12R1.449 C=Cc1cc(c(cc1F)F)SC 62a_100016015529_200000210301 [1,1,0,0,0,0|1,1,0]=4 4680 B12R1.449 C=Cc1cc(c(cc1F)F)SC 62a_200000210301_100016015529 [1,1,0,0,0,0|1,1,0]=4 4681 B12R1.449 C=Cc1cc(c(cc1F)F)S[13CH3] 62a_100016015529_200025704644 [1,1,0,0,0,0|1,1,0]=4 4682 B12R1.449 C=Cc1cc(c(cc1F)F)S[13CH3] 62a_200025704644_100016015529 [1,1,0,0,0,0|1,1,0]=4 4683 B12R1.449 C=Cc1cc(c(cc1F)N)NC 271570a_100011290941_100013631271 [1,1,0,0,0,0|2,0,0]=4 4684 B12R1.449 C=Cc1cc(c(cc1F)N)OC 271570a_100011290941_100012766639 [1,1,0,0,0,0|1,0,0]=3 4685 B12R1.449 C=Cc1cc(c(cc1F)O)C=O 271570a_100011290941_100010175118 [1,1,0,0,0,0|2,0,0]=4 4686 B12R1.449 C=Cc1cc(c(cc1F)O)OC 271570a_100011290941_100010189133 [1,1,0,0,0,0|0,0,0]=2 4687 B12R1.449 C=Cc1cc(c(cc1N)C)OC 271570a_100011290941_200010584344 [1,1,0,0,0,0|1,0,0]=3 4688 B12R1.449 C=Cc1cc(c(cc1N)F)OC 271570a_100011290941_100010365326 [1,1,0,0,0,0|1,0,0]=3 4689 B12R1.449 C=Cc1cc(c(cc1O)O)C=O 271570a_100011290941_200010132312 [1,1,0,0,0,0|2,0,0]=4 4690 B12R1.449 C=Cc1cc(c(nc1C)N)OC 271570a_100011290941_200010892190 [1,1,0,0,0,0|2,0,0]=4 4691 B12R1.449 CCc1cc(c(cc1Br)F)OC 34a_100011156610_200000210301 [1,1,0,0,0,0|1,0,1]=4 4692 B12R1.449 CCc1cc(c(cc1Br)F)OC 7a_100011156610_200000210301 [1,1,0,0,0,0|1,0,1]=4 4693 B12R1.449 CCc1cc(c(cc1Br)F)O[13CH3] 34a_100011156610_200025704644 [1,1,0,0,0,0|1,0,1]=4 4694 B12R1.449 CCc1cc(c(cc1Br)F)O[13CH3] 7a_100011156610_200025704644 [1,1,0,0,0,0|1,0,1]=4 4695 B12R1.449 CNc1cc(c(cc1Br)Br)OC 34a_100000718616_200000210301 [1,1,0,0,0,0|2,0,0]=4 4696 B12R1.449 CNc1cc(c(cc1Br)Br)OC 7a_100000718616_200000210301 [1,1,0,0,0,0|2,0,0]=4 4697 B12R1.449 CNc1cc(c(cc1Br)C)OC 34a_100010244135_200000210301 [1,1,0,0,0,0|2,0,0]=4 4698 B12R1.449 CNc1cc(c(cc1Br)C)OC 7a_100010244135_200000210301 [1,1,0,0,0,0|2,0,0]=4 4699 B12R1.449 CNc1cc(c(cc1Br)Cl)OC 34a_100013022580_200000210301 [1,1,0,0,0,0|2,0,0]=4 4700 B12R1.449 CNc1cc(c(cc1Br)Cl)OC 7a_100013022580_200000210301 [1,1,0,0,0,0|2,0,0]=4 4701 B12R1.449 CNc1cc(c(cc1Br)F)OC 34a_100010208193_200000210301 [1,1,0,0,0,0|2,0,0]=4 4702 B12R1.449 CNc1cc(c(cc1Br)F)OC 7a_100010208193_200000210301 [1,1,0,0,0,0|2,0,0]=4 4703 B12R1.449 CNc1cc(c(cc1C)Br)OC 34a_100010232211_200000210301 [1,1,0,0,0,0|2,0,0]=4 4704 B12R1.449 CNc1cc(c(cc1C)Br)OC 7a_100010232211_200000210301 [1,1,0,0,0,0|2,0,0]=4 4705 B12R1.449 CNc1cc(c(cc1C)Cl)OC 2230a_100009858536_200000210301 [1,1,0,0,0,0|2,0,0]=4 4706 B12R1.449 CNc1cc(c(cc1C)Cl)OC 34a_100009858536_200000210301 [1,1,0,0,0,0|2,0,0]=4 4707 B12R1.449 CNc1cc(c(cc1C)Cl)OC 7a_100009858536_200000210301 [1,1,0,0,0,0|2,0,0]=4 4708 B12R1.449 CNc1cc(c(cc1Cl)Br)OC 34a_100012361290_200000210301 [1,1,0,0,0,0|2,0,0]=4 4709 B12R1.449 CNc1cc(c(cc1Cl)Br)OC 7a_100012361290_200000210301 [1,1,0,0,0,0|2,0,0]=4 4710 B12R1.449 CNc1cc(c(cc1Cl)Cl)OC 34a_100011830341_200000210301 [1,1,0,0,0,0|2,0,0]=4 4711 B12R1.449 CNc1cc(c(cc1Cl)F)OC 34a_100009958774_200000210301 [1,1,0,0,0,0|2,0,0]=4 4712 B12R1.449 CNc1cc(c(cc1Cl)F)OC 7a_100009958774_200000210301 [1,1,0,0,0,0|2,0,0]=4 4713 B12R1.449 CNc1cc(c(cc1F)Cl)OC 34a_100009872666_200000210301 [1,1,0,0,0,0|2,0,0]=4 4714 B12R1.449 CNc1cc(c(cc1F)Cl)OC 7a_100009872666_200000210301 [1,1,0,0,0,0|2,0,0]=4 4715 B12R1.449 COc1cc(c(cc1Br)Br)N[13CH3] 34a_100000718616_200025704644 [1,1,0,0,0,0|2,0,0]=4 4716 B12R1.449 COc1cc(c(cc1Br)Br)N[13CH3] 7a_100000718616_200025704644 [1,1,0,0,0,0|2,0,0]=4 4717 B12R1.449 COc1cc(c(cc1Br)Br)SC 62a_200000210301_200014006352 [1,1,0,0,0,0|2,0,0]=4 4718 B12R1.449 COc1cc(c(cc1Br)Br)SC 62a_200014006352_200000210301 [1,1,0,0,0,0|2,0,0]=4 4719 B12R1.449 COc1cc(c(cc1Br)Br)S[13CH3] 62a_200014006352_200025704644 [1,1,0,0,0,0|2,0,0]=4 4720 B12R1.449 COc1cc(c(cc1Br)Br)S[13CH3] 62a_200025704644_200014006352 [1,1,0,0,0,0|2,0,0]=4 4721 B12R1.449 COc1cc(c(cc1Br)C)N[13CH3] 34a_100010232211_200025704644 [1,1,0,0,0,0|2,0,0]=4 4722 B12R1.449 COc1cc(c(cc1Br)C)N[13CH3] 7a_100010232211_200025704644 [1,1,0,0,0,0|2,0,0]=4 4723 B12R1.449 COc1cc(c(cc1Br)Cl)N[13CH3] 34a_100012361290_200025704644 [1,1,0,0,0,0|2,0,0]=4 4724 B12R1.449 COc1cc(c(cc1Br)Cl)N[13CH3] 7a_100012361290_200025704644 [1,1,0,0,0,0|2,0,0]=4 4725 B12R1.449 COc1cc(c(cc1C)Br)N[13CH3] 34a_100010244135_200025704644 [1,1,0,0,0,0|2,0,0]=4 4726 B12R1.449 COc1cc(c(cc1C)Br)N[13CH3] 7a_100010244135_200025704644 [1,1,0,0,0,0|2,0,0]=4 4727 B12R1.449 COc1cc(c(cc1C)N)SC 62a_200000210301_200010584344 [1,1,0,0,0,0|2,0,0]=4 4728 B12R1.449 COc1cc(c(cc1C)N)SC 62a_200010584344_200000210301 [1,1,0,0,0,0|2,0,0]=4 4729 B12R1.449 COc1cc(c(cc1C)N)S[13CH3] 62a_200010584344_200025704644 [1,1,0,0,0,0|2,0,0]=4 4730 B12R1.449 COc1cc(c(cc1C)N)S[13CH3] 62a_200025704644_200010584344 [1,1,0,0,0,0|2,0,0]=4 4731 B12R1.449 COc1cc(c(cc1Cl)Br)N[13CH3] 34a_100013022580_200025704644 [1,1,0,0,0,0|2,0,0]=4 4732 B12R1.449 COc1cc(c(cc1Cl)Br)N[13CH3] 7a_100013022580_200025704644 [1,1,0,0,0,0|2,0,0]=4 4733 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 2230a_100009858536_200025704644 [1,1,0,0,0,0|2,0,0]=4 4734 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 34a_100009858536_200025704644 [1,1,0,0,0,0|2,0,0]=4 4735 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 7a_100009858536_200025704644 [1,1,0,0,0,0|2,0,0]=4 4736 B12R1.449 COc1cc(c(cc1Cl)Cl)N[13CH3] 34a_100011830341_200025704644 [1,1,0,0,0,0|2,0,0]=4 4737 B12R1.449 COc1cc(c(cc1Cl)F)N[13CH3] 34a_100009872666_200025704644 [1,1,0,0,0,0|2,0,0]=4 4738 B12R1.449 COc1cc(c(cc1Cl)F)N[13CH3] 7a_100009872666_200025704644 [1,1,0,0,0,0|2,0,0]=4 4739 B12R1.449 COc1cc(c(cc1Cl)F)SC 62a_100010739614_200000210301 [1,1,0,0,0,0|2,0,0]=4 4740 B12R1.449 COc1cc(c(cc1Cl)F)SC 62a_200000210301_100010739614 [1,1,0,0,0,0|2,0,0]=4 4741 B12R1.449 COc1cc(c(cc1Cl)F)S[13CH3] 62a_100010739614_200025704644 [1,1,0,0,0,0|2,0,0]=4 4742 B12R1.449 COc1cc(c(cc1Cl)F)S[13CH3] 62a_200025704644_100010739614 [1,1,0,0,0,0|2,0,0]=4 4743 B12R1.449 COc1cc(c(cc1F)Br)N[13CH3] 34a_100010208193_200025704644 [1,1,0,0,0,0|2,0,0]=4 4744 B12R1.449 COc1cc(c(cc1F)Br)N[13CH3] 7a_100010208193_200025704644 [1,1,0,0,0,0|2,0,0]=4 4745 B12R1.449 COc1cc(c(cc1F)C)SC 62a_100011009880_200000210301 [1,1,0,0,0,0|2,0,0]=4 4746 B12R1.449 COc1cc(c(cc1F)C)SC 62a_200000210301_100011009880 [1,1,0,0,0,0|2,0,0]=4 4747 B12R1.449 COc1cc(c(cc1F)C)S[13CH3] 62a_100011009880_200025704644 [1,1,0,0,0,0|2,0,0]=4 4748 B12R1.449 COc1cc(c(cc1F)C)S[13CH3] 62a_200025704644_100011009880 [1,1,0,0,0,0|2,0,0]=4 4749 B12R1.449 COc1cc(c(cc1F)Cl)N[13CH3] 34a_100009958774_200025704644 [1,1,0,0,0,0|2,0,0]=4 4750 B12R1.449 COc1cc(c(cc1F)Cl)N[13CH3] 7a_100009958774_200025704644 [1,1,0,0,0,0|2,0,0]=4 4751 B12R1.449 COc1cc(c(cc1F)F)SC 62a_200000210301_200015541288 [1,1,0,0,0,0|2,0,0]=4 4752 B12R1.449 COc1cc(c(cc1F)F)SC 62a_200015541288_200000210301 [1,1,0,0,0,0|2,0,0]=4 4753 B12R1.449 COc1cc(c(cc1F)F)S[13CH3] 62a_200015541288_200025704644 [1,1,0,0,0,0|2,0,0]=4 4754 B12R1.449 COc1cc(c(cc1F)F)S[13CH3] 62a_200025704644_200015541288 [1,1,0,0,0,0|2,0,0]=4 4755 B12R1.449 COc1cc(c(cc1F)N)SC 62a_100010365326_200000210301 [1,1,0,0,0,0|2,0,0]=4 4756 B12R1.449 COc1cc(c(cc1F)N)SC 62a_200000210301_100010365326 [1,1,0,0,0,0|2,0,0]=4 4757 B12R1.449 COc1cc(c(cc1F)N)S[13CH3] 62a_100010365326_200025704644 [1,1,0,0,0,0|2,0,0]=4 4758 B12R1.449 COc1cc(c(cc1F)N)S[13CH3] 62a_200025704644_100010365326 [1,1,0,0,0,0|2,0,0]=4 4759 B12R1.449 COc1cc(c(cc1F)O)C=O 271570a_203496583355_100010366953 [1,1,0,0,0,0|2,0,0]=4 4760 B12R1.449 COc1cc(c(cc1N)C)SC 62a_100010141321_200000210301 [1,1,0,0,0,0|2,0,0]=4 4761 B12R1.449 COc1cc(c(cc1N)C)SC 62a_200000210301_100010141321 [1,1,0,0,0,0|2,0,0]=4 4762 B12R1.449 COc1cc(c(cc1N)C)S[13CH3] 62a_100010141321_200025704644 [1,1,0,0,0,0|2,0,0]=4 4763 B12R1.449 COc1cc(c(cc1N)C)S[13CH3] 62a_200025704644_100010141321 [1,1,0,0,0,0|2,0,0]=4 4764 B12R1.449 COc1cc(c(cc1N)F)SC 62a_100012766639_200000210301 [1,1,0,0,0,0|2,0,0]=4 4765 B12R1.449 COc1cc(c(cc1N)F)SC 62a_200000210301_100012766639 [1,1,0,0,0,0|2,0,0]=4 4766 B12R1.449 COc1cc(c(cc1N)F)S[13CH3] 62a_100012766639_200025704644 [1,1,0,0,0,0|2,0,0]=4 4767 B12R1.449 COc1cc(c(cc1N)F)S[13CH3] 62a_200025704644_100012766639 [1,1,0,0,0,0|2,0,0]=4 4768 B12R1.449 COc1cc(c(cc1O)F)C=O 271570a_203496583355_100000695681 [1,1,0,0,0,0|1,0,0]=3 4769 B12R1.449 COc1cc(c(cc1O)F)OC 271570a_203496583355_100010141368 [1,1,0,0,0,0|1,0,0]=3 4770 B12R1.449 COc1cc(c(cc1O)F)SC 62a_200000210301_100010189133 [1,1,0,0,0,0|1,0,0]=3 4771 B12R1.449 COc1cc(c(cc1O)F)S[13CH3] 62a_200025704644_100010189133 [1,1,0,0,0,0|1,0,0]=3 4772 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100000741691 [1,1,0,0,0,0|1,0,0]=3 4773 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100010762608 [1,1,0,0,0,0|1,0,0]=3 4774 B12R1.449 COc1nc(c(cc1C)O)OC 271570a_203496583355_100021123867 [1,1,0,0,0,0|2,0,0]=4 4775 B12R1.449 COc1nc(c(cc1O)Br)OC 271570a_203496583355_100025726379 [1,1,0,0,0,0|2,0,0]=4 4776 B12R1.449 CSc1cc(c(cc1O)O)C=O 62a_200000210301_200010132312 [1,1,0,0,0,0|1,1,0]=4 4777 B12R1.449 [13CH3]Sc1cc(c(cc1O)O)C=O 62a_200025704644_200010132312 [1,1,0,0,0,0|1,1,0]=4 4778 B12R1.453 C=C(C)c1cc(ccc1O)C=O 271570a_100000694244_100000184552 [1,1,0,0,0,0|2,0,0]=4 4779 B12R1.453 C=C(C)c1cc(ccc1O)CC 271570a_100000694244_100012339963 [1,1,0,0,0,0|1,0,1]=4 4780 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [1,1,0,0,0,0|2,0,0]=4 4781 B12R1.453 C=Cc1ccc(c(c1)B(O)O)O 271570a_100011290941_200009814749 [1,1,0,0,0,0|2,0,0]=4 4782 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)C 271570a_100011290941_100012706819 [1,1,0,0,0,0|2,0,0]=4 4783 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100011290941_100010712560 [1,1,0,0,0,0|2,0,0]=4 4784 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)F 271570a_100011290941_100000689017 [1,1,0,0,0,0|2,0,0]=4 4785 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)N 271570a_100011290941_100000695420 [1,1,0,0,0,0|2,0,0]=4 4786 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [1,1,0,0,0,0|1,0,0]=3 4787 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)O 271570a_100011290941_100000192807 [1,1,0,0,0,0|2,0,0]=4 4788 B12R1.453 C=Cc1ccc(c(c1)C(C)C)F 271570a_100011290941_200053017515 [1,1,0,0,0,0|2,0,0]=4 4789 B12R1.453 C=Cc1ccc(c(c1)C(C)C)N 271570a_100011290941_100000694223 [1,1,0,0,0,0|2,0,0]=4 4790 B12R1.453 C=Cc1ccc(c(c1)C(C)C)O 271570a_100011290941_100000691460 [1,1,0,0,0,0|1,0,0]=3 4791 B12R1.453 C=Cc1ccc(c(c1)C(C)O)F 271570a_100011290941_100011943926 [1,1,0,0,0,0|2,0,0]=4 4792 B12R1.453 C=Cc1ccc(c(c1)N(C)C)F 271570a_100011290941_100010288836 [1,1,0,0,0,0|2,0,0]=4 4793 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_100000691460_200025704644 [1,1,0,0,0,0|2,0,0]=4 4794 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000691460 [1,1,0,0,0,0|2,0,0]=4 4795 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [1,1,0,0,0,0|1,0,1]=4 4796 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [1,1,0,0,0,0|1,0,1]=4 4797 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [1,1,0,0,0,0|2,0,0]=4 4798 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [1,1,0,0,0,0|2,0,0]=4 4799 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [1,1,0,0,0,0|2,0,0]=4 4800 B12R1.453 COc1ccc(c(c1)[C@H](C)N)O 271570a_203496583355_200015425320 [1,1,0,0,0,0|2,0,0]=4 4801 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_100000691460_200000210301 [1,1,0,0,0,0|2,0,0]=4 4802 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_200000210301_100000691460 [1,1,0,0,0,0|2,0,0]=4 4803 B12R1.654 C=Cc1ccc(c(c1F)OC)Cl 271570a_100011290941_200135222481 [1,1,0,0,0,0|1,0,0]=3 4804 B12R1.654 C=Cc1ccc(c(c1F)OC)N 271570a_100011290941_100010734149 [1,1,0,0,0,0|1,0,0]=3 4805 B12R1.654 C=Cc1ccc(c(c1F)SC)F 271570a_100011290941_202125771753 [1,1,0,0,0,0|1,1,0]=4 4806 B12R1.654 CNc1ccc(c(c1F)OC)F 34a_100137314619_200000210301 [1,1,0,0,0,0|2,0,0]=4 4807 B12R1.654 COc1c(ccc(c1F)C#N)O 271570a_203496583355_200010764284 [1,1,0,0,0,0|1,0,1]=4 4808 B12R1.654 COc1c(ccc(c1F)C=O)O 271570a_203496583355_200010981996 [1,1,0,0,0,0|1,0,0]=3 4809 B12R1.654 COc1c(ccc(c1F)N[13CH3])F 34a_100137314619_200025704644 [1,1,0,0,0,0|2,0,0]=4 4810 B12R1.654 COc1c(ccc(c1F)O[13CH3])F 34a_100000062073_200025704644 [1,1,0,0,0,0|2,0,0]=4 4811 B12R1.654 COc1c(ccc(c1F)O[13CH3])F 7a_100000062073_200025704644 [1,1,0,0,0,0|2,0,0]=4 4812 B12R1.654 COc1c(ccc(c1F)SC)Cl 62a_200000210301_200135222481 [1,1,0,0,0,0|2,0,0]=4 4813 B12R1.654 COc1c(ccc(c1F)SC)Cl 62a_200135222481_200000210301 [1,1,0,0,0,0|2,0,0]=4 4814 B12R1.654 COc1c(ccc(c1F)SC)N 62a_100010734149_200000210301 [1,1,0,0,0,0|2,0,0]=4 4815 B12R1.654 COc1c(ccc(c1F)SC)N 62a_200000210301_100010734149 [1,1,0,0,0,0|2,0,0]=4 4816 B12R1.654 COc1c(ccc(c1F)S[13CH3])Cl 62a_200025704644_200135222481 [1,1,0,0,0,0|2,0,0]=4 4817 B12R1.654 COc1c(ccc(c1F)S[13CH3])Cl 62a_200135222481_200025704644 [1,1,0,0,0,0|2,0,0]=4 4818 B12R1.654 COc1c(ccc(c1F)S[13CH3])N 62a_100010734149_200025704644 [1,1,0,0,0,0|2,0,0]=4 4819 B12R1.654 COc1c(ccc(c1F)S[13CH3])N 62a_200025704644_100010734149 [1,1,0,0,0,0|2,0,0]=4 4820 B12R1.654 COc1ccc(c(c1Br)OC)Cl 34a_200020794976_200000210301 [1,1,0,0,0,0|2,0,0]=4 4821 B12R1.654 COc1ccc(c(c1Br)OC)Cl 7a_200020794976_200000210301 [1,1,0,0,0,0|2,0,0]=4 4822 B12R1.654 COc1ccc(c(c1Br)O[13CH3])Cl 34a_200020794976_200025704644 [1,1,0,0,0,0|2,0,0]=4 4823 B12R1.654 COc1ccc(c(c1Br)O[13CH3])Cl 7a_200020794976_200025704644 [1,1,0,0,0,0|2,0,0]=4 4824 B12R1.654 COc1ccc(c(c1C)OC)O 271570a_203496583355_100010234078 [1,1,0,0,0,0|1,0,0]=3 4825 B12R1.654 COc1ccc(c(c1Cl)OC)F 34a_200000061507_200000210301 [1,1,0,0,0,0|2,0,0]=4 4826 B12R1.654 COc1ccc(c(c1Cl)OC)F 7a_200000061507_200000210301 [1,1,0,0,0,0|2,0,0]=4 4827 B12R1.654 COc1ccc(c(c1Cl)O[13CH3])F 34a_200000061507_200025704644 [1,1,0,0,0,0|2,0,0]=4 4828 B12R1.654 COc1ccc(c(c1Cl)O[13CH3])F 7a_200000061507_200025704644 [1,1,0,0,0,0|2,0,0]=4 4829 B12R1.654 COc1ccc(c(c1F)OC)F 34a_100000062056_200000210301 [1,1,0,0,0,0|2,0,0]=4 4830 B12R1.654 COc1ccc(c(c1F)OC)F 34a_100000062073_200000210301 [1,1,0,0,0,0|2,0,0]=4 4831 B12R1.654 COc1ccc(c(c1F)OC)F 7a_100000062056_200000210301 [1,1,0,0,0,0|2,0,0]=4 4832 B12R1.654 COc1ccc(c(c1F)OC)F 7a_100000062073_200000210301 [1,1,0,0,0,0|2,0,0]=4 4833 B12R1.654 COc1ccc(c(c1F)OC)O 271570a_203496583355_200010341284 [1,1,0,0,0,0|1,0,0]=3 4834 B12R1.654 COc1ccc(c(c1F)O[13CH3])F 34a_100000062056_200025704644 [1,1,0,0,0,0|2,0,0]=4 4835 B12R1.654 COc1ccc(c(c1F)O[13CH3])F 7a_100000062056_200025704644 [1,1,0,0,0,0|2,0,0]=4 4836 B12R1.654 COc1ccc(c(c1F)SC)O 271570a_203496583355_200011099385 [1,1,0,0,0,0|1,1,0]=4 4837 B12R1.743 COC(=O)c1csc(c1OC)O 271570a_203496583355_100010277438 [0,1,0,0,1,0|2,0,0]=4 4838 B12R1.743 COC(=O)c1scc(c1OC)O 271570a_203496583355_200009814288 [0,1,0,0,1,0|2,0,0]=4 4839 B12R1.63 COC(=O)c1cc(c(s1)OC)O 271570a_203496583355_100134754287 [0,1,0,0,1,0|2,0,0]=4 4840 B14R1.41 CC(=C(C)c1ccc(c(c1)C#N)O)C 271570a_200000049429_100000687585 [0,2,0,0,0,0|2,0,0]=4 4841 B14R1.41 CC(=C(C)c1ccc(c(c1)C=O)O)C 271570a_200000049429_100000186750 [0,2,0,0,0,0|2,0,0]=4 4842 B14R1.41 CC(=C(C)c1ccc(c(c1)CN)O)C 271570a_200000049429_100000730032 [0,2,0,0,0,0|2,0,0]=4 4843 B14R1.41 CC(=C(C)c1ccc(c(c1)CO)O)C 271570a_200000049429_100000184703 [0,2,0,0,0,0|2,0,0]=4 4844 B14R1.41 CCc1cc(ccc1Br)C(=C(C)C)C 271570a_200000049429_100010244631 [0,2,0,0,0,0|2,0,0]=4 4845 B14R1.41 CCc1cc(ccc1F)C(=C(C)C)C 271570a_200000049429_100010244625 [0,2,0,0,0,0|2,0,0]=4 4846 B14R1.41 CCc1cc(ccc1N)C(=C(C)C)C 271570a_200000049429_100000686106 [0,2,0,0,0,0|2,0,0]=4 4847 B14R1.41 CCc1cc(ccc1O)C(=C(C)C)C 271570a_200000049429_100012338938 [0,2,0,0,0,0|1,0,0]=3 4848 B14R1.41 CNc1cc(ccc1C)C(=C(C)C)C 271570a_200000049429_100020629602 [0,2,0,0,0,0|2,0,0]=4 4849 B14R1.41 CNc1cc(ccc1F)C(=C(C)C)C 271570a_200000049429_100011314990 [0,2,0,0,0,0|2,0,0]=4 4850 B14R1.41 CNc1cc(ccc1N)C(=C(C)C)C 271570a_200000049429_100000694363 [0,2,0,0,0,0|2,0,0]=4 4851 B14R1.41 COc1cc(c[nH]c1=O)C(=C(C)C)C 271570a_200000049429_100010125397 [0,2,0,0,0,0|1,0,1]=4 4852 B14R1.41 COc1cc(ccc1Br)C(=C(C)C)C 271570a_200000049429_100012353699 [0,2,0,0,0,0|1,0,0]=3 4853 B14R1.41 COc1cc(ccc1Br)C(=O)C(C)C 1458a_100011934951_100000210206 [0,2,0,0,0,0|1,0,1]=4 4854 B14R1.41 COc1cc(ccc1Br)C(=O)N(C)C 11a_100102631434_100011934951 [0,2,0,0,0,0|2,0,0]=4 4855 B14R1.41 COc1cc(ccc1Br)C(=O)N(C)C 1626a_100102631434_100011934951 [0,2,0,0,0,0|2,0,0]=4 4856 B14R1.41 COc1cc(ccc1Br)C(=O)N(C)C 240690a_100102631434_100011934951 [0,2,0,0,0,0|2,0,0]=4 4857 B14R1.41 COc1cc(ccc1Br)C(=O)N(C)C 527a_100102631434_100011934951 [0,2,0,0,0,0|2,0,0]=4 4858 B14R1.41 COc1cc(ccc1C)C(=C(C)C)C 271570a_200000049429_100011830276 [0,2,0,0,0,0|1,0,0]=3 4859 B14R1.41 COc1cc(ccc1C)C(=O)C(C)C 1458a_100000212341_100000210206 [0,2,0,0,0,0|1,0,1]=4 4860 B14R1.41 COc1cc(ccc1C)C(=O)N(C)C 11a_100102631434_100000212341 [0,2,0,0,0,0|2,0,0]=4 4861 B14R1.41 COc1cc(ccc1C)C(=O)N(C)C 1626a_100102631434_100000212341 [0,2,0,0,0,0|2,0,0]=4 4862 B14R1.41 COc1cc(ccc1C)C(=O)N(C)C 240690a_100102631434_100000212341 [0,2,0,0,0,0|2,0,0]=4 4863 B14R1.41 COc1cc(ccc1C)C(=O)N(C)C 527a_100102631434_100000212341 [0,2,0,0,0,0|2,0,0]=4 4864 B14R1.41 COc1cc(ccc1Cl)C(=C(C)C)C 271570a_200000049429_100011356853 [0,2,0,0,0,0|1,0,0]=3 4865 B14R1.41 COc1cc(ccc1Cl)C(=O)C(C)C 1458a_100000181799_100000210206 [0,2,0,0,0,0|1,0,1]=4 4866 B14R1.41 COc1cc(ccc1Cl)C(=O)N(C)C 11a_100102631434_100000181799 [0,2,0,0,0,0|2,0,0]=4 4867 B14R1.41 COc1cc(ccc1Cl)C(=O)N(C)C 1626a_100102631434_100000181799 [0,2,0,0,0,0|2,0,0]=4 4868 B14R1.41 COc1cc(ccc1Cl)C(=O)N(C)C 240690a_100102631434_100000181799 [0,2,0,0,0,0|2,0,0]=4 4869 B14R1.41 COc1cc(ccc1Cl)C(=O)N(C)C 527a_100102631434_100000181799 [0,2,0,0,0,0|2,0,0]=4 4870 B14R1.41 COc1cc(ccc1F)C(=C(C)C)C 271570a_200000049429_100011934186 [0,2,0,0,0,0|1,0,0]=3 4871 B14R1.41 COc1cc(ccc1F)C(=O)C(C)C 1458a_100000757635_100000210206 [0,2,0,0,0,0|1,0,1]=4 4872 B14R1.41 COc1cc(ccc1F)C(=O)N(C)C 11a_100102631434_100000757635 [0,2,0,0,0,0|2,0,0]=4 4873 B14R1.41 COc1cc(ccc1F)C(=O)N(C)C 1626a_100102631434_100000757635 [0,2,0,0,0,0|2,0,0]=4 4874 B14R1.41 COc1cc(ccc1F)C(=O)N(C)C 240690a_100102631434_100000757635 [0,2,0,0,0,0|2,0,0]=4 4875 B14R1.41 COc1cc(ccc1F)C(=O)N(C)C 527a_100102631434_100000757635 [0,2,0,0,0,0|2,0,0]=4 4876 B14R1.41 COc1cc(ccc1F)N(C)C(=O)C 11a_200012002703_100015343762 [0,2,0,0,0,0|2,0,0]=4 4877 B14R1.41 COc1cc(ccc1F)N(C)C(=O)C 1626a_200012002703_100015343762 [0,2,0,0,0,0|2,0,0]=4 4878 B14R1.41 COc1cc(ccc1F)N(C)C(=O)C 22a_200012002703_100000070787 [0,2,0,0,0,0|2,0,0]=4 4879 B14R1.41 COc1cc(ccc1F)N(C)C(=O)C 527a_200012002703_100103153847 [0,2,0,0,0,0|2,0,0]=4 4880 B14R1.41 COc1cc(ccc1I)C(=O)C(C)C 1458a_100012356290_100000210206 [0,2,0,0,0,0|1,0,1]=4 4881 B14R1.41 COc1cc(ccc1I)C(=O)N(C)C 11a_100102631434_100012356290 [0,2,0,0,0,0|2,0,0]=4 4882 B14R1.41 COc1cc(ccc1I)C(=O)N(C)C 1626a_100102631434_100012356290 [0,2,0,0,0,0|2,0,0]=4 4883 B14R1.41 COc1cc(ccc1I)C(=O)N(C)C 240690a_100102631434_100012356290 [0,2,0,0,0,0|2,0,0]=4 4884 B14R1.41 COc1cc(ccc1I)C(=O)N(C)C 527a_100102631434_100012356290 [0,2,0,0,0,0|2,0,0]=4 4885 B14R1.41 COc1cc(ccc1N)C(=C(C)C)C 271570a_200000049429_100011279103 [0,2,0,0,0,0|1,0,0]=3 4886 B14R1.41 COc1cc(ccc1O)C(=C(C)C)C 271570a_200000049429_100000694246 [0,2,0,0,0,0|0,0,0]=2 4887 B14R1.41 COc1cc(ccc1O)C(=O)C(C)C 1458a_100000687070_100000210206 [0,2,0,0,0,0|0,0,1]=3 4888 B14R1.41 COc1cc(ccc1O)C(=O)N(C)C 240690a_100102631434_100000687070 [0,2,0,0,0,0|1,0,0]=3 4889 B14R1.41 COc1cc(ccc1O)C(O)C(=O)C 1458a_100000036414_200000210301 [0,2,0,0,0,0|0,0,1]=3 4890 B14R1.41 COc1cc(ccc1O)C(O)C(=O)[13CH3] 1458a_100000036414_200025704644 [0,2,0,0,0,0|0,0,1]=3 4891 B14R1.41 COc1cc(cnc1C)C(=C(C)C)C 271570a_200000049429_100010254219 [0,2,0,0,0,0|2,0,0]=4 4892 B14R1.41 COc1cc(cnc1F)C(=C(C)C)C 271570a_200000049429_100010214931 [0,2,0,0,0,0|2,0,0]=4 4893 B14R1.41 COc1cc(cnc1N)C(=C(C)C)C 271570a_200000049429_106354213024 [0,2,0,0,0,0|2,0,0]=4 4894 B14R1.41 COc1cc(ncc1C)C(=C(C)C)C 271570a_200000049429_100010067687 [0,2,0,0,0,0|2,0,0]=4 4895 B14R1.41 COc1cc(ncc1F)C(=C(C)C)C 271570a_200000049429_200010136270 [0,2,0,0,0,0|2,0,0]=4 4896 B14R1.41 COc1cc(ncc1N)C(=C(C)C)C 271570a_200000049429_100009887741 [0,2,0,0,0,0|2,0,0]=4 4897 B14R1.41 COc1nc(ccc1N)C(=C(C)C)C 271570a_200000049429_100000687816 [0,2,0,0,0,0|2,0,0]=4 4898 B14R1.41 COc1nc(ccc1O)C(=C(C)C)C 271570a_200000049429_100010893133 [0,2,0,0,0,0|1,0,0]=3 4899 B14R1.41 COc1nc(cnc1O)C(=C(C)C)C 271570a_200000049429_200010365344 [0,2,0,0,0,0|2,0,0]=4 4900 B14R1.41 CSc1cc(ccc1F)C(=C(C)C)C 271570a_200000049429_100010341305 [0,2,0,0,0,0|1,1,0]=4 4901 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)Cl)Br 1458a_100020639751_100000210202 [0,2,0,0,0,0|1,0,1]=4 4902 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)F)F 1458a_100000081826_100000210202 [0,2,0,0,0,0|1,0,1]=4 4903 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100000210202 [0,2,0,0,0,0|0,0,1]=3 4904 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000210202 [0,2,0,0,0,0|0,0,1]=3 4905 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)Cl)Br 11a_106832991635_100020639751 [0,2,0,0,0,0|2,0,0]=4 4906 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)Cl)Br 1626a_100102657272_100020639751 [0,2,0,0,0,0|2,0,0]=4 4907 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)Cl)Br 240690a_100102657272_100020639751 [0,2,0,0,0,0|2,0,0]=4 4908 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)Cl)Br 527a_100102657272_100020639751 [0,2,0,0,0,0|2,0,0]=4 4909 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)F)F 11a_106832991635_100000081826 [0,2,0,0,0,0|2,0,0]=4 4910 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)F)F 1626a_100102657272_100000081826 [0,2,0,0,0,0|2,0,0]=4 4911 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)F)F 240690a_100102657272_100000081826 [0,2,0,0,0,0|2,0,0]=4 4912 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)F)F 527a_100102657272_100000081826 [0,2,0,0,0,0|2,0,0]=4 4913 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)O)Cl 240690a_100102657272_100000209947 [0,2,0,0,0,0|1,0,0]=3 4914 B14R1.358 COC(=O)c1cc(c(c(c1)OC)C)F 34a_100000101006_200000210301 [0,2,0,0,0,0|2,0,0]=4 4915 B14R1.358 COC(=O)c1cc(c(c(c1)OC)C)F 7a_100000101006_200000210301 [0,2,0,0,0,0|2,0,0]=4 4916 B14R1.358 COC(=O)c1cc(c(c(c1)OC)Cl)Br 34a_200020639753_200000210301 [0,2,0,0,0,0|2,0,0]=4 4917 B14R1.358 COC(=O)c1cc(c(c(c1)OC)Cl)Br 7a_200020639753_200000210301 [0,2,0,0,0,0|2,0,0]=4 4918 B14R1.358 COC(=O)c1cc(c(c(c1)OC)N)O 271570a_203496583355_100010236038 [0,2,0,0,0,0|2,0,0]=4 4919 B14R1.358 COC(=O)c1cc(c(c(c1)OC)O)O 271570a_203496583355_200009811556 [0,2,0,0,0,0|1,0,0]=3 4920 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])C)F 34a_100000101006_200025704644 [0,2,0,0,0,0|2,0,0]=4 4921 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])C)F 7a_100000101006_200025704644 [0,2,0,0,0,0|2,0,0]=4 4922 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])Cl)Br 34a_200020639753_200025704644 [0,2,0,0,0,0|2,0,0]=4 4923 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])Cl)Br 7a_200020639753_200025704644 [0,2,0,0,0,0|2,0,0]=4 4924 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)Cl 62a_100135280131_200000210301 [0,2,0,0,0,0|1,1,0]=4 4925 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)Cl 62a_200000210301_100135280131 [0,2,0,0,0,0|1,1,0]=4 4926 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)N 62a_100010372079_200000210301 [0,2,0,0,0,0|1,1,0]=4 4927 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)N 62a_200000210301_100010372079 [0,2,0,0,0,0|1,1,0]=4 4928 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)Cl 62a_100135280131_200025704644 [0,2,0,0,0,0|1,1,0]=4 4929 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)Cl 62a_200025704644_100135280131 [0,2,0,0,0,0|1,1,0]=4 4930 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)N 62a_100010372079_200025704644 [0,2,0,0,0,0|1,1,0]=4 4931 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)N 62a_200025704644_100010372079 [0,2,0,0,0,0|1,1,0]=4 4932 B14R1.358 COc1cc(cc(c1O)Cl)C(=O)CF 1458a_100000209947_100015361967 [0,2,0,0,0,0|1,0,1]=4 4933 B14R1.358 COc1cc(cc(c1O)O)C(=O)CF 1458a_100000061230_100015361967 [0,2,0,0,0,0|1,0,1]=4 4934 B14R1.436 CC=Cc1cc(ccc1O)C(=O)OC 271570a_100016259895_100000216328 [0,2,0,0,0,0|2,0,0]=4 4935 B14R1.436 CCOc1cc(ccc1Br)C(=O)OC 34a_100011934688_100000210202 [0,2,0,0,0,0|2,0,0]=4 4936 B14R1.436 CCOc1cc(ccc1Br)C(=O)OC 7a_100011934688_100000210202 [0,2,0,0,0,0|2,0,0]=4 4937 B14R1.436 CCOc1cc(ccc1C)C(=O)CC 1458a_100000238212_100000210202 [0,2,0,0,0,0|1,0,1]=4 4938 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 11a_106832991635_100000238212 [0,2,0,0,0,0|2,0,0]=4 4939 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 1626a_100102657272_100000238212 [0,2,0,0,0,0|2,0,0]=4 4940 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 240690a_100102657272_100000238212 [0,2,0,0,0,0|2,0,0]=4 4941 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 527a_100102657272_100000238212 [0,2,0,0,0,0|2,0,0]=4 4942 B14R1.436 CCOc1cc(ccc1C)C(=O)OC 34a_100000736511_100000210202 [0,2,0,0,0,0|2,0,0]=4 4943 B14R1.436 CCOc1cc(ccc1C)C(=O)OC 7a_100000736511_100000210202 [0,2,0,0,0,0|2,0,0]=4 4944 B14R1.436 CCOc1cc(ccc1Cl)C(=O)CC 1458a_200010207389_100000210202 [0,2,0,0,0,0|1,0,1]=4 4945 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 11a_106832991635_200010207389 [0,2,0,0,0,0|2,0,0]=4 4946 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 1626a_100102657272_200010207389 [0,2,0,0,0,0|2,0,0]=4 4947 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 240690a_100102657272_200010207389 [0,2,0,0,0,0|2,0,0]=4 4948 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 527a_100102657272_200010207389 [0,2,0,0,0,0|2,0,0]=4 4949 B14R1.436 CCOc1cc(ccc1Cl)C(=O)OC 34a_100000103815_100000210202 [0,2,0,0,0,0|2,0,0]=4 4950 B14R1.436 CCOc1cc(ccc1Cl)C(=O)OC 7a_100000103815_100000210202 [0,2,0,0,0,0|2,0,0]=4 4951 B14R1.436 CCOc1cc(ccc1F)C(=O)OC 34a_100000062259_100000210202 [0,2,0,0,0,0|2,0,0]=4 4952 B14R1.436 CCOc1cc(ccc1F)C(=O)OC 7a_100000062259_100000210202 [0,2,0,0,0,0|2,0,0]=4 4953 B14R1.436 CCOc1cc(ccc1I)C(=O)OC 34a_100012350776_100000210202 [0,2,0,0,0,0|2,0,0]=4 4954 B14R1.436 CCOc1cc(ccc1I)C(=O)OC 7a_100012350776_100000210202 [0,2,0,0,0,0|2,0,0]=4 4955 B14R1.436 CCOc1cc(ccc1N)C(=O)OC 34a_100000757247_100000210202 [0,2,0,0,0,0|2,0,0]=4 4956 B14R1.436 CCOc1cc(ccc1N)C(=O)OC 7a_100000757247_100000210202 [0,2,0,0,0,0|2,0,0]=4 4957 B14R1.436 CCOc1cc(ccc1O)C(=O)CC 1458a_100011260950_100000210202 [0,2,0,0,0,0|0,0,1]=3 4958 B14R1.436 CCOc1cc(ccc1O)C(=O)CF 1458a_100011260950_100015361967 [0,2,0,0,0,0|1,0,1]=4 4959 B14R1.436 CCOc1cc(ccc1O)C(=O)NC 240690a_100102657272_100011260950 [0,2,0,0,0,0|1,0,0]=3 4960 B14R1.436 CCSc1cc(ccc1O)C(=O)OC 62a_100000210202_100000216328 [0,2,0,0,0,0|1,1,0]=4 4961 B14R1.436 CCSc1cc(ccc1O)C(=O)OC 62a_100000216328_100000210202 [0,2,0,0,0,0|1,1,0]=4 4962 B14R1.436 COC(=O)c1ccc(c(c1)CO[13CH3])Br 34a_100010201863_200025704644 [0,2,0,0,0,0|2,0,0]=4 4963 B14R1.436 COC(=O)c1ccc(c(c1)CO[13CH3])Br 7a_100010201863_200025704644 [0,2,0,0,0,0|2,0,0]=4 4964 B14R1.436 COC(=O)c1ccc(c(c1)CO[13CH3])N 34a_200015838792_200025704644 [0,2,0,0,0,0|2,0,0]=4 4965 B14R1.436 COC(=O)c1ccc(c(c1)CO[13CH3])N 7a_200015838792_200025704644 [0,2,0,0,0,0|2,0,0]=4 4966 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Br 34a_100011934688_100015361967 [0,2,0,0,0,0|2,0,0]=4 4967 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Br 7a_100011934688_100015361967 [0,2,0,0,0,0|2,0,0]=4 4968 B14R1.436 COC(=O)c1ccc(c(c1)OCF)C 34a_100000736511_100015361967 [0,2,0,0,0,0|2,0,0]=4 4969 B14R1.436 COC(=O)c1ccc(c(c1)OCF)C 7a_100000736511_100015361967 [0,2,0,0,0,0|2,0,0]=4 4970 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Cl 34a_100000103815_100015361967 [0,2,0,0,0,0|2,0,0]=4 4971 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Cl 7a_100000103815_100015361967 [0,2,0,0,0,0|2,0,0]=4 4972 B14R1.436 COC(=O)c1ccc(c(c1)OCF)F 34a_100000062259_100015361967 [0,2,0,0,0,0|2,0,0]=4 4973 B14R1.436 COC(=O)c1ccc(c(c1)OCF)F 7a_100000062259_100015361967 [0,2,0,0,0,0|2,0,0]=4 4974 B14R1.436 COC(=O)c1ccc(c(c1)OCF)I 34a_100012350776_100015361967 [0,2,0,0,0,0|2,0,0]=4 4975 B14R1.436 COC(=O)c1ccc(c(c1)OCF)I 7a_100012350776_100015361967 [0,2,0,0,0,0|2,0,0]=4 4976 B14R1.436 COC(=O)c1ccc(c(c1)OCF)N 34a_100000757247_100015361967 [0,2,0,0,0,0|2,0,0]=4 4977 B14R1.436 COC(=O)c1ccc(c(c1)OCF)N 7a_100000757247_100015361967 [0,2,0,0,0,0|2,0,0]=4 4978 B14R1.436 COC(=O)c1ccc(c(c1)SCF)O 62a_100000216328_100015361967 [0,2,0,0,0,0|1,1,0]=4 4979 B14R1.436 COC(=O)c1ccc(c(c1)SCF)O 62a_100015361967_100000216328 [0,2,0,0,0,0|1,1,0]=4 4980 B14R1.436 COCc1cc(ccc1Br)C(=O)OC 34a_100010201863_200000210301 [0,2,0,0,0,0|2,0,0]=4 4981 B14R1.436 COCc1cc(ccc1Br)C(=O)OC 34a_100138415774_100012232407 [0,2,0,0,0,0|2,0,0]=4 4982 B14R1.436 COCc1cc(ccc1Br)C(=O)OC 7a_100010201863_200000210301 [0,2,0,0,0,0|2,0,0]=4 4983 B14R1.436 COCc1cc(ccc1N)C(=O)OC 34a_200015838792_200000210301 [0,2,0,0,0,0|2,0,0]=4 4984 B14R1.436 COCc1cc(ccc1N)C(=O)OC 7a_200015838792_200000210301 [0,2,0,0,0,0|2,0,0]=4 4985 B14R1.436 COCc1cc(ccc1O)C(=O)OC 271570a_203496583355_200010890493 [0,2,0,0,0,0|1,0,0]=3 4986 B14R1.626 C#CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000184674 [0,2,0,0,0,0|0,0,2]=4 4987 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210623 [0,2,0,0,0,0|1,0,1]=4 4988 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210623 [0,2,0,0,0,0|1,0,1]=4 4989 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210623 [0,2,0,0,0,0|1,0,1]=4 4990 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210623 [0,2,0,0,0,0|1,0,1]=4 4991 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210623 [0,2,0,0,0,0|1,0,1]=4 4992 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210623 [0,2,0,0,0,0|0,0,1]=3 4993 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210303 [0,2,0,0,0,0|1,0,1]=4 4994 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210303 [0,2,0,0,0,0|1,0,1]=4 4995 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210303 [0,2,0,0,0,0|1,0,1]=4 4996 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210303 [0,2,0,0,0,0|1,0,1]=4 4997 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210303 [0,2,0,0,0,0|1,0,1]=4 4998 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210303 [0,2,0,0,0,0|0,0,1]=3 4999 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Br 11a_100015525214_100011934951 [0,2,0,0,0,0|1,0,1]=4 5000 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Br 240690a_100015525214_100011934951 [0,2,0,0,0,0|1,0,1]=4 5001 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Br 527a_100015525214_100011934951 [0,2,0,0,0,0|1,0,1]=4 5002 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)C 11a_100015525214_100000212341 [0,2,0,0,0,0|1,0,1]=4 5003 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)C 240690a_100015525214_100000212341 [0,2,0,0,0,0|1,0,1]=4 5004 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)C 527a_100015525214_100000212341 [0,2,0,0,0,0|1,0,1]=4 5005 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Cl 11a_100015525214_100000181799 [0,2,0,0,0,0|1,0,1]=4 5006 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Cl 240690a_100015525214_100000181799 [0,2,0,0,0,0|1,0,1]=4 5007 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Cl 527a_100015525214_100000181799 [0,2,0,0,0,0|1,0,1]=4 5008 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)F 11a_100015525214_100000757635 [0,2,0,0,0,0|1,0,1]=4 5009 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)F 240690a_100015525214_100000757635 [0,2,0,0,0,0|1,0,1]=4 5010 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)F 527a_100015525214_100000757635 [0,2,0,0,0,0|1,0,1]=4 5011 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)I 11a_100015525214_100012356290 [0,2,0,0,0,0|1,0,1]=4 5012 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)I 240690a_100015525214_100012356290 [0,2,0,0,0,0|1,0,1]=4 5013 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)I 527a_100015525214_100012356290 [0,2,0,0,0,0|1,0,1]=4 5014 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)O 240690a_100015525214_100000687070 [0,2,0,0,0,0|0,0,1]=3 5015 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)Br 7a_100012355281_200000210301 [0,2,0,0,0,0|1,0,1]=4 5016 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)F 34a_200009842343_200000210301 [0,2,0,0,0,0|1,0,1]=4 5017 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)F 7a_200009842343_200000210301 [0,2,0,0,0,0|1,0,1]=4 5018 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)N 7a_100000756704_200000210301 [0,2,0,0,0,0|1,0,1]=4 5019 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100010189661 [0,2,0,0,0,0|0,0,1]=3 5020 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100012355281_200025704644 [0,2,0,0,0,0|1,0,1]=4 5021 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])F 34a_200009842343_200025704644 [0,2,0,0,0,0|1,0,1]=4 5022 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])F 7a_200009842343_200025704644 [0,2,0,0,0,0|1,0,1]=4 5023 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000756704_200025704644 [0,2,0,0,0,0|1,0,1]=4 5024 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100009812659 [0,2,0,0,0,0|0,1,1]=4 5025 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100009812659 [0,2,0,0,0,0|0,1,1]=4 5026 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)Br 2230a_106832991635_200010710740 [0,2,0,0,0,0|1,0,1]=4 5027 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)Br 34a_100102657272_200010710740 [0,2,0,0,0,0|1,0,1]=4 5028 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)F 2230a_106832991635_200012348595 [0,2,0,0,0,0|1,0,1]=4 5029 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)F 34a_100102657272_200012348595 [0,2,0,0,0,0|1,0,1]=4 5030 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)F 7a_106832991635_200012348595 [0,2,0,0,0,0|1,0,1]=4 5031 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)O 7a_106832991635_100010206313 [0,2,0,0,0,0|0,0,1]=3 5032 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)Br 22a_100016993582_100011934951 [0,2,0,0,0,0|2,0,0]=4 5033 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)C 22a_100016993582_100000212341 [0,2,0,0,0,0|2,0,0]=4 5034 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)Cl 22a_100016993582_100000181799 [0,2,0,0,0,0|2,0,0]=4 5035 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)F 22a_100016993582_100000757635 [0,2,0,0,0,0|2,0,0]=4 5036 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)I 22a_100016993582_100012356290 [0,2,0,0,0,0|2,0,0]=4 5037 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)O 22a_100016993582_100000687070 [0,2,0,0,0,0|1,0,0]=3 5038 B14R1.626 COCC(=O)c1ccc(c(c1)OC)Br 34a_100138415774_200010710740 [0,2,0,0,0,0|1,0,1]=4 5039 B14R1.626 COCC(=O)c1ccc(c(c1)OC)F 34a_100138415774_200012348595 [0,2,0,0,0,0|1,0,1]=4 5040 B14R1.626 COc1cc(ccc1Br)C(=O)CCF 1458a_100011934951_100011217306 [0,2,0,0,0,0|1,0,1]=4 5041 B14R1.626 COc1cc(ccc1Br)C(=O)CCO 1458a_100011934951_100000211926 [0,2,0,0,0,0|1,0,1]=4 5042 B14R1.626 COc1cc(ccc1Br)C(=O)CSC 62a_200010710740_200000210301 [0,2,0,0,0,0|1,0,1]=4 5043 B14R1.626 COc1cc(ccc1Br)C(=O)CS[13CH3] 62a_200010710740_200025704644 [0,2,0,0,0,0|1,0,1]=4 5044 B14R1.626 COc1cc(ccc1C)C(=O)CCF 1458a_100000212341_100011217306 [0,2,0,0,0,0|1,0,1]=4 5045 B14R1.626 COc1cc(ccc1C)C(=O)CCO 1458a_100000212341_100000211926 [0,2,0,0,0,0|1,0,1]=4 5046 B14R1.626 COc1cc(ccc1Cl)C(=O)CCF 1458a_100000181799_100011217306 [0,2,0,0,0,0|1,0,1]=4 5047 B14R1.626 COc1cc(ccc1Cl)C(=O)CCO 1458a_100000181799_100000211926 [0,2,0,0,0,0|1,0,1]=4 5048 B14R1.626 COc1cc(ccc1F)C(=O)CCF 1458a_100000757635_100011217306 [0,2,0,0,0,0|1,0,1]=4 5049 B14R1.626 COc1cc(ccc1F)C(=O)CCO 1458a_100000757635_100000211926 [0,2,0,0,0,0|1,0,1]=4 5050 B14R1.626 COc1cc(ccc1F)C(=O)CSC 62a_200000210301_200012348595 [0,2,0,0,0,0|1,0,1]=4 5051 B14R1.626 COc1cc(ccc1F)C(=O)CSC 62a_200012348595_200000210301 [0,2,0,0,0,0|1,0,1]=4 5052 B14R1.626 COc1cc(ccc1F)C(=O)CS[13CH3] 62a_200012348595_200025704644 [0,2,0,0,0,0|1,0,1]=4 5053 B14R1.626 COc1cc(ccc1F)C(=O)CS[13CH3] 62a_200025704644_200012348595 [0,2,0,0,0,0|1,0,1]=4 5054 B14R1.626 COc1cc(ccc1I)C(=O)CCF 1458a_100012356290_100011217306 [0,2,0,0,0,0|1,0,1]=4 5055 B14R1.626 COc1cc(ccc1I)C(=O)CCO 1458a_100012356290_100000211926 [0,2,0,0,0,0|1,0,1]=4 5056 B14R1.626 COc1cc(ccc1O)C(=O)CC#N 1458a_100000687070_100011214920 [0,2,0,0,0,0|0,0,2]=4 5057 B14R1.626 COc1cc(ccc1O)C(=O)CCF 1458a_100000687070_100011217306 [0,2,0,0,0,0|0,0,1]=3 5058 B14R1.626 COc1cc(ccc1O)C(=O)CCO 1458a_100000687070_100000211926 [0,2,0,0,0,0|0,0,1]=3 5059 B14R1.626 COc1cc(ccc1O)C(=O)CSC 62a_100010206313_200000210301 [0,2,0,0,0,0|0,0,1]=3 5060 B14R1.626 COc1cc(ccc1O)C(=O)CS[13CH3] 62a_100010206313_200025704644 [0,2,0,0,0,0|0,0,1]=3 5061 B14R1.748 C=C(C)c1cc(ccc1O)C(=O)OC 271570a_100000694244_100000216328 [0,2,0,0,0,0|2,0,0]=4 5062 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)C)O 271570a_203496583355_200016005208 [0,2,0,0,0,0|2,0,0]=4 5063 B14R1.748 COC(=O)c1ccc(c(c1)C(C)C)O 271570a_203496583355_200025703530 [0,2,0,0,0,0|2,0,0]=4 5064 B14R1.1864 C=Cc1ccc(cc1OC)C(=O)OC 271570a_100011290941_100009816954 [0,2,0,0,0,0|2,0,0]=4 5065 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)C#N 1458a_100009879710_100000210202 [0,2,0,0,0,0|1,0,1]=4 5066 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210202 [0,2,0,0,0,0|0,0,1]=3 5067 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 34a_100000012293_200000210301 [0,2,0,0,0,0|0,0,1]=3 5068 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 7a_100000012293_200000210301 [0,2,0,0,0,0|0,0,1]=3 5069 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000012293_200025704644 [0,2,0,0,0,0|0,0,1]=3 5070 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000012293_200025704644 [0,2,0,0,0,0|0,0,1]=3 5071 B14R1.1864 CCC(O)c1ccc(c(c1)OC)OC 34a_200000015950_200000210301 [0,2,0,0,0,0|0,0,2]=4 5072 B14R1.1864 CCC(O)c1ccc(c(c1)OC)OC 7a_200000015950_200000210301 [0,2,0,0,0,0|0,0,2]=4 5073 B14R1.1864 CCC(O)c1ccc(c(c1)OC)O[13CH3] 34a_200000015950_200025704644 [0,2,0,0,0,0|0,0,2]=4 5074 B14R1.1864 CCC(O)c1ccc(c(c1)OC)O[13CH3] 7a_200000015950_200025704644 [0,2,0,0,0,0|0,0,2]=4 5075 B14R1.1864 CCN(C)c1ccc(c(c1)OC)OC 2230a_100000221037_200000210301 [0,2,0,0,0,0|1,0,1]=4 5076 B14R1.1864 CCN(C)c1ccc(c(c1)OC)OC 269982a_100000221037_200000210301 [0,2,0,0,0,0|1,0,1]=4 5077 B14R1.1864 CCN(C)c1ccc(c(c1)OC)OC 34a_100000221037_200000210301 [0,2,0,0,0,0|1,0,1]=4 5078 B14R1.1864 CCN([13CH3])c1ccc(c(c1)OC)OC 2230a_100000221037_200025704644 [0,2,0,0,0,0|1,0,1]=4 5079 B14R1.1864 CCN([13CH3])c1ccc(c(c1)OC)OC 269982a_100000221037_200025704644 [0,2,0,0,0,0|1,0,1]=4 5080 B14R1.1864 CCN([13CH3])c1ccc(c(c1)OC)OC 34a_100000221037_200025704644 [0,2,0,0,0,0|1,0,1]=4 5081 B14R1.1864 CNC(=O)c1ccc(c(c1)NC)OC 2230a_100000740754_200000210301 [0,2,0,0,0,0|2,0,0]=4 5082 B14R1.1864 CNC(=O)c1ccc(c(c1)NC)OC 34a_100000740754_200000210301 [0,2,0,0,0,0|2,0,0]=4 5083 B14R1.1864 CNC(=O)c1ccc(c(c1)N[13CH3])OC 2230a_100000740754_200025704644 [0,2,0,0,0,0|2,0,0]=4 5084 B14R1.1864 CNC(=O)c1ccc(c(c1)N[13CH3])OC 34a_100000740754_200025704644 [0,2,0,0,0,0|2,0,0]=4 5085 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 11a_106832991635_100009879710 [0,2,0,0,0,0|2,0,0]=4 5086 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 1626a_100102657272_100009879710 [0,2,0,0,0,0|2,0,0]=4 5087 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 240690a_100102657272_100009879710 [0,2,0,0,0,0|2,0,0]=4 5088 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 527a_100102657272_100009879710 [0,2,0,0,0,0|2,0,0]=4 5089 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)NC 2230a_100011850465_200000210301 [0,2,0,0,0,0|2,0,0]=4 5090 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)NC 34a_100011850465_200000210301 [0,2,0,0,0,0|2,0,0]=4 5091 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)N[13CH3] 2230a_100011850465_200025704644 [0,2,0,0,0,0|2,0,0]=4 5092 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)N[13CH3] 34a_100011850465_200025704644 [0,2,0,0,0,0|2,0,0]=4 5093 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 11a_106832991635_100000211223 [0,2,0,0,0,0|1,0,0]=3 5094 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 1626a_100102657272_100000211223 [0,2,0,0,0,0|1,0,0]=3 5095 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 240690a_100102657272_100000211223 [0,2,0,0,0,0|1,0,0]=3 5096 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 527a_100102657272_100000211223 [0,2,0,0,0,0|1,0,0]=3 5097 B14R1.1864 CNC(C)c1ccc(c(c1)OC)OC 269862a_106832991636_100000171757 [0,2,0,0,0,0|1,0,1]=4 5098 B14R1.1864 CN[C@H](C)c1ccc(c(c1)OC)OC 2230a_100025717294_200000210301 [0,2,0,0,0,0|1,0,1]=4 5099 B14R1.1864 COC(=O)c1ccc(c(c1)OC)C#N 34a_100000044657_200000210301 [0,2,0,0,0,0|2,0,0]=4 5100 B14R1.1864 COC(=O)c1ccc(c(c1)OC)C#N 7a_100000044657_200000210301 [0,2,0,0,0,0|2,0,0]=4 5101 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100000212147_200000210301 [0,2,0,0,0,0|1,0,0]=3 5102 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100011215032_200000210301 [0,2,0,0,0,0|1,0,0]=3 5103 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100000212147_200000210301 [0,2,0,0,0,0|1,0,0]=3 5104 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100011215032_200000210301 [0,2,0,0,0,0|1,0,0]=3 5105 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000212147_200025704644 [0,2,0,0,0,0|1,0,0]=3 5106 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000212147_200025704644 [0,2,0,0,0,0|1,0,0]=3 5107 B14R1.1864 COC(=O)c1ccc(c(c1)OC)SC 62a_100009816954_200000210301 [0,2,0,0,0,0|1,1,0]=4 5108 B14R1.1864 COC(=O)c1ccc(c(c1)OC)SC 62a_200000210301_100009816954 [0,2,0,0,0,0|1,1,0]=4 5109 B14R1.1864 COC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_100009816954_200025704644 [0,2,0,0,0,0|1,1,0]=4 5110 B14R1.1864 COC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100009816954 [0,2,0,0,0,0|1,1,0]=4 5111 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])C#N 34a_100000044657_200025704644 [0,2,0,0,0,0|2,0,0]=4 5112 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])C#N 7a_100000044657_200025704644 [0,2,0,0,0,0|2,0,0]=4 5113 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 34a_100011215032_200025704644 [0,2,0,0,0,0|1,0,0]=3 5114 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 7a_100011215032_200025704644 [0,2,0,0,0,0|1,0,0]=3 5115 B14R1.1864 COC(=O)c1ccc(c(c1)SC)CO 62a_100012355398_200000210301 [0,2,0,0,0,0|1,1,0]=4 5116 B14R1.1864 COC(=O)c1ccc(c(c1)SC)CO 62a_200000210301_100012355398 [0,2,0,0,0,0|1,1,0]=4 5117 B14R1.1864 COC(=O)c1ccc(c(c1)SC)OC 62a_100000189012_200000210301 [0,2,0,0,0,0|1,1,0]=4 5118 B14R1.1864 COC(=O)c1ccc(c(c1)SC)OC 62a_200000210301_100000189012 [0,2,0,0,0,0|1,1,0]=4 5119 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])CO 62a_100012355398_200025704644 [0,2,0,0,0,0|1,1,0]=4 5120 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])CO 62a_200025704644_100012355398 [0,2,0,0,0,0|1,1,0]=4 5121 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])OC 62a_100000189012_200025704644 [0,2,0,0,0,0|1,1,0]=4 5122 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])OC 62a_200025704644_100000189012 [0,2,0,0,0,0|1,1,0]=4 5123 B14R1.1864 COC(=O)c1cnc(c(c1)OC)OC 34a_100009867281_200000210301 [0,2,0,0,0,0|2,0,0]=4 5124 B14R1.1864 COC(=O)c1cnc(c(c1)O[13CH3])OC 34a_100009867281_200025704644 [0,2,0,0,0,0|2,0,0]=4 5125 B14R1.1864 COc1cc(ccc1O[13CH3])C(=NO)N 34a_200000748009_200025704644 [0,2,0,0,0,0|2,0,0]=4 5126 B14R1.1864 COc1cc(ccc1O[13CH3])C(=O)NN 34a_100000008232_200025704644 [0,2,0,0,0,0|2,0,0]=4 5127 B14R1.1864 COc1ccc(cc1OC)C(=NO)N 34a_200000748009_200000210301 [0,2,0,0,0,0|2,0,0]=4 5128 B14R1.1864 COc1ccc(cc1OC)C(=O)CF 1458a_100000211223_100015361967 [0,2,0,0,0,0|1,0,1]=4 5129 B14R1.1864 COc1ccc(cc1OC)C(=O)NN 34a_100000008232_200000210301 [0,2,0,0,0,0|2,0,0]=4 5130 B14R1.1864 COc1ccc(cc1OC)C(=O)NN 34a_200012634778_200000210301 [0,2,0,0,0,0|2,0,0]=4 5131 B14R1.1864 COc1ccc(cc1OC)C(C)OC 34a_100000246476_200000210301 [0,2,0,0,0,0|1,0,1]=4 5132 B14R1.1864 COc1ccc(cc1OC)C(C)OC 7a_100000246476_200000210301 [0,2,0,0,0,0|1,0,1]=4 5133 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 34a_100000246476_200025704644 [0,2,0,0,0,0|1,0,1]=4 5134 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 7a_100000246476_200025704644 [0,2,0,0,0,0|1,0,1]=4 5135 B14R1.1864 COc1ccc(cc1OC)[C@@H](C)N[13CH3] 2230a_100025717294_200025704644 [0,2,0,0,0,0|1,0,1]=4 5136 B14R1.1864 COc1ccc(cc1O[13CH3])C(=O)NN 34a_200012634778_200025704644 [0,2,0,0,0,0|2,0,0]=4 5137 B14R1.2283 CCC(=O)c1cc(c(cc1Br)C)OC 1458a_100010289115_100000210202 [0,2,0,0,0,0|1,0,1]=4 5138 B14R1.2283 CCC(=O)c1cc(c(cc1Br)F)OC 1458a_100010174800_100000210202 [0,2,0,0,0,0|1,0,1]=4 5139 B14R1.2283 CNC(=O)c1cc(c(cc1Br)C)OC 11a_106832991635_100010289115 [0,2,0,0,0,0|2,0,0]=4 5140 B14R1.2283 CNC(=O)c1cc(c(cc1Br)C)OC 1626a_100102657272_100010289115 [0,2,0,0,0,0|2,0,0]=4 5141 B14R1.2283 CNC(=O)c1cc(c(cc1Br)C)OC 240690a_100102657272_100010289115 [0,2,0,0,0,0|2,0,0]=4 5142 B14R1.2283 CNC(=O)c1cc(c(cc1Br)C)OC 527a_100102657272_100010289115 [0,2,0,0,0,0|2,0,0]=4 5143 B14R1.2283 CNC(=O)c1cc(c(cc1Br)F)OC 11a_106832991635_100010174800 [0,2,0,0,0,0|2,0,0]=4 5144 B14R1.2283 CNC(=O)c1cc(c(cc1Br)F)OC 1626a_100102657272_100010174800 [0,2,0,0,0,0|2,0,0]=4 5145 B14R1.2283 CNC(=O)c1cc(c(cc1Br)F)OC 240690a_100102657272_100010174800 [0,2,0,0,0,0|2,0,0]=4 5146 B14R1.2283 CNC(=O)c1cc(c(cc1Br)F)OC 527a_100102657272_100010174800 [0,2,0,0,0,0|2,0,0]=4 5147 B14R1.2283 COC(=O)c1cc(c(cc1Cl)F)OC 34a_100010071070_200000210301 [0,2,0,0,0,0|2,0,0]=4 5148 B14R1.2283 COC(=O)c1cc(c(cc1Cl)F)OC 7a_100010071070_200000210301 [0,2,0,0,0,0|2,0,0]=4 5149 B14R1.2283 COC(=O)c1cc(c(cc1Cl)F)O[13CH3] 34a_100010071070_200025704644 [0,2,0,0,0,0|2,0,0]=4 5150 B14R1.2283 COC(=O)c1cc(c(cc1Cl)F)O[13CH3] 7a_100010071070_200025704644 [0,2,0,0,0,0|2,0,0]=4 5151 B14R1.2283 COC(=O)c1cc(c(cc1F)C)OC 34a_100009839768_200000210301 [0,2,0,0,0,0|2,0,0]=4 5152 B14R1.2283 COC(=O)c1cc(c(cc1F)C)OC 7a_100009839768_200000210301 [0,2,0,0,0,0|2,0,0]=4 5153 B14R1.2283 COC(=O)c1cc(c(cc1F)C)O[13CH3] 34a_100009839768_200025704644 [0,2,0,0,0,0|2,0,0]=4 5154 B14R1.2283 COC(=O)c1cc(c(cc1F)C)O[13CH3] 7a_100009839768_200025704644 [0,2,0,0,0,0|2,0,0]=4 5155 B14R1.2283 COC(=O)c1cc(c(cc1N)F)OC 34a_100011586606_200000210301 [0,2,0,0,0,0|2,0,0]=4 5156 B14R1.2283 COC(=O)c1cc(c(cc1N)F)OC 7a_100011586606_200000210301 [0,2,0,0,0,0|2,0,0]=4 5157 B14R1.2283 COC(=O)c1cc(c(cc1N)F)O[13CH3] 34a_100011586606_200025704644 [0,2,0,0,0,0|2,0,0]=4 5158 B14R1.2283 COC(=O)c1cc(c(cc1N)F)O[13CH3] 7a_100011586606_200025704644 [0,2,0,0,0,0|2,0,0]=4 5159 B14R1.2283 COC(=O)c1cc(c(cc1N)O)OC 271570a_203496583355_100014686525 [0,2,0,0,0,0|1,0,0]=3 5160 B14R1.2283 COC(=O)c1cc(c(cc1O)F)OC 271570a_203496583355_100010269054 [0,2,0,0,0,0|2,0,0]=4 5161 B14R1.4114 CCC(=O)c1ccc(c(c1F)OC)Br 1458a_100009816242_100000210202 [0,2,0,0,0,0|1,0,1]=4 5162 B14R1.4114 CCC(=O)c1ccc(c(c1F)OC)Cl 1458a_100010116254_100000210202 [0,2,0,0,0,0|1,0,1]=4 5163 B14R1.4114 CCC(=O)c1ccc(c(c1F)OC)F 1458a_100000061937_100000210202 [0,2,0,0,0,0|1,0,1]=4 5164 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 11a_106832991635_100009816242 [0,2,0,0,0,0|2,0,0]=4 5165 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 1626a_100102657272_100009816242 [0,2,0,0,0,0|2,0,0]=4 5166 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 240690a_100102657272_100009816242 [0,2,0,0,0,0|2,0,0]=4 5167 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 527a_100102657272_100009816242 [0,2,0,0,0,0|2,0,0]=4 5168 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 11a_106832991635_100010116254 [0,2,0,0,0,0|2,0,0]=4 5169 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 1626a_100102657272_100010116254 [0,2,0,0,0,0|2,0,0]=4 5170 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 240690a_100102657272_100010116254 [0,2,0,0,0,0|2,0,0]=4 5171 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 527a_100102657272_100010116254 [0,2,0,0,0,0|2,0,0]=4 5172 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 11a_106832991635_100000061937 [0,2,0,0,0,0|2,0,0]=4 5173 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 1626a_100102657272_100000061937 [0,2,0,0,0,0|2,0,0]=4 5174 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 240690a_100102657272_100000061937 [0,2,0,0,0,0|2,0,0]=4 5175 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 527a_100102657272_100000061937 [0,2,0,0,0,0|2,0,0]=4 5176 B14R1.4114 COC(=O)c1ccc(c(c1C)OC)Br 34a_100010889012_200000210301 [0,2,0,0,0,0|2,0,0]=4 5177 B14R1.4114 COC(=O)c1ccc(c(c1C)OC)Br 7a_100010889012_200000210301 [0,2,0,0,0,0|2,0,0]=4 5178 B14R1.4114 COC(=O)c1ccc(c(c1C)O[13CH3])Br 34a_100010889012_200025704644 [0,2,0,0,0,0|2,0,0]=4 5179 B14R1.4114 COC(=O)c1ccc(c(c1C)O[13CH3])Br 7a_100010889012_200025704644 [0,2,0,0,0,0|2,0,0]=4 5180 B14R1.4114 COC(=O)c1ccc(c(c1F)OC)Br 34a_100011096176_200000210301 [0,2,0,0,0,0|2,0,0]=4 5181 B14R1.4114 COC(=O)c1ccc(c(c1F)OC)Br 7a_100011096176_200000210301 [0,2,0,0,0,0|2,0,0]=4 5182 B14R1.4114 COC(=O)c1ccc(c(c1F)O[13CH3])Br 34a_100011096176_200025704644 [0,2,0,0,0,0|2,0,0]=4 5183 B14R1.4114 COC(=O)c1ccc(c(c1F)O[13CH3])Br 7a_100011096176_200025704644 [0,2,0,0,0,0|2,0,0]=4 5184 B14R1.343 CC(=Cc1cc(c(c(c1)C#N)O)C)C 271570a_100102525489_100010195408 [0,2,0,0,0,0|2,0,0]=4 5185 B14R1.343 CC(=Cc1cc(c(c(c1)C=O)O)F)C 271570a_100102525489_100011217654 [0,2,0,0,0,0|2,0,0]=4 5186 B14R1.343 CCc1cc(cc(c1N)C)C=C(C)C 271570a_100102525489_200000186424 [0,2,0,0,0,0|2,0,0]=4 5187 B14R1.343 CCc1cc(cc(c1O)C)C=C(C)C 271570a_100102525489_100010659108 [0,2,0,0,0,0|1,0,0]=3 5188 B14R1.343 COc1cc(cc(c1Cl)Br)NC(=O)C 11a_100010131419_100015343762 [0,2,0,0,0,0|2,0,0]=4 5189 B14R1.343 COc1cc(cc(c1Cl)Br)NC(=O)C 1626a_100010131419_100015343762 [0,2,0,0,0,0|2,0,0]=4 5190 B14R1.343 COc1cc(cc(c1Cl)Br)NC(=O)C 22a_100010131419_100000070787 [0,2,0,0,0,0|2,0,0]=4 5191 B14R1.343 COc1cc(cc(c1Cl)Br)NC(=O)C 527a_100010131419_100103153847 [0,2,0,0,0,0|2,0,0]=4 5192 B14R1.343 COc1cc(cc(c1F)C)C=C(C)C 271570a_100102525489_100010271686 [0,2,0,0,0,0|1,0,0]=3 5193 B14R1.343 COc1cc(cc(c1F)F)C=C(C)C 271570a_100102525489_100011218012 [0,2,0,0,0,0|1,0,0]=3 5194 B14R1.343 COc1cc(cc(c1F)O)C=C(C)C 271570a_100102525489_200015524394 [0,2,0,0,0,0|1,0,0]=3 5195 B14R1.343 COc1cc(cc(c1N)C)C=C(C)C 271570a_100102525489_100000741850 [0,2,0,0,0,0|1,0,0]=3 5196 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)C 1458a_100009814412_200000210301 [0,2,0,0,0,0|0,0,1]=3 5197 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)[13CH3] 1458a_100009814412_200025704644 [0,2,0,0,0,0|0,0,1]=3 5198 B14R1.343 COc1cc(cc(c1O)O)SC(C)C 62a_100000210206_200159242197 [0,2,0,0,0,0|1,0,1]=4 5199 B14R1.439 CC(=O)Cc1ccc(c(c1)SCF)O 62a_100010141077_100015361967 [0,2,0,0,0,0|0,1,1]=4 5200 B14R1.439 CC(=O)Cc1ccc(c(c1)SCF)O 62a_100015361967_100010141077 [0,2,0,0,0,0|0,1,1]=4 5201 B14R1.439 CC(=O)Nc1ccc(c(c1)OCF)Cl 34a_100011935283_100015361967 [0,2,0,0,0,0|2,0,0]=4 5202 B14R1.439 CC(=O)Nc1ccc(c(c1)OCF)Cl 7a_100011935283_100015361967 [0,2,0,0,0,0|2,0,0]=4 5203 B14R1.439 CC=Cc1cc(ccc1O)CC(=O)C 271570a_100016259895_100010141077 [0,2,0,0,0,0|1,0,1]=4 5204 B14R1.439 CCNc1cc(ccc1N)C=C(C)C 271570a_100102525489_100000696630 [0,2,0,0,0,0|2,0,0]=4 5205 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 11a_200016990551_100015343762 [0,2,0,0,0,0|2,0,0]=4 5206 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 1626a_200016990551_100015343762 [0,2,0,0,0,0|2,0,0]=4 5207 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 22a_200016990551_100000070787 [0,2,0,0,0,0|2,0,0]=4 5208 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 527a_200016990551_100103153847 [0,2,0,0,0,0|2,0,0]=4 5209 B14R1.439 CCOc1cc(ccc1C)C=C(C)C 271570a_100102525489_100012361169 [0,2,0,0,0,0|1,0,0]=3 5210 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 11a_100011964961_100015343762 [0,2,0,0,0,0|2,0,0]=4 5211 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 1626a_100011964961_100015343762 [0,2,0,0,0,0|2,0,0]=4 5212 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 22a_100011964961_100000070787 [0,2,0,0,0,0|2,0,0]=4 5213 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 34a_100011935283_100000210202 [0,2,0,0,0,0|2,0,0]=4 5214 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 527a_100011964961_100103153847 [0,2,0,0,0,0|2,0,0]=4 5215 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 7a_100011935283_100000210202 [0,2,0,0,0,0|2,0,0]=4 5216 B14R1.439 CCOc1cc(ccc1F)C=C(C)C 271570a_100102525489_200012344967 [0,2,0,0,0,0|1,0,0]=3 5217 B14R1.439 CCOc1cc(ccc1N)C=C(C)C 271570a_100102525489_100000688918 [0,2,0,0,0,0|1,0,0]=3 5218 B14R1.439 CCOc1cc(ccc1O)CC(=O)C 1458a_200000048972_200000210301 [0,2,0,0,0,0|0,0,1]=3 5219 B14R1.439 CCOc1cc(ccc1O)CC(=O)[13CH3] 1458a_200000048972_200025704644 [0,2,0,0,0,0|0,0,1]=3 5220 B14R1.439 CCOc1cc(cnc1F)C=C(C)C 271570a_100102525489_100010732568 [0,2,0,0,0,0|2,0,0]=4 5221 B14R1.439 CCOc1cc(ncc1N)C=C(C)C 271570a_100102525489_100015764953 [0,2,0,0,0,0|2,0,0]=4 5222 B14R1.439 CCSc1cc(ccc1O)CC(=O)C 62a_100000210202_100010141077 [0,2,0,0,0,0|0,1,1]=4 5223 B14R1.439 CCSc1cc(ccc1O)CC(=O)C 62a_100010141077_100000210202 [0,2,0,0,0,0|0,1,1]=4 5224 B14R1.439 CNCc1cc(ccc1C)C=C(C)C 271570a_100102525489_106744473289 [0,2,0,0,0,0|2,0,0]=4 5225 B14R1.439 CNCc1cc(ccc1F)C=C(C)C 271570a_100102525489_100000748472 [0,2,0,0,0,0|2,0,0]=4 5226 B14R1.439 CNCc1cc(ccc1O)C=C(C)C 271570a_100102525489_100011602694 [0,2,0,0,0,0|1,0,0]=3 5227 B14R1.439 COCc1cc(ccc1Br)C=C(C)C 271570a_100102525489_202125822959 [0,2,0,0,0,0|1,0,0]=3 5228 B14R1.439 COCc1cc(ccc1F)C=C(C)C 271570a_100102525489_100010140362 [0,2,0,0,0,0|1,0,0]=3 5229 B14R1.705 C=C(C)c1cc(ccc1O)CC(=O)C 271570a_100000694244_100010141077 [0,2,0,0,0,0|1,0,1]=4 5230 B14R1.705 CC(=Cc1ccc(c(c1)B(O)O)O)C 271570a_100102525489_200009814749 [0,2,0,0,0,0|2,0,0]=4 5231 B14R1.705 CC(=Cc1ccc(c(c1)C(=O)N)O)C 271570a_100102525489_100000192807 [0,2,0,0,0,0|2,0,0]=4 5232 B14R1.705 CC(=Cc1ccc(c(c1)C(C)C)F)C 271570a_100102525489_200053017515 [0,2,0,0,0,0|2,0,0]=4 5233 B14R1.705 CC(=Cc1ccc(c(c1)C(C)C)N)C 271570a_100102525489_100000694223 [0,2,0,0,0,0|2,0,0]=4 5234 B14R1.705 CC(=Cc1ccc(c(c1)C(C)C)O)C 271570a_100102525489_100000691460 [0,2,0,0,0,0|1,0,0]=3 5235 B14R1.705 CC(=Cc1ccc(c(c1)C(C)O)F)C 271570a_100102525489_100011943926 [0,2,0,0,0,0|2,0,0]=4 5236 B14R1.705 CC(=Cc1ccc(c(c1)N(C)C)F)C 271570a_100102525489_100010288836 [0,2,0,0,0,0|2,0,0]=4 5237 B14R1.705 CC(=O)Nc1ccc(c(c1)C(=O)C)O 1458a_100000743812_200000210301 [0,2,0,0,0,0|2,0,0]=4 5238 B14R1.705 CC(=O)Nc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000743812_200025704644 [0,2,0,0,0,0|2,0,0]=4 5239 B14R1.705 CC(=O)c1cc(ccc1C)C=C(C)C 271570a_100102525489_100012706819 [0,2,0,0,0,0|2,0,0]=4 5240 B14R1.705 CC(=O)c1cc(ccc1Cl)C=C(C)C 271570a_100102525489_100010712560 [0,2,0,0,0,0|2,0,0]=4 5241 B14R1.705 CC(=O)c1cc(ccc1F)C=C(C)C 271570a_100102525489_100000689017 [0,2,0,0,0,0|2,0,0]=4 5242 B14R1.705 CC(=O)c1cc(ccc1N)C=C(C)C 271570a_100102525489_100000695420 [0,2,0,0,0,0|2,0,0]=4 5243 B14R1.705 CC(=O)c1cc(ccc1O)C=C(C)C 271570a_100102525489_100000212127 [0,2,0,0,0,0|1,0,0]=3 5244 B14R1.881 CC(=Cc1cc(c(cc1F)O)C=O)C 271570a_100102525489_100010175118 [0,2,0,0,0,0|2,0,0]=4 5245 B14R1.881 CC(=Cc1cc(c(cc1O)O)C=O)C 271570a_100102525489_200010132312 [0,2,0,0,0,0|2,0,0]=4 5246 B14R1.881 CC(=O)Nc1cc(c(cc1Cl)Cl)O[13CH3] 34a_200000039401_200025704644 [0,2,0,0,0,0|2,0,0]=4 5247 B14R1.881 CC(=O)Nc1cc(c(cc1Cl)Cl)O[13CH3] 7a_200000039401_200025704644 [0,2,0,0,0,0|2,0,0]=4 5248 B14R1.881 CNc1cc(c(cc1N)F)C=C(C)C 271570a_100102525489_100013631271 [0,2,0,0,0,0|2,0,0]=4 5249 B14R1.881 COc1cc(c(cc1Br)Br)C=C(C)C 271570a_100102525489_200014006352 [0,2,0,0,0,0|1,0,0]=3 5250 B14R1.881 COc1cc(c(cc1Br)Br)NC(=O)C 11a_100000718616_100015343762 [0,2,0,0,0,0|2,0,0]=4 5251 B14R1.881 COc1cc(c(cc1Br)Br)NC(=O)C 1626a_100000718616_100015343762 [0,2,0,0,0,0|2,0,0]=4 5252 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 11a_100010232211_100015343762 [0,2,0,0,0,0|2,0,0]=4 5253 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 1626a_100010232211_100015343762 [0,2,0,0,0,0|2,0,0]=4 5254 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 22a_100010232211_100000070787 [0,2,0,0,0,0|2,0,0]=4 5255 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 527a_100010232211_100103153847 [0,2,0,0,0,0|2,0,0]=4 5256 B14R1.881 COc1cc(c(cc1Br)Cl)NC(=O)C 11a_100012361290_100015343762 [0,2,0,0,0,0|2,0,0]=4 5257 B14R1.881 COc1cc(c(cc1Br)Cl)NC(=O)C 1626a_100012361290_100015343762 [0,2,0,0,0,0|2,0,0]=4 5258 B14R1.881 COc1cc(c(cc1C)Br)NC(=O)C 11a_100010244135_100015343762 [0,2,0,0,0,0|2,0,0]=4 5259 B14R1.881 COc1cc(c(cc1C)Br)NC(=O)C 1626a_100010244135_100015343762 [0,2,0,0,0,0|2,0,0]=4 5260 B14R1.881 COc1cc(c(cc1C)N)C=C(C)C 271570a_100102525489_200010584344 [0,2,0,0,0,0|1,0,0]=3 5261 B14R1.881 COc1cc(c(cc1Cl)Br)NC(=O)C 11a_100013022580_100015343762 [0,2,0,0,0,0|2,0,0]=4 5262 B14R1.881 COc1cc(c(cc1Cl)Br)NC(=O)C 1626a_100013022580_100015343762 [0,2,0,0,0,0|2,0,0]=4 5263 B14R1.881 COc1cc(c(cc1Cl)C)NC(=O)C 11a_100009858536_100015343762 [0,2,0,0,0,0|2,0,0]=4 5264 B14R1.881 COc1cc(c(cc1Cl)C)NC(=O)C 1626a_100009858536_100015343762 [0,2,0,0,0,0|2,0,0]=4 5265 B14R1.881 COc1cc(c(cc1Cl)C)NC(=O)C 22a_100009858536_100000070787 [0,2,0,0,0,0|2,0,0]=4 5266 B14R1.881 COc1cc(c(cc1Cl)C)NC(=O)C 527a_100009858536_100103153847 [0,2,0,0,0,0|2,0,0]=4 5267 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C 11a_100011830341_100015343762 [0,2,0,0,0,0|2,0,0]=4 5268 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C 1626a_100011830341_100015343762 [0,2,0,0,0,0|2,0,0]=4 5269 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C 22a_100011830341_100000070787 [0,2,0,0,0,0|2,0,0]=4 5270 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C 34a_200000039401_200000210301 [0,2,0,0,0,0|2,0,0]=4 5271 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C 7a_200000039401_200000210301 [0,2,0,0,0,0|2,0,0]=4 5272 B14R1.881 COc1cc(c(cc1Cl)F)C=C(C)C 271570a_100102525489_100010739614 [0,2,0,0,0,0|1,0,0]=3 5273 B14R1.881 COc1cc(c(cc1Cl)F)NC(=O)C 11a_100009872666_100015343762 [0,2,0,0,0,0|2,0,0]=4 5274 B14R1.881 COc1cc(c(cc1Cl)F)NC(=O)C 1626a_100009872666_100015343762 [0,2,0,0,0,0|2,0,0]=4 5275 B14R1.881 COc1cc(c(cc1Cl)F)NC(=O)C 22a_100009872666_100000070787 [0,2,0,0,0,0|2,0,0]=4 5276 B14R1.881 COc1cc(c(cc1F)Br)NC(=O)C 11a_100010208193_100015343762 [0,2,0,0,0,0|2,0,0]=4 5277 B14R1.881 COc1cc(c(cc1F)Br)NC(=O)C 1626a_100010208193_100015343762 [0,2,0,0,0,0|2,0,0]=4 5278 B14R1.881 COc1cc(c(cc1F)C)C=C(C)C 271570a_100102525489_100011009880 [0,2,0,0,0,0|1,0,0]=3 5279 B14R1.881 COc1cc(c(cc1F)Cl)NC(=O)C 11a_100009958774_100015343762 [0,2,0,0,0,0|2,0,0]=4 5280 B14R1.881 COc1cc(c(cc1F)Cl)NC(=O)C 1626a_100009958774_100015343762 [0,2,0,0,0,0|2,0,0]=4 5281 B14R1.881 COc1cc(c(cc1F)Cl)NC(=O)C 22a_100009958774_100000070787 [0,2,0,0,0,0|2,0,0]=4 5282 B14R1.881 COc1cc(c(cc1F)F)C=C(C)C 271570a_100102525489_200015541288 [0,2,0,0,0,0|1,0,0]=3 5283 B14R1.881 COc1cc(c(cc1F)N)C=C(C)C 271570a_100102525489_100010365326 [0,2,0,0,0,0|1,0,0]=3 5284 B14R1.881 COc1cc(c(cc1N)C)C=C(C)C 271570a_100102525489_100010141321 [0,2,0,0,0,0|1,0,0]=3 5285 B14R1.881 COc1cc(c(cc1N)F)C=C(C)C 271570a_100102525489_100012766639 [0,2,0,0,0,0|1,0,0]=3 5286 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)C 1458a_100009814189_200000210301 [0,2,0,0,0,0|0,0,1]=3 5287 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)[13CH3] 1458a_100009814189_200025704644 [0,2,0,0,0,0|0,0,1]=3 5288 B14R1.881 COc1cc(c(cc1O)F)C=C(C)C 271570a_100102525489_100010189133 [0,2,0,0,0,0|0,0,0]=2 5289 B14R1.881 COc1cc(c(cc1O)F)SC(C)C 62a_100000210206_100010189133 [0,2,0,0,0,0|1,0,1]=4 5290 B14R1.881 COc1cc(c(nc1N)C)C=C(C)C 271570a_100102525489_200010892190 [0,2,0,0,0,0|2,0,0]=4 5291 B14R1.3405 C#CC(C)Nc1ccc(c(c1)OC)O 34a_100000726020_200000035995 [0,2,0,0,0,0|1,0,1]=4 5292 B14R1.3405 C#CC(C)Sc1ccc(c(c1)OC)O 62a_200000035995_100000694246 [0,2,0,0,0,0|1,0,1]=4 5293 B14R1.3405 C=CC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000185746_100010110085 [0,2,0,0,0,0|1,0,1]=4 5294 B14R1.3405 C=CC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000185746_200010214485 [0,2,0,0,0,0|1,0,1]=4 5295 B14R1.3405 C=CC(=O)Cc1ccc(c(c1)OC)F 1458a_100000185746_100012349856 [0,2,0,0,0,0|1,0,1]=4 5296 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Br 1626a_100000765947_100000185746 [0,2,0,0,0,0|1,0,1]=4 5297 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Br 22a_100000765947_100000185746 [0,2,0,0,0,0|1,0,1]=4 5298 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)C 1626a_100011279678_100000185746 [0,2,0,0,0,0|1,0,1]=4 5299 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)C 22a_100011279678_100000185746 [0,2,0,0,0,0|1,0,1]=4 5300 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Cl 1626a_100000742311_100000185746 [0,2,0,0,0,0|1,0,1]=4 5301 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Cl 22a_100000742311_100000185746 [0,2,0,0,0,0|1,0,1]=4 5302 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)F 1626a_100000701188_100000185746 [0,2,0,0,0,0|1,0,1]=4 5303 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)F 22a_100000701188_100000185746 [0,2,0,0,0,0|1,0,1]=4 5304 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)I 1626a_100000746945_100000185746 [0,2,0,0,0,0|1,0,1]=4 5305 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)I 22a_100000746945_100000185746 [0,2,0,0,0,0|1,0,1]=4 5306 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000185746 [0,2,0,0,0,0|0,0,1]=3 5307 B14R1.3405 C=CC(C)Sc1ccc(c(c1)OC)O 62a_100011215867_100000694246 [0,2,0,0,0,0|0,0,2]=4 5308 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000210414_100010110085 [0,2,0,0,0,0|1,0,1]=4 5309 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Br 1458a_200010002685_100000210202 [0,2,0,0,0,0|1,0,1]=4 5310 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000210414_200010214485 [0,2,0,0,0,0|1,0,1]=4 5311 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000117344_100000210202 [0,2,0,0,0,0|1,0,1]=4 5312 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000210414_100012349856 [0,2,0,0,0,0|1,0,1]=4 5313 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100000210202 [0,2,0,0,0,0|0,0,1]=3 5314 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 11a_100000765947_100000210414 [0,2,0,0,0,0|1,0,1]=4 5315 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 1626a_100000765947_100000210414 [0,2,0,0,0,0|1,0,1]=4 5316 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 22a_100000765947_100000210414 [0,2,0,0,0,0|1,0,1]=4 5317 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 527a_100000765947_100000210414 [0,2,0,0,0,0|1,0,1]=4 5318 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 11a_100011279678_100000210414 [0,2,0,0,0,0|1,0,1]=4 5319 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 1626a_100011279678_100000210414 [0,2,0,0,0,0|1,0,1]=4 5320 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 22a_100011279678_100000210414 [0,2,0,0,0,0|1,0,1]=4 5321 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 527a_100011279678_100000210414 [0,2,0,0,0,0|1,0,1]=4 5322 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 11a_100000742311_100000210414 [0,2,0,0,0,0|1,0,1]=4 5323 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 1626a_100000742311_100000210414 [0,2,0,0,0,0|1,0,1]=4 5324 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 22a_100000742311_100000210414 [0,2,0,0,0,0|1,0,1]=4 5325 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 527a_100000742311_100000210414 [0,2,0,0,0,0|1,0,1]=4 5326 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 11a_100000701188_100000210414 [0,2,0,0,0,0|1,0,1]=4 5327 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 1626a_100000701188_100000210414 [0,2,0,0,0,0|1,0,1]=4 5328 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 22a_100000701188_100000210414 [0,2,0,0,0,0|1,0,1]=4 5329 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 527a_100000701188_100000210414 [0,2,0,0,0,0|1,0,1]=4 5330 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 11a_100000746945_100000210414 [0,2,0,0,0,0|1,0,1]=4 5331 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 1626a_100000746945_100000210414 [0,2,0,0,0,0|1,0,1]=4 5332 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 22a_100000746945_100000210414 [0,2,0,0,0,0|1,0,1]=4 5333 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 527a_100000746945_100000210414 [0,2,0,0,0,0|1,0,1]=4 5334 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000210414 [0,2,0,0,0,0|0,0,1]=3 5335 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000210414 [0,2,0,0,0,0|0,0,1]=3 5336 B14R1.3405 CCC(C)Nc1ccc(c(c1)OC)O 34a_100000726020_100011215416 [0,2,0,0,0,0|0,0,2]=4 5337 B14R1.3405 CCC(C)Sc1ccc(c(c1)OC)O 62a_100000758301_100000694246 [0,2,0,0,0,0|0,0,2]=4 5338 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)Br 11a_106832991635_200010002685 [0,2,0,0,0,0|1,0,1]=4 5339 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)Br 240690a_100102657272_200010002685 [0,2,0,0,0,0|1,0,1]=4 5340 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)Br 527a_100102657272_200010002685 [0,2,0,0,0,0|1,0,1]=4 5341 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 11a_106832991635_100000117344 [0,2,0,0,0,0|1,0,1]=4 5342 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 1626a_100102657272_100000117344 [0,2,0,0,0,0|1,0,1]=4 5343 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 240690a_100102657272_100000117344 [0,2,0,0,0,0|1,0,1]=4 5344 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 527a_100102657272_100000117344 [0,2,0,0,0,0|1,0,1]=4 5345 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)O 240690a_100102657272_100000032101 [0,2,0,0,0,0|0,0,1]=3 5346 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)O 527a_100102657272_100000032101 [0,2,0,0,0,0|0,0,1]=3 5347 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)Br 2430a_100000765947_100102657272 [0,2,0,0,0,0|2,0,0]=4 5348 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)C 2430a_100011279678_100102657272 [0,2,0,0,0,0|2,0,0]=4 5349 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)C 512a_100011279678_100102657272 [0,2,0,0,0,0|2,0,0]=4 5350 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)Cl 2430a_100000742311_100102657272 [0,2,0,0,0,0|2,0,0]=4 5351 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)F 2430a_100000701188_100102657272 [0,2,0,0,0,0|2,0,0]=4 5352 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)F 512a_100000701188_100102657272 [0,2,0,0,0,0|2,0,0]=4 5353 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)I 2430a_100000746945_100102657272 [0,2,0,0,0,0|2,0,0]=4 5354 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)I 512a_100000746945_100102657272 [0,2,0,0,0,0|2,0,0]=4 5355 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)O 2430a_100000726020_100102657272 [0,2,0,0,0,0|1,0,0]=3 5356 B14R1.3405 COC(=O)Cc1ccc(c(c1)OC)N 34a_200009957001_200000210301 [0,2,0,0,0,0|1,0,1]=4 5357 B14R1.3405 COC(=O)Cc1ccc(c(c1)O[13CH3])N 34a_200009957001_200025704644 [0,2,0,0,0,0|1,0,1]=4 5358 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)O 62a_100010222482_200000210301 [0,2,0,0,0,0|0,1,1]=4 5359 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)O 62a_200000210301_100010222482 [0,2,0,0,0,0|0,1,1]=4 5360 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010222482_200025704644 [0,2,0,0,0,0|0,1,1]=4 5361 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010222482 [0,2,0,0,0,0|0,1,1]=4 5362 B14R1.3405 COc1cc(ccc1Br)CC(=O)CF 1458a_200010002685_100015361967 [0,2,0,0,0,0|1,0,1]=4 5363 B14R1.3405 COc1cc(ccc1Br)CC(=O)CO 1458a_100000210174_100010110085 [0,2,0,0,0,0|1,0,1]=4 5364 B14R1.3405 COc1cc(ccc1Br)NC(=O)CO 22a_100000765947_100000210174 [0,2,0,0,0,0|2,0,0]=4 5365 B14R1.3405 COc1cc(ccc1Br)NC(=O)CO 527a_100000765947_100000210174 [0,2,0,0,0,0|2,0,0]=4 5366 B14R1.3405 COc1cc(ccc1C)C=C(C)C#N 6a_100000719150_200000212204 [0,2,0,0,0,0|1,0,0]=3 5367 B14R1.3405 COc1cc(ccc1C)C=C(F)C#N 6a_100000719150_200000032654 [0,2,0,0,0,0|1,0,1]=4 5368 B14R1.3405 COc1cc(ccc1C)NC(=O)CO 22a_100011279678_100000210174 [0,2,0,0,0,0|2,0,0]=4 5369 B14R1.3405 COc1cc(ccc1C)NC(=O)CO 527a_100011279678_100000210174 [0,2,0,0,0,0|2,0,0]=4 5370 B14R1.3405 COc1cc(ccc1Cl)C=C(C)C#N 6a_100011998524_200000212204 [0,2,0,0,0,0|1,0,0]=3 5371 B14R1.3405 COc1cc(ccc1Cl)C=C(F)C#N 6a_100011998524_200000032654 [0,2,0,0,0,0|1,0,1]=4 5372 B14R1.3405 COc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_200010214485 [0,2,0,0,0,0|1,0,1]=4 5373 B14R1.3405 COc1cc(ccc1Cl)NC(=O)CO 22a_100000742311_100000210174 [0,2,0,0,0,0|2,0,0]=4 5374 B14R1.3405 COc1cc(ccc1Cl)NC(=O)CO 527a_100000742311_100000210174 [0,2,0,0,0,0|2,0,0]=4 5375 B14R1.3405 COc1cc(ccc1F)C=C(C)C#N 6a_100000692873_200000212204 [0,2,0,0,0,0|1,0,0]=3 5376 B14R1.3405 COc1cc(ccc1F)C=C(F)C#N 6a_100000692873_200000032654 [0,2,0,0,0,0|1,0,1]=4 5377 B14R1.3405 COc1cc(ccc1F)CC(=O)CF 1458a_100000117344_100015361967 [0,2,0,0,0,0|1,0,1]=4 5378 B14R1.3405 COc1cc(ccc1F)CC(=O)CO 1458a_100000210174_100012349856 [0,2,0,0,0,0|1,0,1]=4 5379 B14R1.3405 COc1cc(ccc1F)NC(=O)CO 22a_100000701188_100000210174 [0,2,0,0,0,0|2,0,0]=4 5380 B14R1.3405 COc1cc(ccc1F)NC(=O)CO 527a_100000701188_100000210174 [0,2,0,0,0,0|2,0,0]=4 5381 B14R1.3405 COc1cc(ccc1I)NC(=O)CO 22a_100000746945_100000210174 [0,2,0,0,0,0|2,0,0]=4 5382 B14R1.3405 COc1cc(ccc1I)NC(=O)CO 527a_100000746945_100000210174 [0,2,0,0,0,0|2,0,0]=4 5383 B14R1.3405 COc1cc(ccc1O)CC(=O)CF 1458a_100000032101_100015361967 [0,2,0,0,0,0|0,0,1]=3 5384 B14R1.3405 COc1cc(ccc1O)NC(=O)CO 22a_100000726020_100000210174 [0,2,0,0,0,0|1,0,0]=3 5385 B14R1.3405 COc1cc(ccc1O)NC(=O)CO 527a_100000726020_100000210174 [0,2,0,0,0,0|1,0,0]=3 5386 B14R1.3405 COc1cc(ccc1O)NC(C)CO 34a_100000726020_100012180447 [0,2,0,0,0,0|1,0,1]=4 5387 B14R1.3405 COc1cc(ccc1O)SC(C)C#N 62a_100000703298_100000694246 [0,2,0,0,0,0|1,0,1]=4 5388 B14R1.3405 COc1cc(ccc1O)SC(C)CO 62a_100012180447_100000694246 [0,2,0,0,0,0|1,0,1]=4 5389 B14R1.3405 COc1cc(ccc1O)SC(C)OC 62a_100009879195_100000694246 [0,2,0,0,0,0|1,0,1]=4 5390 B14R1.3405 COc1cc(ccc1O)S[C@H](C)CO 62a_100016084084_100000694246 [0,2,0,0,0,0|1,0,1]=4 5391 B14R1.3412 COc1cc(ccc1O)NC(C)(C)C 34a_100000726020_100000210625 [0,2,0,0,0,0|1,0,1]=4 5392 B14R1.3412 COc1cc(ccc1O)NS(=O)(=O)C 40a_100000726020_100000738038 [0,2,0,0,0,0|2,0,0]=4 5393 B14R1.3412 COc1cc(ccc1O)SC(C)(C)C 62a_100000211941_100000694246 [0,2,0,0,0,0|1,0,1]=4 5394 B14R1.3651 CC(=Cc1ccc(c(c1)CO)CO)C 271570a_100102525489_100000719600 [0,2,0,0,0,0|2,0,0]=4 5395 B14R1.3651 CCc1cc(ccc1C=O)C=C(C)C 271570a_100102525489_100010209654 [0,2,0,0,0,0|1,0,1]=4 5396 B14R1.3651 CCc1cc(ccc1NN)C=C(C)C 271570a_100102525489_100000700371 [0,2,0,0,0,0|2,0,0]=4 5397 B14R1.3651 CCc1cc(ccc1OC)C=C(C)C 271570a_100102525489_200010179862 [0,2,0,0,0,0|1,0,0]=3 5398 B14R1.3651 CCc1ccc(cc1OC)C=C(C)C 271570a_100102525489_200010710398 [0,2,0,0,0,0|1,0,0]=3 5399 B14R1.3651 CNc1cc(ccc1C#N)C=C(C)C 271570a_100102525489_200012356631 [0,2,0,0,0,0|2,0,0]=4 5400 B14R1.3651 CNc1cc(ccc1OC)NC(=O)C 34a_100000211725_200000210301 [0,2,0,0,0,0|2,0,0]=4 5401 B14R1.3651 COc1cc(ccc1C#N)C=C(C)C 271570a_100102525489_100000694671 [0,2,0,0,0,0|1,0,0]=3 5402 B14R1.3651 COc1cc(ccc1C#N)NC(=O)C 11a_100011999456_100015343762 [0,2,0,0,0,0|2,0,0]=4 5403 B14R1.3651 COc1cc(ccc1C#N)NC(=O)C 1626a_100011999456_100015343762 [0,2,0,0,0,0|2,0,0]=4 5404 B14R1.3651 COc1cc(ccc1C#N)NC(=O)C 527a_100011999456_100103153847 [0,2,0,0,0,0|2,0,0]=4 5405 B14R1.3651 COc1cc(ccc1C=O)C=C(C)C 271570a_100102525489_100000697075 [0,2,0,0,0,0|0,0,1]=3 5406 B14R1.3651 COc1cc(ccc1CO)C=C(C)C 271570a_100102525489_100011277633 [0,2,0,0,0,0|0,0,0]=2 5407 B14R1.3651 COc1cc(ccc1CO)NC(=O)C 22a_100012183141_100000070787 [0,2,0,0,0,0|1,0,0]=3 5408 B14R1.3651 COc1cc(ccc1CO)NC(C)C 34a_100012183141_100000210206 [0,2,0,0,0,0|1,0,1]=4 5409 B14R1.3651 COc1cc(ccc1CO)OC(C)C 34a_200000116926_100000210206 [0,2,0,0,0,0|1,0,1]=4 5410 B14R1.3651 COc1cc(ccc1CO)SC(C)C 62a_100000210206_100011277633 [0,2,0,0,0,0|1,0,1]=4 5411 B14R1.3651 COc1cc(ccc1CO)SC(C)C 62a_100011277633_100000210206 [0,2,0,0,0,0|1,0,1]=4 5412 B14R1.3651 COc1cc(ccc1O[13CH3])CC(=O)C 34a_200000039568_200025704644 [0,2,0,0,0,0|0,0,1]=3 5413 B14R1.3651 COc1cc(ccc1SC)C=C(C)C 271570a_100102525489_200011001119 [0,2,0,0,0,0|0,1,0]=3 5414 B14R1.3651 COc1cc(cnc1C#N)C=C(C)C 271570a_100102525489_100000719880 [0,2,0,0,0,0|2,0,0]=4 5415 B14R1.3651 COc1cc(cnc1C=O)C=C(C)C 271570a_100102525489_100010246152 [0,2,0,0,0,0|1,0,1]=4 5416 B14R1.3651 COc1cc(cnc1CO)C=C(C)C 271570a_100102525489_200010246159 [0,2,0,0,0,0|1,0,0]=3 5417 B14R1.3651 COc1cc(cnc1OC)C=C(C)C 271570a_100102525489_100010234541 [0,2,0,0,0,0|1,0,0]=3 5418 B14R1.3651 COc1cc(ncc1C#N)C=C(C)C 271570a_100102525489_100009830018 [0,2,0,0,0,0|2,0,0]=4 5419 B14R1.3651 COc1cc(ncc1CO)C=C(C)C 271570a_100102525489_100010714672 [0,2,0,0,0,0|1,0,0]=3 5420 B14R1.3651 COc1cc(nnc1OC)C=C(C)C 271570a_100102525489_200000095610 [0,2,0,0,0,0|2,0,0]=4 5421 B14R1.3651 COc1ccc(cc1C#N)C=C(C)C 271570a_100102525489_100000188252 [0,2,0,0,0,0|2,0,0]=4 5422 B14R1.3651 COc1ccc(cc1C=O)C=C(C)C 271570a_100102525489_100000170026 [0,2,0,0,0,0|2,0,0]=4 5423 B14R1.3651 COc1ccc(cc1CN)C=C(C)C 271570a_100102525489_100000690498 [0,2,0,0,0,0|2,0,0]=4 5424 B14R1.3651 COc1ccc(cc1CO)C=C(C)C 271570a_100102525489_100000204679 [0,2,0,0,0,0|2,0,0]=4 5425 B14R1.3651 COc1ccc(cc1N[13CH3])NC(=O)C 34a_100000211725_200025704644 [0,2,0,0,0,0|2,0,0]=4 5426 B14R1.3651 COc1ccc(cc1OC)C=C(C)C 271570a_100102525489_100000187503 [0,2,0,0,0,0|0,0,0]=2 5427 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 1458a_100000184093_200000210301 [0,2,0,0,0,0|0,0,1]=3 5428 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 34a_200000039568_200000210301 [0,2,0,0,0,0|0,0,1]=3 5429 B14R1.3651 COc1ccc(cc1OC)CC(=O)[13CH3] 1458a_100000184093_200025704644 [0,2,0,0,0,0|0,0,1]=3 5430 B14R1.3651 COc1ccc(cc1OC)CN(C)C 2230a_100000180827_200000210301 [0,2,0,0,0,0|1,0,1]=4 5431 B14R1.3651 COc1ccc(cc1OC)CN(C)C 2230a_100102631434_100011233839 [0,2,0,0,0,0|1,0,1]=4 5432 B14R1.3651 COc1ccc(cc1OC)CN(C)C 269982a_100000180827_200000210301 [0,2,0,0,0,0|1,0,1]=4 5433 B14R1.3651 COc1ccc(cc1OC)CN(C)C 269982a_100102631434_100011233839 [0,2,0,0,0,0|1,0,1]=4 5434 B14R1.3651 COc1ccc(cc1OC)CN(C)C 270004a_100102631434_100000170513 [0,2,0,0,0,0|1,0,1]=4 5435 B14R1.3651 COc1ccc(cc1OC)CN(C)[13CH3] 2230a_100000180827_200025704644 [0,2,0,0,0,0|1,0,1]=4 5436 B14R1.3651 COc1ccc(cc1OC)CN(C)[13CH3] 269982a_100000180827_200025704644 [0,2,0,0,0,0|1,0,1]=4 5437 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 11a_100000187404_100015343762 [0,2,0,0,0,0|1,0,0]=3 5438 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 1626a_100000187404_100015343762 [0,2,0,0,0,0|1,0,0]=3 5439 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 22a_100000187404_100000070787 [0,2,0,0,0,0|1,0,0]=3 5440 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 527a_100000187404_100103153847 [0,2,0,0,0,0|1,0,0]=3 5441 B14R1.3651 COc1ccc(cc1OC)NC(C)C 34a_100000187404_100000210206 [0,2,0,0,0,0|1,0,1]=4 5442 B14R1.3651 COc1ccc(cc1OC)OC(C)C 34a_100000039706_100000210206 [0,2,0,0,0,0|1,0,1]=4 5443 B14R1.3651 COc1ccc(cc1OC)SC(C)C 62a_100000210206_100011356967 [0,2,0,0,0,0|1,0,1]=4 5444 B14R1.3651 COc1ccc(cc1SC)C=C(C)C 271570a_100102525489_200009892704 [0,2,0,0,0,0|0,1,0]=3 5445 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_100011493462_200000210301 [0,2,0,0,0,0|0,1,1]=4 5446 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_200000210301_100011493462 [0,2,0,0,0,0|0,1,1]=4 5447 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_100011493462_200025704644 [0,2,0,0,0,0|0,1,1]=4 5448 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_200025704644_100011493462 [0,2,0,0,0,0|0,1,1]=4 5449 B14R1.3651 COc1ccc(nc1OC)C=C(C)C 271570a_100102525489_100010214848 [0,2,0,0,0,0|1,0,0]=3 5450 B14R1.3651 COc1cnc(nc1OC)C=C(C)C 271570a_100102525489_100010280452 [0,2,0,0,0,0|2,0,0]=4 5451 B14R1.3651 COc1nc(ccc1C#N)C=C(C)C 271570a_100102525489_100000708423 [0,2,0,0,0,0|2,0,0]=4 5452 B14R1.3651 COc1nc(ccc1C=O)C=C(C)C 271570a_100102525489_100009864722 [0,2,0,0,0,0|1,0,1]=4 5453 B14R1.3651 COc1nc(ccc1CN)C=C(C)C 271570a_100102525489_100015687481 [0,2,0,0,0,0|2,0,0]=4 5454 B14R1.3651 COc1nc(ccc1CO)C=C(C)C 271570a_100102525489_100010988397 [0,2,0,0,0,0|1,0,0]=3 5455 B14R1.3651 COc1nc(ncc1CO)C=C(C)C 271570a_100102525489_200011024631 [0,2,0,0,0,0|2,0,0]=4 5456 B14R1.3651 COc1ncc(nc1OC)C=C(C)C 271570a_100102525489_100010132954 [0,2,0,0,0,0|2,0,0]=4 5457 B14R1.4106 COc1c(ccc(c1F)C=C(C)C)Cl 271570a_100102525489_200135222481 [0,2,0,0,0,0|1,0,0]=3 5458 B14R1.4106 COc1c(ccc(c1F)C=C(C)C)N 271570a_100102525489_100010734149 [0,2,0,0,0,0|1,0,0]=3 5459 B14R1.4106 COc1c(ccc(c1F)CC(=O)C)Cl 1458a_100000070787_100010116237 [0,2,0,0,0,0|1,0,1]=4 5460 B14R1.4106 COc1c(ccc(c1F)CC(=O)C)F 1458a_100000070787_100009814548 [0,2,0,0,0,0|1,0,1]=4 5461 B14R1.4106 COc1c(ccc(c1F)NC(=O)C)F 11a_100137314619_100015343762 [0,2,0,0,0,0|2,0,0]=4 5462 B14R1.4106 COc1c(ccc(c1F)NC(=O)C)F 1626a_100137314619_100015343762 [0,2,0,0,0,0|2,0,0]=4 5463 B14R1.4106 COc1c(ccc(c1F)NC(=O)C)F 22a_100137314619_100000070787 [0,2,0,0,0,0|2,0,0]=4 5464 B14R1.4106 COc1c(ccc(c1F)NC(=O)C)F 527a_100137314619_100103153847 [0,2,0,0,0,0|2,0,0]=4 5465 B14R1.4106 CSc1c(ccc(c1F)C=C(C)C)F 271570a_100102525489_202125771753 [0,2,0,0,0,0|1,1,0]=4 5466 B14R1.489 CC=Cc1ccc(c(c1)CC(=O)C)O 271570a_100016259895_200010006938 [0,2,0,0,0,0|1,0,0]=3 5467 B14R1.489 CC=Cc1ccc(c(c1)CN(C)C)F 271570a_100016259895_100011597561 [0,2,0,0,0,0|2,0,0]=4 5468 B14R1.489 CC=Cc1ccc(c(c1)NC(=O)C)C 271570a_100016259895_100011344836 [0,2,0,0,0,0|2,0,0]=4 5469 B14R1.489 CC=Cc1ccc(c(c1)NC(=O)C)F 271570a_100016259895_200011951791 [0,2,0,0,0,0|2,0,0]=4 5470 B14R1.489 CC=Cc1ccc(c(c1)NC(C)C)C 271570a_100016259895_200000714908 [0,2,0,0,0,0|2,0,0]=4 5471 B14R1.489 CC=Cc1ccc(c(c1)OC(=O)C)C 271570a_100016259895_100103282185 [0,2,0,0,0,0|1,0,0]=3 5472 B14R1.489 CC=Cc1ccc(c(c1)OC(C)C)C 271570a_100016259895_200012359587 [0,2,0,0,0,0|1,0,0]=3 5473 B14R1.489 CC=Cc1ccc(c(c1)OC(C)C)F 271570a_100016259895_200012350295 [0,2,0,0,0,0|1,0,0]=3 5474 B14R1.489 CC=Cc1ccc(c(c1)OC(F)F)F 271570a_100016259895_100012359426 [0,2,0,0,0,0|1,0,0]=3 5475 B14R1.489 CC=Cc1ccc(c(c1)OC(F)F)N 271570a_100016259895_100010212277 [0,2,0,0,0,0|1,0,0]=3 5476 B14R1.489 CC=Cc1cnc(c(c1)OC(C)C)F 271570a_100016259895_200010713186 [0,2,0,0,0,0|2,0,0]=4 5477 B14R1.489 CC=Cc1cnc(c(c1)OC(F)F)N 271570a_100016259895_100010069457 [0,2,0,0,0,0|2,0,0]=4 5478 B14R1.761 CC=Cc1ccc(c(c1)/C=N/OC)F 271570a_100016259895_200009812721 [0,2,0,0,0,0|1,0,0]=3 5479 B14R1.761 CC=Cc1ccc(c(c1)CNCC)F 271570a_100016259895_100000748473 [0,2,0,0,0,0|2,0,0]=4 5480 B14R1.761 CC=Cc1ccc(c(c1)CNCC)O 271570a_100016259895_100000765307 [0,2,0,0,0,0|1,0,0]=3 5481 B14R1.791 CCNCc1ccc(c(c1)OCC)O 34a_200000751567_100000210202 [0,2,0,0,0,0|0,0,2]=4 5482 B14R1.791 CCOc1cc(ccc1O)CNCF 34a_200000751567_100015361967 [0,2,0,0,0,0|1,0,1]=4 5483 B14R1.3235 CC=Cc1cc(c(c(c1)OCC)F)F 271570a_100016259895_200012359421 [0,2,0,0,0,0|1,0,0]=3 5484 B14R1.6787 C=C=Cc1ccc(c(c1)COC)OC 271570a_100015277604_200011493686 [0,2,0,0,0,0|0,0,2]=4 5485 B14R1.6787 C=C=Cc1ccc(c(c1)OCC)OC 271570a_100015277604_200010219349 [0,2,0,0,0,0|0,0,2]=4 5486 B14R1.6787 CC=Cc1cc(c(cn1)CO)NCC 271570a_100016259895_100009950477 [0,2,0,0,0,0|2,0,0]=4 5487 B14R1.6787 CC=Cc1ccc(c(c1)CC#N)OC 271570a_100016259895_200011218486 [0,2,0,0,0,0|1,0,1]=4 5488 B14R1.6787 CC=Cc1ccc(c(c1)CCN)OC 271570a_100016259895_100000763266 [0,2,0,0,0,0|1,0,0]=3 5489 B14R1.6787 CC=Cc1ccc(c(c1)CNC)OC 271570a_100016259895_100000690607 [0,2,0,0,0,0|1,0,0]=3 5490 B14R1.6787 CC=Cc1ccc(c(c1)COC)OC 271570a_100016259895_200011493686 [0,2,0,0,0,0|0,0,0]=2 5491 B14R1.6787 CC=Cc1ccc(c(c1)OCC)C#N 271570a_100016259895_100013120067 [0,2,0,0,0,0|1,0,0]=3 5492 B14R1.6787 CC=Cc1ccc(c(c1)OCC)OC 271570a_100016259895_200010219349 [0,2,0,0,0,0|0,0,0]=2 5493 B14R1.6787 CC=Cc1ncc(c(n1)OCC)OC 271570a_100016259895_200010280453 [0,2,0,0,0,0|2,0,0]=4 5494 B14R1.6787 CCOc1cc(ccc1OC)CNC 207a_100102657272_100000170514 [0,2,0,0,0,0|1,0,1]=4 5495 B14R1.6787 CCOc1cc(ccc1OC)CNC 2230a_100000755831_200000210301 [0,2,0,0,0,0|1,0,1]=4 5496 B14R1.6787 CCOc1cc(ccc1OC)CNC 270004a_106832991635_100000170514 [0,2,0,0,0,0|1,0,1]=4 5497 B14R1.6787 CCOc1cc(ccc1OC)CNC 34a_100000188468_100000210202 [0,2,0,0,0,0|1,0,1]=4 5498 B14R1.6787 CCOc1cc(ccc1OC)CNC 34a_100000755831_200000210301 [0,2,0,0,0,0|1,0,1]=4 5499 B14R1.6787 CCOc1cc(ccc1OC)CN[13CH3] 2230a_100000755831_200025704644 [0,2,0,0,0,0|1,0,1]=4 5500 B14R1.6787 CCOc1cc(ccc1OC)CN[13CH3] 34a_100000755831_200025704644 [0,2,0,0,0,0|1,0,1]=4 5501 B14R1.6787 CCSc1ccc(c(c1)COC)OC 62a_100000210202_200011493686 [0,2,0,0,0,0|1,0,1]=4 5502 B14R1.6787 CCSc1ccc(c(c1)COC)OC 62a_200011493686_100000210202 [0,2,0,0,0,0|1,0,1]=4 5503 B14R1.6787 CNCc1ccc(c(c1)COC)OC 207a_100102657272_100000708483 [0,2,0,0,0,0|1,0,1]=4 5504 B14R1.6787 CNCc1ccc(c(c1)COC)OC 270004a_106832991635_100000708483 [0,2,0,0,0,0|1,0,1]=4 5505 B14R1.6787 CNCc1ccc(c(c1)OCF)OC 34a_100000188468_100015361967 [0,2,0,0,0,0|1,0,1]=4 5506 B14R1.6795 C=C=Cc1ccc(c(c1)C(=O)OC)O 271570a_100015277604_100000149868 [0,2,0,0,0,0|0,0,2]=4 5507 B14R1.6795 CC=Cc1c[nH]c(=O)c(c1)C(=O)OC 271570a_100016259895_100009816710 [0,2,0,0,0,0|1,0,1]=4 5508 B14R1.6795 CC=Cc1cc(c(cn1)C)C(=O)OC 271570a_100016259895_100009858526 [0,2,0,0,0,0|2,0,0]=4 5509 B14R1.6795 CC=Cc1cc(c(cn1)F)C(=O)OC 271570a_100016259895_100010218257 [0,2,0,0,0,0|2,0,0]=4 5510 B14R1.6795 CC=Cc1cc(c(cn1)N)C(=O)OC 271570a_100016259895_100012180746 [0,2,0,0,0,0|2,0,0]=4 5511 B14R1.6795 CC=Cc1cc(c(cn1)O)C(=O)OC 271570a_100016259895_100010136202 [0,2,0,0,0,0|1,0,0]=3 5512 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)CC)O 271570a_100016259895_100000183607 [0,2,0,0,0,0|1,0,0]=3 5513 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)NC)F 271570a_100016259895_100000155058 [0,2,0,0,0,0|2,0,0]=4 5514 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)NC)N 271570a_100016259895_100000690504 [0,2,0,0,0,0|2,0,0]=4 5515 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)NN)O 271570a_100016259895_100000193350 [0,2,0,0,0,0|2,0,0]=4 5516 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)OC)Br 271570a_100016259895_100012340073 [0,2,0,0,0,0|1,0,0]=3 5517 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)OC)C 271570a_100016259895_100012360116 [0,2,0,0,0,0|1,0,0]=3 5518 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)OC)Cl 271570a_100016259895_100012353682 [0,2,0,0,0,0|1,0,0]=3 5519 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)OC)F 271570a_100016259895_100000154357 [0,2,0,0,0,0|1,0,0]=3 5520 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)OC)N 271570a_100016259895_100000212070 [0,2,0,0,0,0|1,0,0]=3 5521 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)OC)O 271570a_100016259895_100000149868 [0,2,0,0,0,0|0,0,0]=2 5522 B14R1.6795 CC=Cc1ccc(c(c1)[C@H](N)CO)F 271570a_100016259895_100010142275 [0,2,0,0,0,0|2,0,0]=4 5523 B14R1.6795 CC=Cc1ccc(c(n1)C(=O)OC)C 271570a_100016259895_100000117997 [0,2,0,0,0,0|2,0,0]=4 5524 B14R1.6795 CC=Cc1ccc(c(n1)C(=O)OC)F 271570a_100016259895_100000697719 [0,2,0,0,0,0|2,0,0]=4 5525 B14R1.6795 CC=Cc1ccc(c(n1)C(=O)OC)N 271570a_100016259895_100009860768 [0,2,0,0,0,0|2,0,0]=4 5526 B14R1.6795 CC=Cc1ccc(c(n1)C(=O)OC)O 271570a_100016259895_100000697862 [0,2,0,0,0,0|1,0,0]=3 5527 B14R1.6795 CC=Cc1cnc(c(c1)C(=O)OC)C 271570a_100016259895_100010180201 [0,2,0,0,0,0|2,0,0]=4 5528 B14R1.6795 CC=Cc1cnc(c(c1)C(=O)OC)F 271570a_100016259895_100010243567 [0,2,0,0,0,0|2,0,0]=4 5529 B14R1.6795 CC=Cc1cnc(c(c1)C(=O)OC)N 271570a_100016259895_100009816750 [0,2,0,0,0,0|2,0,0]=4 5530 B14R1.6795 CCSc1ccc(c(c1)C(=O)OC)O 62a_100000210202_100000149868 [0,2,0,0,0,0|1,0,1]=4 5531 B14R1.492 C=C=Cc1ccc(c(c1)OC)B(O)O 271570a_100015277604_100010245881 [0,2,0,0,0,0|0,0,2]=4 5532 B14R1.492 CC=Cc1ccc(c(c1)CC)B(O)O 271570a_100016259895_200010732553 [0,2,0,0,0,0|1,0,0]=3 5533 B14R1.492 CC=Cc1ccc(c(c1)OC)B(O)O 271570a_100016259895_100010245881 [0,2,0,0,0,0|0,0,0]=2 5534 B14R1.492 CC=Cc1ccc(c(c1)OC)C(=O)C 271570a_100016259895_100000709911 [0,2,0,0,0,0|0,0,1]=3 5535 B14R1.492 CC=Cc1ccc(c(c1)OC)C(=O)N 271570a_100016259895_100000748320 [0,2,0,0,0,0|0,0,1]=3 5536 B14R1.492 CC=Cc1ccc(c(c1)OC)C(F)F 271570a_100016259895_100010146106 [0,2,0,0,0,0|1,0,0]=3 5537 B14R1.492 CC=Cc1ccc(c(n1)OC)B(O)O 271570a_100016259895_100010143858 [0,2,0,0,0,0|1,0,0]=3 5538 B14R1.492 CC=Cc1cnc(c(c1)OC)C(=O)C 271570a_100016259895_100010137934 [0,2,0,0,0,0|1,0,1]=4 5539 B14R1.492 CCSc1ccc(c(c1)OC)B(O)O 62a_100010245881_100000210202 [0,2,0,0,0,0|1,0,1]=4 5540 B14R1.793 C=CCNc1ccc(c(c1)OC)CO 34a_100012183141_100015514636 [0,2,0,0,0,0|0,0,2]=4 5541 B14R1.793 C=CCNc1ccc(c(c1)OC)OC 34a_100000187404_100015514636 [0,2,0,0,0,0|0,0,2]=4 5542 B14R1.793 C=CCOc1ccc(c(c1)OC)CO 34a_200000116926_100015514636 [0,2,0,0,0,0|0,0,2]=4 5543 B14R1.793 C=CCOc1ccc(c(c1)OC)OC 34a_100000039706_100015514636 [0,2,0,0,0,0|0,0,2]=4 5544 B14R1.793 C=CCSc1ccc(c(c1)OC)CO 62a_100000210623_100011277633 [0,2,0,0,0,0|0,0,2]=4 5545 B14R1.793 C=CCSc1ccc(c(c1)OC)CO 62a_100011277633_100000210623 [0,2,0,0,0,0|0,0,2]=4 5546 B14R1.793 C=CCSc1ccc(c(c1)OC)OC 62a_100000210623_100011356967 [0,2,0,0,0,0|0,0,2]=4 5547 B14R1.793 CC=NNc1ccc(c(c1)OC)OC 4a_100000071703_200000210099 [0,2,0,0,0,0|1,0,0]=3 5548 B14R1.793 CCCCc1ccc(c(c1)OC)CO 271570a_100020621405_100011277633 [0,2,0,0,0,0|0,0,2]=4 5549 B14R1.793 CCCCc1ccc(c(c1)OC)OC 271570a_100020621405_100000187503 [0,2,0,0,0,0|0,0,2]=4 5550 B14R1.793 CCCNc1ccc(c(c1)OC)CO 34a_100012183141_100000210303 [0,2,0,0,0,0|0,0,2]=4 5551 B14R1.793 CCCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210303 [0,2,0,0,0,0|0,0,2]=4 5552 B14R1.793 CCCOc1ccc(c(c1)OC)CO 34a_200000116926_100000210303 [0,2,0,0,0,0|0,0,2]=4 5553 B14R1.793 CCCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210303 [0,2,0,0,0,0|0,0,2]=4 5554 B14R1.793 CCCSc1ccc(c(c1)OC)CO 62a_100000210303_100011277633 [0,2,0,0,0,0|0,0,2]=4 5555 B14R1.793 CCCSc1ccc(c(c1)OC)CO 62a_100011277633_100000210303 [0,2,0,0,0,0|0,0,2]=4 5556 B14R1.793 CCCSc1ccc(c(c1)OC)OC 62a_100000210303_100011356967 [0,2,0,0,0,0|0,0,2]=4 5557 B14R1.793 CCNCc1ccc(c(c1)OC)OC 207a_100015525214_100000170513 [0,2,0,0,0,0|0,0,2]=4 5558 B14R1.793 CCNCc1ccc(c(c1)OC)OC 2230a_100015525214_100011233839 [0,2,0,0,0,0|0,0,2]=4 5559 B14R1.793 CCNCc1ccc(c(c1)OC)OC 270004a_100015525214_100000170513 [0,2,0,0,0,0|0,0,2]=4 5560 B14R1.793 CCNCc1ccc(c(c1)OC)OC 34a_100000185555_100000210202 [0,2,0,0,0,0|0,0,2]=4 5561 B14R1.793 CCOCc1ccc(c(c1)OC)OC 34a_100000083705_200000210301 [0,2,0,0,0,0|0,0,2]=4 5562 B14R1.793 CCOCc1ccc(c(c1)OC)OC 34a_100000210929_100000210202 [0,2,0,0,0,0|0,0,2]=4 5563 B14R1.793 CCOCc1ccc(c(c1)OC)OC 7a_100000083705_200000210301 [0,2,0,0,0,0|0,0,2]=4 5564 B14R1.793 CCOCc1ccc(c(c1)OC)O[13CH3] 34a_100000083705_200025704644 [0,2,0,0,0,0|0,0,2]=4 5565 B14R1.793 CCOCc1ccc(c(c1)OC)O[13CH3] 7a_100000083705_200025704644 [0,2,0,0,0,0|0,0,2]=4 5566 B14R1.793 CCSCc1ccc(c(c1)OC)OC 62a_100000210202_100011233839 [0,2,0,0,0,0|0,0,2]=4 5567 B14R1.793 CNCCc1ccc(c(c1)OC)OC 2230a_100000210947_200000210301 [0,2,0,0,0,0|0,0,2]=4 5568 B14R1.793 CNCCc1ccc(c(c1)OC)OC 2230a_106832991635_100011273988 [0,2,0,0,0,0|0,0,2]=4 5569 B14R1.793 CNCCc1ccc(c(c1)OC)OC 270004a_106832991635_100011754369 [0,2,0,0,0,0|0,0,2]=4 5570 B14R1.793 CNCCc1ccc(c(c1)OC)OC 34a_100000210947_200000210301 [0,2,0,0,0,0|0,0,2]=4 5571 B14R1.793 CNCCc1ccc(c(c1)OC)OC 34a_100102657272_100011273988 [0,2,0,0,0,0|0,0,2]=4 5572 B14R1.793 CNCCc1ccc(c(c1)OC)OC 7a_106832991635_100011740610 [0,2,0,0,0,0|0,0,2]=4 5573 B14R1.793 COCCc1ccc(c(c1)OC)OC 34a_100011215274_200000210301 [0,2,0,0,0,0|0,0,2]=4 5574 B14R1.793 COCCc1ccc(c(c1)OC)OC 34a_100138415774_100011273988 [0,2,0,0,0,0|0,0,2]=4 5575 B14R1.793 COCSc1ccc(c(c1)OC)CO 62a_100000766300_100011277633 [0,2,0,0,0,0|1,0,1]=4 5576 B14R1.793 COCSc1ccc(c(c1)OC)CO 62a_100011277633_100000766300 [0,2,0,0,0,0|1,0,1]=4 5577 B14R1.793 COCSc1ccc(c(c1)OC)OC 62a_100000766300_100011356967 [0,2,0,0,0,0|1,0,1]=4 5578 B14R1.793 COc1cc(ccc1CO)NCC=O 34a_100012183141_200009817547 [0,2,0,0,0,0|1,0,1]=4 5579 B14R1.793 COc1cc(ccc1CO)NCCF 34a_100012183141_100011217306 [0,2,0,0,0,0|1,0,1]=4 5580 B14R1.793 COc1cc(ccc1CO)NCCO 34a_100012183141_100000211926 [0,2,0,0,0,0|1,0,1]=4 5581 B14R1.793 COc1cc(ccc1CO)NCSC 34a_100012183141_100011218213 [0,2,0,0,0,0|1,0,1]=4 5582 B14R1.793 COc1cc(ccc1CO)OCC=O 34a_200000116926_200009817547 [0,2,0,0,0,0|1,0,1]=4 5583 B14R1.793 COc1cc(ccc1CO)OCCF 34a_200000116926_100011217306 [0,2,0,0,0,0|1,0,1]=4 5584 B14R1.793 COc1cc(ccc1CO)OCCO 34a_200000116926_100000211926 [0,2,0,0,0,0|1,0,1]=4 5585 B14R1.793 COc1cc(ccc1CO)OCSC 34a_200000116926_100011218213 [0,2,0,0,0,0|1,0,1]=4 5586 B14R1.793 COc1cc(ccc1CO)SCC=O 62a_100011277633_200015260668 [0,2,0,0,0,0|1,0,1]=4 5587 B14R1.793 COc1cc(ccc1CO)SCC=O 62a_200015260668_100011277633 [0,2,0,0,0,0|1,0,1]=4 5588 B14R1.793 COc1cc(ccc1CO)SCCF 62a_100011217306_100011277633 [0,2,0,0,0,0|1,0,1]=4 5589 B14R1.793 COc1cc(ccc1CO)SCCF 62a_100011277633_100011217306 [0,2,0,0,0,0|1,0,1]=4 5590 B14R1.793 COc1cc(ccc1CO)SCCO 62a_100000211926_100011277633 [0,2,0,0,0,0|1,0,1]=4 5591 B14R1.793 COc1cc(ccc1CO)SCCO 62a_100011277633_100000211926 [0,2,0,0,0,0|1,0,1]=4 5592 B14R1.793 COc1cc(ccc1CO)SCSC 62a_100011218213_100011277633 [0,2,0,0,0,0|1,0,1]=4 5593 B14R1.793 COc1cc(ccc1CO)SCSC 62a_100011277633_100011218213 [0,2,0,0,0,0|1,0,1]=4 5594 B14R1.793 COc1cc(ccc1O[13CH3])/C=C\CO 34a_100016294963_200025704644 [0,2,0,0,0,0|0,0,0]=2 5595 B14R1.793 COc1cc(ccc1O[13CH3])CCCO 34a_100000060467_200025704644 [0,2,0,0,0,0|0,0,2]=4 5596 B14R1.793 COc1cc(ccc1O[13CH3])CCCO 7a_100000060467_200025704644 [0,2,0,0,0,0|0,0,2]=4 5597 B14R1.793 COc1ccc(cc1OC)/C=C/CO 34a_100102524974_200000210301 [0,2,0,0,0,0|0,0,0]=2 5598 B14R1.793 COc1ccc(cc1OC)/C=C\CO 34a_100016294963_200000210301 [0,2,0,0,0,0|0,0,0]=2 5599 B14R1.793 COc1ccc(cc1OC)CCCO 34a_100000060467_200000210301 [0,2,0,0,0,0|0,0,2]=4 5600 B14R1.793 COc1ccc(cc1OC)CCCO 7a_100000060467_200000210301 [0,2,0,0,0,0|0,0,2]=4 5601 B14R1.793 COc1ccc(cc1OC)CCN[13CH3] 2230a_100000210947_200025704644 [0,2,0,0,0,0|0,0,2]=4 5602 B14R1.793 COc1ccc(cc1OC)CCN[13CH3] 34a_100000210947_200025704644 [0,2,0,0,0,0|0,0,2]=4 5603 B14R1.793 COc1ccc(cc1OC)CCO[13CH3] 34a_100011215274_200025704644 [0,2,0,0,0,0|0,0,2]=4 5604 B14R1.793 COc1ccc(cc1OC)CCSC 62a_200000210301_100011740610 [0,2,0,0,0,0|0,0,2]=4 5605 B14R1.793 COc1ccc(cc1OC)CCS[13CH3] 62a_200025704644_100011740610 [0,2,0,0,0,0|0,0,2]=4 5606 B14R1.793 COc1ccc(cc1OC)CNCF 34a_100000185555_100015361967 [0,2,0,0,0,0|1,0,1]=4 5607 B14R1.793 COc1ccc(cc1OC)COCF 34a_100000210929_100015361967 [0,2,0,0,0,0|1,0,1]=4 5608 B14R1.793 COc1ccc(cc1OC)CSCF 62a_100015361967_100011233839 [0,2,0,0,0,0|1,0,1]=4 5609 B14R1.793 COc1ccc(cc1OC)NCC=O 34a_100000187404_200009817547 [0,2,0,0,0,0|1,0,1]=4 5610 B14R1.793 COc1ccc(cc1OC)NCCF 34a_100000187404_100011217306 [0,2,0,0,0,0|1,0,1]=4 5611 B14R1.793 COc1ccc(cc1OC)NCCO 34a_100000187404_100000211926 [0,2,0,0,0,0|1,0,1]=4 5612 B14R1.793 COc1ccc(cc1OC)NCSC 34a_100000187404_100011218213 [0,2,0,0,0,0|1,0,1]=4 5613 B14R1.793 COc1ccc(cc1OC)OCC=O 34a_100000039706_200009817547 [0,2,0,0,0,0|1,0,1]=4 5614 B14R1.793 COc1ccc(cc1OC)OCCF 34a_100000039706_100011217306 [0,2,0,0,0,0|1,0,1]=4 5615 B14R1.793 COc1ccc(cc1OC)OCCO 34a_100000039706_100000211926 [0,2,0,0,0,0|1,0,1]=4 5616 B14R1.793 COc1ccc(cc1OC)OCSC 34a_100000039706_100011218213 [0,2,0,0,0,0|1,0,1]=4 5617 B14R1.793 COc1ccc(cc1OC)SCC=O 62a_200015260668_100011356967 [0,2,0,0,0,0|1,0,1]=4 5618 B14R1.793 COc1ccc(cc1OC)SCCF 62a_100011217306_100011356967 [0,2,0,0,0,0|1,0,1]=4 5619 B14R1.793 COc1ccc(cc1OC)SCCO 62a_100000211926_100011356967 [0,2,0,0,0,0|1,0,1]=4 5620 B14R1.793 COc1ccc(cc1OC)SCSC 62a_100011218213_100011356967 [0,2,0,0,0,0|1,0,1]=4 5621 B14R1.793 COc1ccc(cc1O[13CH3])/C=C/CO 34a_100102524974_200025704644 [0,2,0,0,0,0|0,0,0]=2 5622 B14R1.3237 CC=Cc1cc(c(c(c1)OC)C#N)F 271570a_100016259895_100000697026 [0,2,0,0,0,0|1,0,0]=3 5623 B14R1.3237 CC=Cc1cc(c(c(c1)OC)C=O)F 271570a_100016259895_100010363811 [0,2,0,0,0,0|0,0,1]=3 5624 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Br 207a_100102657272_100000183470 [0,2,0,0,0,0|1,0,1]=4 5625 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Br 270004a_106832991635_100000183470 [0,2,0,0,0,0|1,0,1]=4 5626 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Br 34a_100000748475_200000210301 [0,2,0,0,0,0|1,0,1]=4 5627 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Cl 207a_100102657272_100000184546 [0,2,0,0,0,0|1,0,1]=4 5628 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Cl 270004a_106832991635_100000184546 [0,2,0,0,0,0|1,0,1]=4 5629 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)I 207a_100102657272_100000188315 [0,2,0,0,0,0|1,0,1]=4 5630 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)I 270004a_106832991635_100000188315 [0,2,0,0,0,0|1,0,1]=4 5631 B14R1.3237 COCc1cc(c(c(c1)OC)OC)Br 34a_200000215730_200000210301 [0,2,0,0,0,0|1,0,1]=4 5632 B14R1.3237 COc1cc(cc(c1OC)Br)CN[13CH3] 34a_100000748475_200025704644 [0,2,0,0,0,0|1,0,1]=4 5633 B14R1.3237 COc1cc(cc(c1OC)Br)CO[13CH3] 34a_200000215730_200025704644 [0,2,0,0,0,0|1,0,1]=4 5634 B14R1.6788 C=C=Cc1ccc(c(c1)OC)OCC 271570a_100015277604_200012344064 [0,2,0,0,0,0|0,0,2]=4 5635 B14R1.6788 C=CCc1ccc(c(c1)OC)OCC 34a_100000181329_100000210202 [0,2,0,0,0,0|0,0,2]=4 5636 B14R1.6788 C=CCc1ccc(c(c1)OC)OCF 34a_100000181329_100015361967 [0,2,0,0,0,0|0,0,2]=4 5637 B14R1.6788 CC=Cc1ccc(c(c1)C#N)OCC 271570a_100016259895_100000188824 [0,2,0,0,0,0|2,0,0]=4 5638 B14R1.6788 CC=Cc1ccc(c(c1)C=O)OCC 271570a_100016259895_100000170027 [0,2,0,0,0,0|2,0,0]=4 5639 B14R1.6788 CC=Cc1ccc(c(c1)CC)OCC 271570a_100016259895_200010070707 [0,2,0,0,0,0|1,0,0]=3 5640 B14R1.6788 CC=Cc1ccc(c(c1)OC)CC#N 271570a_100016259895_100010245117 [0,2,0,0,0,0|1,0,0]=3 5641 B14R1.6788 CC=Cc1ccc(c(c1)OC)CNC 26a_100102657272_100015195088 [0,2,0,0,0,0|1,0,0]=3 5642 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 271570a_100016259895_200012344064 [0,2,0,0,0,0|0,0,0]=2 5643 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100000057189_200000210301 [0,2,0,0,0,0|0,0,0]=2 5644 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100015195088_100000210202 [0,2,0,0,0,0|0,0,0]=2 5645 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 7a_100000057189_200000210301 [0,2,0,0,0,0|0,0,0]=2 5646 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCF 34a_100015195088_100015361967 [0,2,0,0,0,0|0,0,0]=2 5647 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 34a_100000057189_200025704644 [0,2,0,0,0,0|0,0,0]=2 5648 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 7a_100000057189_200025704644 [0,2,0,0,0,0|0,0,0]=2 5649 B14R1.6788 CC=Cc1cnc(c(c1)OC)OCC 271570a_100016259895_200010116856 [0,2,0,0,0,0|1,0,0]=3 5650 B14R1.6788 CCCc1ccc(c(c1)OC)OCC 34a_100000012292_100000210202 [0,2,0,0,0,0|0,0,2]=4 5651 B14R1.6788 CCCc1ccc(c(c1)OC)OCC 7a_100000012292_100000210202 [0,2,0,0,0,0|0,0,2]=4 5652 B14R1.6788 CCCc1ccc(c(c1)OC)OCF 34a_100000012292_100015361967 [0,2,0,0,0,0|0,0,2]=4 5653 B14R1.6788 CCCc1ccc(c(c1)OC)OCF 7a_100000012292_100015361967 [0,2,0,0,0,0|0,0,2]=4 5654 B14R1.6788 CCNc1ccc(c(c1)OC)OCC 2230a_100000184985_100000210202 [0,2,0,0,0,0|1,0,1]=4 5655 B14R1.6788 CCNc1ccc(c(c1)OC)OCC 34a_100000184985_100000210202 [0,2,0,0,0,0|1,0,1]=4 5656 B14R1.6788 CCOc1ccc(cc1OC)CNC 207a_100102657272_100000169853 [0,2,0,0,0,0|1,0,1]=4 5657 B14R1.6788 CCOc1ccc(cc1OC)CNC 2230a_200000739100_200000210301 [0,2,0,0,0,0|1,0,1]=4 5658 B14R1.6788 CCOc1ccc(cc1OC)CNC 270004a_106832991635_100000169853 [0,2,0,0,0,0|1,0,1]=4 5659 B14R1.6788 CCOc1ccc(cc1OC)CNC 34a_200000739100_200000210301 [0,2,0,0,0,0|1,0,1]=4 5660 B14R1.6788 CCOc1ccc(cc1OC)CN[13CH3] 2230a_200000739100_200025704644 [0,2,0,0,0,0|1,0,1]=4 5661 B14R1.6788 CCOc1ccc(cc1OC)CN[13CH3] 34a_200000739100_200025704644 [0,2,0,0,0,0|1,0,1]=4 5662 B14R1.6788 CCOc1ccc(cc1OC)COC 34a_100000184821_200000210301 [0,2,0,0,0,0|1,0,1]=4 5663 B14R1.6788 CCOc1ccc(cc1OC)CO[13CH3] 34a_100000184821_200025704644 [0,2,0,0,0,0|1,0,1]=4 5664 B14R1.6794 CC=Cc1ccc(c(c1)B(O)O)OC 271570a_100016259895_100009813459 [0,2,0,0,0,0|2,0,0]=4 5665 B14R1.6794 CC=Cc1ccc(c(c1)C(=O)C)OC 271570a_100016259895_100000173343 [0,2,0,0,0,0|1,0,0]=3 5666 B14R1.6794 CC=Cc1ccc(c(c1)C(F)F)OC 271570a_100016259895_100010146105 [0,2,0,0,0,0|2,0,0]=4 5667 B14R1.6794 CC=Cc1cnc(c(c1)C(=O)C)OC 271570a_100016259895_100010135678 [0,2,0,0,0,0|2,0,0]=4 5668 B14R1.10285 C=C=Cc1ccc(c(c1C)OC)OC 271570a_100015277604_100010000156 [0,2,0,0,0,0|0,0,2]=4 5669 B14R1.10285 CC=Cc1ccc(c(c1C)OC)OC 271570a_100016259895_100010000156 [0,2,0,0,0,0|0,0,0]=2 5670 B14R1.10285 CC=Cc1ccc(c(c1F)C=O)OC 271570a_100016259895_100010202131 [0,2,0,0,0,0|2,0,0]=4 5671 B14R1.10285 CC=Cc1ccc(c(c1F)OC)C#N 271570a_100016259895_200010764283 [0,2,0,0,0,0|1,0,0]=3 5672 B14R1.10285 CCSc1ccc(c(c1C)OC)OC 62a_100000210202_100010000156 [0,2,0,0,0,0|1,0,1]=4 5673 B14R1.10285 CNCc1ccc(c(c1Br)OC)OC 207a_100102657272_100009814707 [0,2,0,0,0,0|1,0,1]=4 5674 B14R1.10285 CNCc1ccc(c(c1Br)OC)OC 270004a_106832991635_100009814707 [0,2,0,0,0,0|1,0,1]=4 5675 B14R1.10285 CNCc1ccc(c(c1C)OC)OC 207a_100102657272_100000050322 [0,2,0,0,0,0|1,0,1]=4 5676 B14R1.10285 CNCc1ccc(c(c1C)OC)OC 270004a_106832991635_100000050322 [0,2,0,0,0,0|1,0,1]=4 5677 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 207a_100102657272_100000033805 [0,2,0,0,0,0|1,0,1]=4 5678 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 2230a_106832991635_100011890039 [0,2,0,0,0,0|1,0,1]=4 5679 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 270004a_106832991635_100000033805 [0,2,0,0,0,0|1,0,1]=4 5680 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 34a_102515433231_200000210301 [0,2,0,0,0,0|1,0,1]=4 5681 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 7a_106832991635_100011890039 [0,2,0,0,0,0|1,0,1]=4 5682 B14R1.10285 CNCc1ccc(c(c1F)OC)OC 207a_100102657272_100009852382 [0,2,0,0,0,0|1,0,1]=4 5683 B14R1.10285 CNCc1ccc(c(c1F)OC)OC 270004a_106832991635_100009852382 [0,2,0,0,0,0|1,0,1]=4 5684 B14R1.10285 CNCc1ccc(c(c1I)OC)OC 207a_100102657272_100010191550 [0,2,0,0,0,0|1,0,1]=4 5685 B14R1.10285 CNCc1ccc(c(c1I)OC)OC 270004a_106832991635_100010191550 [0,2,0,0,0,0|1,0,1]=4 5686 B14R1.10285 COCc1ccc(c(c1Cl)OC)OC 34a_100011218542_200000210301 [0,2,0,0,0,0|1,0,1]=4 5687 B14R1.10285 COCc1ccc(c(c1Cl)OC)OC 7a_100011218542_200000210301 [0,2,0,0,0,0|1,0,1]=4 5688 B14R1.10285 COc1ccc(c(c1OC)Cl)CN[13CH3] 34a_102515433231_200025704644 [0,2,0,0,0,0|1,0,1]=4 5689 B14R1.10285 COc1ccc(c(c1OC)Cl)CO[13CH3] 34a_100011218542_200025704644 [0,2,0,0,0,0|1,0,1]=4 5690 B14R1.10285 COc1ccc(c(c1OC)Cl)CO[13CH3] 7a_100011218542_200025704644 [0,2,0,0,0,0|1,0,1]=4 5691 B14R1.10285 COc1ccc(c(c1OC)Cl)CSC 62a_200000210301_100011890039 [0,2,0,0,0,0|1,0,1]=4 5692 B14R1.10285 COc1ccc(c(c1OC)Cl)CS[13CH3] 62a_200025704644_100011890039 [0,2,0,0,0,0|1,0,1]=4 5693 B14R1.14946 C=C=Cc1cc(c(cc1F)OC)OC 271570a_100015277604_200011765842 [0,2,0,0,0,0|0,0,2]=4 5694 B14R1.14946 CC=Cc1cc(c(cc1F)OC)OC 271570a_100016259895_200011765842 [0,2,0,0,0,0|0,0,0]=2 5695 B14R1.14946 CC=Cc1nc(c(cc1C)OC)OC 271570a_100016259895_200011016175 [0,2,0,0,0,0|1,0,0]=3 5696 B14R1.14946 CCNc1cc(c(cc1C)OC)OC 34a_100000183460_100000210202 [0,2,0,0,0,0|1,0,1]=4 5697 B14R1.14946 CCNc1cc(c(cc1F)OC)OC 34a_100000753170_100000210202 [0,2,0,0,0,0|1,0,1]=4 5698 B14R1.14946 CCSc1cc(c(cc1F)OC)OC 62a_200011765842_100000210202 [0,2,0,0,0,0|1,0,1]=4 5699 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 207a_100102657272_100000170863 [0,2,0,0,0,0|1,0,1]=4 5700 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 270004a_106832991635_100000170863 [0,2,0,0,0,0|1,0,1]=4 5701 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 34a_100102657272_100011375086 [0,2,0,0,0,0|1,0,1]=4 5702 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 7a_106832991635_100011375086 [0,2,0,0,0,0|1,0,1]=4 5703 B14R1.14946 CNCc1cc(c(cc1C)OC)OC 207a_100102657272_100000685059 [0,2,0,0,0,0|1,0,1]=4 5704 B14R1.14946 CNCc1cc(c(cc1C)OC)OC 270004a_106832991635_100000685059 [0,2,0,0,0,0|1,0,1]=4 5705 B14R1.14946 CNCc1cc(c(cc1Cl)OC)OC 207a_100102657272_100000186741 [0,2,0,0,0,0|1,0,1]=4 5706 B14R1.14946 CNCc1cc(c(cc1Cl)OC)OC 270004a_106832991635_100000186741 [0,2,0,0,0,0|1,0,1]=4 5707 B14R1.14946 CNCc1cc(c(cc1F)OC)OC 207a_100102657272_100011218750 [0,2,0,0,0,0|1,0,1]=4 5708 B14R1.14946 CNCc1cc(c(cc1F)OC)OC 270004a_106832991635_100011218750 [0,2,0,0,0,0|1,0,1]=4 5709 B14R1.14946 CNCc1cc(c(cc1F)OC)OC 34a_100132302102_200000210301 [0,2,0,0,0,0|1,0,1]=4 5710 B14R1.14946 CNCc1cc(c(cc1I)OC)OC 207a_100102657272_100010174930 [0,2,0,0,0,0|1,0,1]=4 5711 B14R1.14946 CNCc1cc(c(cc1I)OC)OC 270004a_106832991635_100010174930 [0,2,0,0,0,0|1,0,1]=4 5712 B14R1.14946 COCc1cc(c(cc1Br)OC)OC 34a_100138415774_100011375086 [0,2,0,0,0,0|1,0,1]=4 5713 B14R1.14946 COCc1cc(c(cc1Br)OC)OC 34a_200000246283_200000210301 [0,2,0,0,0,0|1,0,1]=4 5714 B14R1.14946 COCc1cc(c(cc1Br)OC)OC 7a_200000246283_200000210301 [0,2,0,0,0,0|1,0,1]=4 5715 B14R1.14946 COc1cc(c(cc1OC)CN[13CH3])F 34a_100132302102_200025704644 [0,2,0,0,0,0|1,0,1]=4 5716 B14R1.14946 COc1cc(c(cc1OC)CO[13CH3])Br 34a_200000246283_200025704644 [0,2,0,0,0,0|1,0,1]=4 5717 B14R1.14946 COc1cc(c(cc1OC)CO[13CH3])Br 7a_200000246283_200025704644 [0,2,0,0,0,0|1,0,1]=4 5718 B14R1.14946 COc1cc(c(cc1OC)CSC)Br 62a_100011375086_200000210301 [0,2,0,0,0,0|1,0,1]=4 5719 B14R1.14946 COc1cc(c(cc1OC)CS[13CH3])Br 62a_100011375086_200025704644 [0,2,0,0,0,0|1,0,1]=4 5720 B14R1.491 CC=Cc1ccc(c(c1)C(C)(C)C)N 271570a_100016259895_100010286096 [0,2,0,0,0,0|2,0,0]=4 5721 B14R1.491 CC=Cc1ccc(c(c1)C(C)(C)C)O 271570a_100016259895_100000704011 [0,2,0,0,0,0|1,0,0]=3 5722 B14R1.491 CC=Cc1ccc(c(c1)C(C)(C)O)F 271570a_100016259895_100012636306 [0,2,0,0,0,0|2,0,0]=4 5723 B14R1.491 CC=Cc1ccc(c(c1)C(C)(F)F)F 271570a_100016259895_100011004755 [0,2,0,0,0,0|2,0,0]=4 5724 B14R1.491 CC=Cc1ccc(c(c1)C(F)(F)F)O 271570a_100016259895_100000693511 [0,2,0,0,0,0|2,0,0]=4 5725 B14R1.491 CC=Cc1ccc(c(c1)S(=O)(=O)C)Br 271570a_100016259895_100011102953 [0,2,0,0,0,0|1,1,0]=4 5726 B14R1.491 CC=Cc1ccc(c(c1)S(=O)(=O)C)C 271570a_100016259895_100009814363 [0,2,0,0,0,0|1,1,0]=4 5727 B14R1.491 CC=Cc1ccc(c(c1)S(=O)(=O)C)F 271570a_100016259895_100010195686 [0,2,0,0,0,0|1,1,0]=4 5728 B14R1.491 CC=Cc1ccc(c(c1)S(=O)(=O)C)N 271570a_100016259895_100000692581 [0,2,0,0,0,0|1,1,0]=4 5729 B14R1.491 CC=Cc1ccc(c(c1)S(=O)(=O)C)O 271570a_100016259895_200015712519 [0,2,0,0,0,0|0,1,0]=3 5730 B14R1.3329 CC=Cc1cc(c(cc1C)O)C(=O)C 271570a_100016259895_200010233951 [0,2,0,0,0,0|1,0,0]=3 5731 B14R1.3329 CC=Cc1cc(c(cc1F)F)C(=O)C 271570a_100016259895_100009817148 [0,2,0,0,0,0|2,0,0]=4 5732 B14R1.3329 CC=Cc1cc(c(cc1F)O)C(=O)C 271570a_100016259895_100000691652 [0,2,0,0,0,0|1,0,0]=3 5733 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)Br 2230a_100000765947_100000748629 [0,2,0,0,0,0|1,0,1]=4 5734 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)Br 34a_100000765947_100000748629 [0,2,0,0,0,0|1,0,1]=4 5735 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)C 2230a_100011279678_100000748629 [0,2,0,0,0,0|1,0,1]=4 5736 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)C 34a_100011279678_100000748629 [0,2,0,0,0,0|1,0,1]=4 5737 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000748629 [0,2,0,0,0,0|1,0,1]=4 5738 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)Cl 34a_100000742311_100000748629 [0,2,0,0,0,0|1,0,1]=4 5739 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)F 2230a_100000701188_100000748629 [0,2,0,0,0,0|1,0,1]=4 5740 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)F 34a_100000701188_100000748629 [0,2,0,0,0,0|1,0,1]=4 5741 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)I 34a_100000746945_100000748629 [0,2,0,0,0,0|1,0,1]=4 5742 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)O 34a_100000726020_100000748629 [0,2,0,0,0,0|0,0,1]=3 5743 B14R1.42 C=C(C)COc1ccc(c(c1)OC)Br 34a_100011827694_100000748629 [0,2,0,0,0,0|1,0,1]=4 5744 B14R1.42 C=C(C)COc1ccc(c(c1)OC)Br 7a_100011827694_100000748629 [0,2,0,0,0,0|1,0,1]=4 5745 B14R1.42 C=C(C)COc1ccc(c(c1)OC)C 34a_100009865632_100000748629 [0,2,0,0,0,0|1,0,1]=4 5746 B14R1.42 C=C(C)COc1ccc(c(c1)OC)C 7a_100009865632_100000748629 [0,2,0,0,0,0|1,0,1]=4 5747 B14R1.42 C=C(C)COc1ccc(c(c1)OC)Cl 34a_100012186310_100000748629 [0,2,0,0,0,0|1,0,1]=4 5748 B14R1.42 C=C(C)COc1ccc(c(c1)OC)Cl 7a_100012186310_100000748629 [0,2,0,0,0,0|1,0,1]=4 5749 B14R1.42 C=C(C)COc1ccc(c(c1)OC)F 34a_100012001760_100000748629 [0,2,0,0,0,0|1,0,1]=4 5750 B14R1.42 C=C(C)COc1ccc(c(c1)OC)F 7a_100012001760_100000748629 [0,2,0,0,0,0|1,0,1]=4 5751 B14R1.42 C=C(C)COc1ccc(c(c1)OC)N 34a_100015326901_100000748629 [0,2,0,0,0,0|1,0,1]=4 5752 B14R1.42 C=C(C)COc1ccc(c(c1)OC)N 7a_100015326901_100000748629 [0,2,0,0,0,0|1,0,1]=4 5753 B14R1.42 C=C(C)CSc1ccc(c(c1)CC)O 62a_100000748629_100012338938 [0,2,0,0,0,0|1,0,1]=4 5754 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)Br 62a_100000748629_100012353699 [0,2,0,0,0,0|1,0,1]=4 5755 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)Br 62a_100012353699_100000211660 [0,2,0,0,0,0|1,0,1]=4 5756 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)C 62a_100000748629_100011830276 [0,2,0,0,0,0|1,0,1]=4 5757 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)C 62a_100011830276_100000211660 [0,2,0,0,0,0|1,0,1]=4 5758 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)Cl 62a_100000748629_100011356853 [0,2,0,0,0,0|1,0,1]=4 5759 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)Cl 62a_100011356853_100000211660 [0,2,0,0,0,0|1,0,1]=4 5760 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)F 62a_100000748629_100011934186 [0,2,0,0,0,0|1,0,1]=4 5761 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)F 62a_100011934186_100000211660 [0,2,0,0,0,0|1,0,1]=4 5762 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)N 62a_100000748629_100015196925 [0,2,0,0,0,0|1,0,1]=4 5763 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)N 62a_100011279103_100000211660 [0,2,0,0,0,0|1,0,1]=4 5764 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)O 62a_100000748629_100000694246 [0,2,0,0,0,0|0,0,1]=3 5765 B14R1.42 C=C(C)CSc1ccc(c(n1)OC)O 62a_100000748629_100010893133 [0,2,0,0,0,0|1,0,1]=4 5766 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)O 34a_100000726020_100009893438 [0,2,0,0,0,0|0,0,2]=4 5767 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)O 62a_100000042424_100000694246 [0,2,0,0,0,0|0,0,2]=4 5768 B14R1.42 CC(C)C=Cc1ccc(c(c1)C#N)O 271570a_100016257149_100000687585 [0,2,0,0,0,0|2,0,0]=4 5769 B14R1.42 CC(C)C=Cc1ccc(c(c1)C=O)O 271570a_100016257149_100000186750 [0,2,0,0,0,0|2,0,0]=4 5770 B14R1.42 CC(C)C=Cc1ccc(c(c1)CN)O 271570a_100016257149_100000730032 [0,2,0,0,0,0|2,0,0]=4 5771 B14R1.42 CC(C)C=Cc1ccc(c(c1)CO)O 271570a_100016257149_100000184703 [0,2,0,0,0,0|2,0,0]=4 5772 B14R1.42 CC(O)C=Cc1ccc(c(c1)C#N)O 271570a_200011019289_100000687585 [0,2,0,0,0,0|2,0,0]=4 5773 B14R1.42 CC(O)C=Cc1ccc(c(c1)C=O)O 271570a_200011019289_100000186750 [0,2,0,0,0,0|2,0,0]=4 5774 B14R1.42 CC(O)C=Cc1ccc(c(c1)CN)O 271570a_200011019289_100000730032 [0,2,0,0,0,0|2,0,0]=4 5775 B14R1.42 CC(O)C=Cc1ccc(c(c1)CO)O 271570a_200011019289_100000184703 [0,2,0,0,0,0|2,0,0]=4 5776 B14R1.42 CCc1cc(ccc1Br)C=CC(C)C 271570a_100016257149_100010244631 [0,2,0,0,0,0|2,0,0]=4 5777 B14R1.42 CCc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_100010244631 [0,2,0,0,0,0|2,0,0]=4 5778 B14R1.42 CCc1cc(ccc1F)C=CC(C)C 271570a_100016257149_100010244625 [0,2,0,0,0,0|2,0,0]=4 5779 B14R1.42 CCc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100010244625 [0,2,0,0,0,0|2,0,0]=4 5780 B14R1.42 CCc1cc(ccc1N)C=CC(C)C 271570a_100016257149_100000686106 [0,2,0,0,0,0|2,0,0]=4 5781 B14R1.42 CCc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000686106 [0,2,0,0,0,0|2,0,0]=4 5782 B14R1.42 CCc1cc(ccc1O)C=CC(C)C 271570a_100016257149_100012338938 [0,2,0,0,0,0|1,0,0]=3 5783 B14R1.42 CCc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100012338938 [0,2,0,0,0,0|1,0,0]=3 5784 B14R1.42 CNc1cc(ccc1C)C=CC(C)C 271570a_100016257149_100020629602 [0,2,0,0,0,0|2,0,0]=4 5785 B14R1.42 CNc1cc(ccc1C)C=CC(C)O 271570a_200011019289_100020629602 [0,2,0,0,0,0|2,0,0]=4 5786 B14R1.42 CNc1cc(ccc1F)C=CC(C)C 271570a_100016257149_100011314990 [0,2,0,0,0,0|2,0,0]=4 5787 B14R1.42 CNc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100011314990 [0,2,0,0,0,0|2,0,0]=4 5788 B14R1.42 CNc1cc(ccc1N)C=CC(C)C 271570a_100016257149_100000694363 [0,2,0,0,0,0|2,0,0]=4 5789 B14R1.42 CNc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000694363 [0,2,0,0,0,0|2,0,0]=4 5790 B14R1.42 COc1cc(c[nH]c1=O)C=CC(C)C 271570a_100016257149_100010125397 [0,2,0,0,0,0|1,0,1]=4 5791 B14R1.42 COc1cc(c[nH]c1=O)C=CC(C)O 271570a_200011019289_100010125397 [0,2,0,0,0,0|1,0,1]=4 5792 B14R1.42 COc1cc(ccc1Br)C=CC(=O)C 1458a_100016267305_200000210301 [0,2,0,0,0,0|1,0,0]=3 5793 B14R1.42 COc1cc(ccc1Br)C=CC(=O)[13CH3] 1458a_100016267305_200025704644 [0,2,0,0,0,0|1,0,0]=3 5794 B14R1.42 COc1cc(ccc1Br)C=CC(C)C 271570a_100016257149_100012353699 [0,2,0,0,0,0|1,0,0]=3 5795 B14R1.42 COc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_100012353699 [0,2,0,0,0,0|1,0,0]=3 5796 B14R1.42 COc1cc(ccc1C)C=CC(C)C 271570a_100016257149_100011830276 [0,2,0,0,0,0|1,0,0]=3 5797 B14R1.42 COc1cc(ccc1C)C=CC(C)O 271570a_200011019289_100011830276 [0,2,0,0,0,0|1,0,0]=3 5798 B14R1.42 COc1cc(ccc1C)CCC(=O)C 1458a_200000066385_200000210301 [0,2,0,0,0,0|1,0,1]=4 5799 B14R1.42 COc1cc(ccc1C)CCC(=O)[13CH3] 1458a_200000066385_200025704644 [0,2,0,0,0,0|1,0,1]=4 5800 B14R1.42 COc1cc(ccc1Cl)C=CC(C)C 271570a_100016257149_100011356853 [0,2,0,0,0,0|1,0,0]=3 5801 B14R1.42 COc1cc(ccc1Cl)C=CC(C)O 271570a_200011019289_100011356853 [0,2,0,0,0,0|1,0,0]=3 5802 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 11a_100015204853_100015343762 [0,2,0,0,0,0|1,0,1]=4 5803 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 1626a_100015204853_100015343762 [0,2,0,0,0,0|1,0,1]=4 5804 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 240690a_100015204853_100015343762 [0,2,0,0,0,0|1,0,1]=4 5805 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 527a_100015204853_100103153847 [0,2,0,0,0,0|1,0,1]=4 5806 B14R1.42 COc1cc(ccc1F)C=CC(C)C 271570a_100016257149_100011934186 [0,2,0,0,0,0|1,0,0]=3 5807 B14R1.42 COc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100011934186 [0,2,0,0,0,0|1,0,0]=3 5808 B14R1.42 COc1cc(ccc1F)CCC(=O)C 1458a_100009849056_200000210301 [0,2,0,0,0,0|1,0,1]=4 5809 B14R1.42 COc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100009849056_200025704644 [0,2,0,0,0,0|1,0,1]=4 5810 B14R1.42 COc1cc(ccc1F)CNC(=O)C 11a_100020626639_100015343762 [0,2,0,0,0,0|1,0,1]=4 5811 B14R1.42 COc1cc(ccc1F)CNC(=O)C 1626a_100020626639_100015343762 [0,2,0,0,0,0|1,0,1]=4 5812 B14R1.42 COc1cc(ccc1F)CNC(=O)C 240690a_100020626639_100015343762 [0,2,0,0,0,0|1,0,1]=4 5813 B14R1.42 COc1cc(ccc1F)CNC(=O)C 527a_100020626639_100103153847 [0,2,0,0,0,0|1,0,1]=4 5814 B14R1.42 COc1cc(ccc1F)NNC(=O)C 22a_102515433066_100000070787 [0,2,0,0,0,0|2,0,0]=4 5815 B14R1.42 COc1cc(ccc1N)C=CC(C)C 271570a_100016257149_100011279103 [0,2,0,0,0,0|1,0,0]=3 5816 B14R1.42 COc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100011279103 [0,2,0,0,0,0|1,0,0]=3 5817 B14R1.42 COc1cc(ccc1O)C=CC(=O)C 1458a_100000182119_200000210301 [0,2,0,0,0,0|0,0,0]=2 5818 B14R1.42 COc1cc(ccc1O)C=CC(=O)[13CH3] 1458a_100000182119_200025704644 [0,2,0,0,0,0|0,0,0]=2 5819 B14R1.42 COc1cc(ccc1O)C=CC(C)C 271570a_100016257149_100000694246 [0,2,0,0,0,0|0,0,0]=2 5820 B14R1.42 COc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000694246 [0,2,0,0,0,0|0,0,0]=2 5821 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100000070787_100010741665 [0,2,0,0,0,0|0,0,1]=3 5822 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100011216321_200000210301 [0,2,0,0,0,0|0,0,1]=3 5823 B14R1.42 COc1cc(ccc1O)CCC(=O)[13CH3] 1458a_100011216321_200025704644 [0,2,0,0,0,0|0,0,1]=3 5824 B14R1.42 COc1cc(ccc1O)CCN(C)C 2230a_100102631434_100010741665 [0,2,0,0,0,0|0,0,2]=4 5825 B14R1.42 COc1cc(ccc1O)CCN(C)C 269982a_100102631434_100010741665 [0,2,0,0,0,0|0,0,2]=4 5826 B14R1.42 COc1cc(ccc1O)CNC(=O)C 11a_100000185554_100015343762 [0,2,0,0,0,0|0,0,1]=3 5827 B14R1.42 COc1cc(ccc1O)CNC(=O)C 240690a_100000185554_100015343762 [0,2,0,0,0,0|0,0,1]=3 5828 B14R1.42 COc1cc(ccc1O)CNC(=O)C 527a_100000185554_100103153847 [0,2,0,0,0,0|0,0,1]=3 5829 B14R1.42 COc1cc(ccc1O)CNC(C)C 34a_100000185554_100000210206 [0,2,0,0,0,0|0,0,2]=4 5830 B14R1.42 COc1cc(ccc1O)NCC(=O)N 34a_100000726020_100000187820 [0,2,0,0,0,0|1,0,1]=4 5831 B14R1.42 COc1cc(ccc1O)NCC(=O)[O-] 34a_100000726020_100020667443 [0,2,0,0,0,0|1,0,1]=4 5832 B14R1.42 COc1cc(ccc1O)NCC(C)C 34a_100000726020_100000210624 [0,2,0,0,0,0|0,0,2]=4 5833 B14R1.42 COc1cc(ccc1O)NCC(C)O 34a_100000726020_100011218427 [0,2,0,0,0,0|0,0,2]=4 5834 B14R1.42 COc1cc(ccc1O)NCC(F)F 34a_100000726020_100011934356 [0,2,0,0,0,0|1,0,1]=4 5835 B14R1.42 COc1cc(ccc1O)NC[C@@H](C)O 34a_100000726020_100009817552 [0,2,0,0,0,0|0,0,2]=4 5836 B14R1.42 COc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000694246 [0,2,0,0,0,0|1,0,1]=4 5837 B14R1.42 COc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000694246 [0,2,0,0,0,0|1,0,1]=4 5838 B14R1.42 COc1cc(ccc1O)SCC(C)C 62a_100000210624_100000694246 [0,2,0,0,0,0|0,0,2]=4 5839 B14R1.42 COc1cc(ccc1O)SCC(C)O 62a_100011218427_100000694246 [0,2,0,0,0,0|0,0,2]=4 5840 B14R1.42 COc1cc(ccc1O)SCC(F)F 62a_100011934356_100000694246 [0,2,0,0,0,0|1,0,1]=4 5841 B14R1.42 COc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_100000694246 [0,2,0,0,0,0|0,0,2]=4 5842 B14R1.42 COc1cc(cnc1C)C=CC(C)C 271570a_100016257149_100010254219 [0,2,0,0,0,0|2,0,0]=4 5843 B14R1.42 COc1cc(cnc1C)C=CC(C)O 271570a_200011019289_100010254219 [0,2,0,0,0,0|2,0,0]=4 5844 B14R1.42 COc1cc(cnc1F)C=CC(C)C 271570a_100016257149_100010214931 [0,2,0,0,0,0|2,0,0]=4 5845 B14R1.42 COc1cc(cnc1F)C=CC(C)O 271570a_200011019289_100010214931 [0,2,0,0,0,0|2,0,0]=4 5846 B14R1.42 COc1cc(cnc1N)C=CC(C)C 271570a_100016257149_106354213024 [0,2,0,0,0,0|2,0,0]=4 5847 B14R1.42 COc1cc(cnc1N)C=CC(C)O 271570a_200011019289_106354213024 [0,2,0,0,0,0|2,0,0]=4 5848 B14R1.42 COc1cc(ncc1C)C=CC(C)C 271570a_100016257149_100010067687 [0,2,0,0,0,0|2,0,0]=4 5849 B14R1.42 COc1cc(ncc1C)C=CC(C)O 271570a_200011019289_100010067687 [0,2,0,0,0,0|2,0,0]=4 5850 B14R1.42 COc1cc(ncc1F)C=CC(C)C 271570a_100016257149_200010136270 [0,2,0,0,0,0|2,0,0]=4 5851 B14R1.42 COc1cc(ncc1F)C=CC(C)O 271570a_200011019289_200010136270 [0,2,0,0,0,0|2,0,0]=4 5852 B14R1.42 COc1cc(ncc1N)C=CC(C)C 271570a_100016257149_100009887741 [0,2,0,0,0,0|2,0,0]=4 5853 B14R1.42 COc1cc(ncc1N)C=CC(C)O 271570a_200011019289_100009887741 [0,2,0,0,0,0|2,0,0]=4 5854 B14R1.42 COc1nc(ccc1N)C=CC(C)C 271570a_100016257149_100000687816 [0,2,0,0,0,0|2,0,0]=4 5855 B14R1.42 COc1nc(ccc1N)C=CC(C)O 271570a_200011019289_100000687816 [0,2,0,0,0,0|2,0,0]=4 5856 B14R1.42 COc1nc(ccc1O)C=CC(C)C 271570a_100016257149_100010893133 [0,2,0,0,0,0|1,0,0]=3 5857 B14R1.42 COc1nc(ccc1O)C=CC(C)O 271570a_200011019289_100010893133 [0,2,0,0,0,0|1,0,0]=3 5858 B14R1.42 COc1nc(cnc1O)C=CC(C)C 271570a_100016257149_200010365344 [0,2,0,0,0,0|2,0,0]=4 5859 B14R1.42 COc1nc(cnc1O)C=CC(C)O 271570a_200011019289_200010365344 [0,2,0,0,0,0|2,0,0]=4 5860 B14R1.42 CSc1cc(ccc1F)C=CC(C)C 271570a_100016257149_100010341305 [0,2,0,0,0,0|1,1,0]=4 5861 B14R1.42 CSc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100010341305 [0,2,0,0,0,0|1,1,0]=4 5862 B14R1.907 C#CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000688953 [0,2,0,0,0,0|1,0,1]=4 5863 B14R1.907 C#CCCSc1ccc(c(c1)OC)O 62a_100000688953_100000694246 [0,2,0,0,0,0|1,0,1]=4 5864 B14R1.907 C#CCNCc1ccc(c(c1)OC)O 34a_100000185554_100000184674 [0,2,0,0,0,0|1,0,1]=4 5865 B14R1.907 C/C=C/CNc1ccc(c(c1)C#N)O 34a_100011249283_100102629194 [0,2,0,0,0,0|2,0,0]=4 5866 B14R1.907 C/C=C/CNc1ccc(c(c1)CC)Br 34a_100010109747_100102629194 [0,2,0,0,0,0|2,0,0]=4 5867 B14R1.907 C/C=C/CNc1ccc(c(c1)CC)Br 7a_100010109747_100102629194 [0,2,0,0,0,0|2,0,0]=4 5868 B14R1.907 C/C=C/CNc1ccc(c(c1)OC)Br 34a_100000765947_100102629194 [0,2,0,0,0,0|1,0,0]=3 5869 B14R1.907 C/C=C/CNc1ccc(c(c1)OC)C 34a_100011279678_100102629194 [0,2,0,0,0,0|1,0,0]=3 5870 B14R1.907 C/C=C/CNc1ccc(c(c1)OC)Cl 34a_100000742311_100102629194 [0,2,0,0,0,0|1,0,0]=3 5871 B14R1.907 C/C=C/CNc1ccc(c(c1)OC)F 34a_100000701188_100102629194 [0,2,0,0,0,0|1,0,0]=3 5872 B14R1.907 C/C=C/CNc1ccc(c(c1)OC)I 34a_100000746945_100102629194 [0,2,0,0,0,0|1,0,0]=3 5873 B14R1.907 C/C=C/CNc1ccc(c(c1)OC)O 34a_100000726020_100102629194 [0,2,0,0,0,0|0,0,0]=2 5874 B14R1.907 C/C=C/COc1ccc(c(c1)CC)Cl 34a_100000212063_100102629194 [0,2,0,0,0,0|2,0,0]=4 5875 B14R1.907 C/C=C/COc1ccc(c(c1)CC)Cl 7a_100000212063_100102629194 [0,2,0,0,0,0|2,0,0]=4 5876 B14R1.907 C/C=C/COc1ccc(c(c1)OC)Br 34a_100011827694_100102629194 [0,2,0,0,0,0|1,0,0]=3 5877 B14R1.907 C/C=C/COc1ccc(c(c1)OC)Br 7a_100011827694_100102629194 [0,2,0,0,0,0|1,0,0]=3 5878 B14R1.907 C/C=C/COc1ccc(c(c1)OC)C 34a_100009865632_100102629194 [0,2,0,0,0,0|1,0,0]=3 5879 B14R1.907 C/C=C/COc1ccc(c(c1)OC)C 7a_100009865632_100102629194 [0,2,0,0,0,0|1,0,0]=3 5880 B14R1.907 C/C=C/COc1ccc(c(c1)OC)Cl 34a_100012186310_100102629194 [0,2,0,0,0,0|1,0,0]=3 5881 B14R1.907 C/C=C/COc1ccc(c(c1)OC)Cl 7a_100012186310_100102629194 [0,2,0,0,0,0|1,0,0]=3 5882 B14R1.907 C/C=C/COc1ccc(c(c1)OC)F 34a_100012001760_100102629194 [0,2,0,0,0,0|1,0,0]=3 5883 B14R1.907 C/C=C/COc1ccc(c(c1)OC)F 7a_100012001760_100102629194 [0,2,0,0,0,0|1,0,0]=3 5884 B14R1.907 C/C=C/COc1ccc(c(c1)OC)N 34a_100015326901_100102629194 [0,2,0,0,0,0|1,0,0]=3 5885 B14R1.907 C/C=C/COc1ccc(c(c1)OC)N 7a_100015326901_100102629194 [0,2,0,0,0,0|1,0,0]=3 5886 B14R1.907 C/C=C/CSc1c[nH]c(=O)c(c1)OC 62a_100102629194_100010125397 [0,2,0,0,0,0|1,0,1]=4 5887 B14R1.907 C/C=C/CSc1cc(c(cn1)C)OC 62a_100010067687_100102629194 [0,2,0,0,0,0|2,0,0]=4 5888 B14R1.907 C/C=C/CSc1cc(c(cn1)C)OC 62a_100102629194_100010067687 [0,2,0,0,0,0|2,0,0]=4 5889 B14R1.907 C/C=C/CSc1cc(c(cn1)F)OC 62a_100102629194_200010136270 [0,2,0,0,0,0|2,0,0]=4 5890 B14R1.907 C/C=C/CSc1cc(c(cn1)F)OC 62a_200010136270_100102629194 [0,2,0,0,0,0|2,0,0]=4 5891 B14R1.907 C/C=C/CSc1cc(c(cn1)N)OC 62a_100009887741_100102629194 [0,2,0,0,0,0|2,0,0]=4 5892 B14R1.907 C/C=C/CSc1cc(c(cn1)N)OC 62a_100102629194_100009887741 [0,2,0,0,0,0|2,0,0]=4 5893 B14R1.907 C/C=C/CSc1ccc(c(c1)C#N)O 62a_100102629194_100000687585 [0,2,0,0,0,0|2,0,0]=4 5894 B14R1.907 C/C=C/CSc1ccc(c(c1)C=O)O 62a_100102629194_100000186750 [0,2,0,0,0,0|2,0,0]=4 5895 B14R1.907 C/C=C/CSc1ccc(c(c1)CC)Br 62a_100010244631_100102629194 [0,2,0,0,0,0|2,0,0]=4 5896 B14R1.907 C/C=C/CSc1ccc(c(c1)CC)Br 62a_100102629194_100010244631 [0,2,0,0,0,0|2,0,0]=4 5897 B14R1.907 C/C=C/CSc1ccc(c(c1)CC)F 62a_100010244625_100102629194 [0,2,0,0,0,0|2,0,0]=4 5898 B14R1.907 C/C=C/CSc1ccc(c(c1)CC)F 62a_100102629194_100010244625 [0,2,0,0,0,0|2,0,0]=4 5899 B14R1.907 C/C=C/CSc1ccc(c(c1)CC)N 62a_100000686106_100102629194 [0,2,0,0,0,0|2,0,0]=4 5900 B14R1.907 C/C=C/CSc1ccc(c(c1)CC)N 62a_100102629194_100000686106 [0,2,0,0,0,0|2,0,0]=4 5901 B14R1.907 C/C=C/CSc1ccc(c(c1)CC)O 62a_100102629194_100012338938 [0,2,0,0,0,0|1,0,0]=3 5902 B14R1.907 C/C=C/CSc1ccc(c(c1)CN)O 62a_100000730032_100102629194 [0,2,0,0,0,0|2,0,0]=4 5903 B14R1.907 C/C=C/CSc1ccc(c(c1)CN)O 62a_100102629194_100000730032 [0,2,0,0,0,0|2,0,0]=4 5904 B14R1.907 C/C=C/CSc1ccc(c(c1)CO)O 62a_100000184703_100102629194 [0,2,0,0,0,0|2,0,0]=4 5905 B14R1.907 C/C=C/CSc1ccc(c(c1)CO)O 62a_100102629194_100000184703 [0,2,0,0,0,0|2,0,0]=4 5906 B14R1.907 C/C=C/CSc1ccc(c(c1)NC)C 62a_100020629602_100102629194 [0,2,0,0,0,0|2,0,0]=4 5907 B14R1.907 C/C=C/CSc1ccc(c(c1)NC)C 62a_100102629194_100020629602 [0,2,0,0,0,0|2,0,0]=4 5908 B14R1.907 C/C=C/CSc1ccc(c(c1)NC)F 62a_100011314990_100102629194 [0,2,0,0,0,0|2,0,0]=4 5909 B14R1.907 C/C=C/CSc1ccc(c(c1)NC)F 62a_100102629194_100011314990 [0,2,0,0,0,0|2,0,0]=4 5910 B14R1.907 C/C=C/CSc1ccc(c(c1)NC)N 62a_100000694363_100102629194 [0,2,0,0,0,0|2,0,0]=4 5911 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)Br 62a_100012353699_100102629194 [0,2,0,0,0,0|1,0,0]=3 5912 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)Br 62a_100102629194_100012353699 [0,2,0,0,0,0|1,0,0]=3 5913 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)C 62a_100011830276_100102629194 [0,2,0,0,0,0|1,0,0]=3 5914 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)C 62a_100102629194_100011830276 [0,2,0,0,0,0|1,0,0]=3 5915 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)Cl 62a_100011356853_100102629194 [0,2,0,0,0,0|1,0,0]=3 5916 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)Cl 62a_100102629194_100011356853 [0,2,0,0,0,0|1,0,0]=3 5917 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)F 62a_100011934186_100102629194 [0,2,0,0,0,0|1,0,0]=3 5918 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)F 62a_100102629194_100011934186 [0,2,0,0,0,0|1,0,0]=3 5919 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)N 62a_100011279103_100102629194 [0,2,0,0,0,0|1,0,0]=3 5920 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)N 62a_100102629194_100015196925 [0,2,0,0,0,0|1,0,0]=3 5921 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)O 62a_100102629194_100000694246 [0,2,0,0,0,0|0,0,0]=2 5922 B14R1.907 C/C=C/CSc1ccc(c(c1)SC)F 62a_100010341305_100102629194 [0,2,0,0,0,0|1,1,0]=4 5923 B14R1.907 C/C=C/CSc1ccc(c(c1)SC)F 62a_100102629194_100010341305 [0,2,0,0,0,0|1,1,0]=4 5924 B14R1.907 C/C=C/CSc1ccc(c(n1)OC)N 62a_100000687816_100102629194 [0,2,0,0,0,0|2,0,0]=4 5925 B14R1.907 C/C=C/CSc1ccc(c(n1)OC)N 62a_100102629194_100000687816 [0,2,0,0,0,0|2,0,0]=4 5926 B14R1.907 C/C=C/CSc1ccc(c(n1)OC)O 62a_100102629194_100010893133 [0,2,0,0,0,0|1,0,0]=3 5927 B14R1.907 C/C=C/CSc1cnc(c(c1)OC)C 62a_100010254219_100102629194 [0,2,0,0,0,0|2,0,0]=4 5928 B14R1.907 C/C=C/CSc1cnc(c(c1)OC)C 62a_100102629194_100010254219 [0,2,0,0,0,0|2,0,0]=4 5929 B14R1.907 C/C=C/CSc1cnc(c(c1)OC)F 62a_100010214931_100102629194 [0,2,0,0,0,0|2,0,0]=4 5930 B14R1.907 C/C=C/CSc1cnc(c(c1)OC)F 62a_100102629194_100010214931 [0,2,0,0,0,0|2,0,0]=4 5931 B14R1.907 C/C=C/CSc1cnc(c(c1)OC)N 62a_100102629194_106354213024 [0,2,0,0,0,0|2,0,0]=4 5932 B14R1.907 C/C=C/CSc1cnc(c(c1)OC)N 62a_106354213024_100102629194 [0,2,0,0,0,0|2,0,0]=4 5933 B14R1.907 C/C=C/CSc1cnc(c(n1)OC)O 62a_100102629194_200010365344 [0,2,0,0,0,0|2,0,0]=4 5934 B14R1.907 C/C=C/CSc1cnc(c(n1)OC)O 62a_200010365344_100102629194 [0,2,0,0,0,0|2,0,0]=4 5935 B14R1.907 C=CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000754431 [0,2,0,0,0,0|0,0,2]=4 5936 B14R1.907 C=CCCSc1ccc(c(c1)OC)O 62a_100000754431_100000694246 [0,2,0,0,0,0|0,0,2]=4 5937 B14R1.907 C=CCNCc1ccc(c(c1)OC)O 34a_100000185554_100015514636 [0,2,0,0,0,0|0,0,2]=4 5938 B14R1.907 CC#CCNc1ccc(c(c1)OC)O 34a_100000726020_100000748600 [0,2,0,0,0,0|0,0,2]=4 5939 B14R1.907 CC#CCSc1ccc(c(c1)OC)O 62a_100000748600_100000694246 [0,2,0,0,0,0|0,0,2]=4 5940 B14R1.907 CC=CCNc1ccc(c(c1)C#N)O 34a_100011249283_100000070051 [0,2,0,0,0,0|2,0,0]=4 5941 B14R1.907 CC=CCNc1ccc(c(c1)CC)Br 2230a_100010109747_100000070051 [0,2,0,0,0,0|2,0,0]=4 5942 B14R1.907 CC=CCNc1ccc(c(c1)CC)Br 34a_100010109747_100000070051 [0,2,0,0,0,0|2,0,0]=4 5943 B14R1.907 CC=CCNc1ccc(c(c1)CC)Br 7a_100010109747_100000070051 [0,2,0,0,0,0|2,0,0]=4 5944 B14R1.907 CC=CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000070051 [0,2,0,0,0,0|1,0,0]=3 5945 B14R1.907 CC=CCNc1ccc(c(c1)OC)Br 34a_100000765947_100000070051 [0,2,0,0,0,0|1,0,0]=3 5946 B14R1.907 CC=CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000070051 [0,2,0,0,0,0|1,0,0]=3 5947 B14R1.907 CC=CCNc1ccc(c(c1)OC)C 34a_100011279678_100000070051 [0,2,0,0,0,0|1,0,0]=3 5948 B14R1.907 CC=CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000070051 [0,2,0,0,0,0|1,0,0]=3 5949 B14R1.907 CC=CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000070051 [0,2,0,0,0,0|1,0,0]=3 5950 B14R1.907 CC=CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000070051 [0,2,0,0,0,0|1,0,0]=3 5951 B14R1.907 CC=CCNc1ccc(c(c1)OC)F 34a_100000701188_100000070051 [0,2,0,0,0,0|1,0,0]=3 5952 B14R1.907 CC=CCNc1ccc(c(c1)OC)I 34a_100000746945_100000070051 [0,2,0,0,0,0|1,0,0]=3 5953 B14R1.907 CC=CCNc1ccc(c(c1)OC)O 34a_100000726020_100000070051 [0,2,0,0,0,0|0,0,0]=2 5954 B14R1.907 CC=CCOc1ccc(c(c1)CC)Cl 34a_100000212063_100000070051 [0,2,0,0,0,0|2,0,0]=4 5955 B14R1.907 CC=CCOc1ccc(c(c1)CC)Cl 7a_100000212063_100000070051 [0,2,0,0,0,0|2,0,0]=4 5956 B14R1.907 CC=CCOc1ccc(c(c1)OC)Br 34a_100011827694_100000070051 [0,2,0,0,0,0|1,0,0]=3 5957 B14R1.907 CC=CCOc1ccc(c(c1)OC)Br 7a_100011827694_100000070051 [0,2,0,0,0,0|1,0,0]=3 5958 B14R1.907 CC=CCOc1ccc(c(c1)OC)C 34a_100009865632_100000070051 [0,2,0,0,0,0|1,0,0]=3 5959 B14R1.907 CC=CCOc1ccc(c(c1)OC)C 7a_100009865632_100000070051 [0,2,0,0,0,0|1,0,0]=3 5960 B14R1.907 CC=CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000070051 [0,2,0,0,0,0|1,0,0]=3 5961 B14R1.907 CC=CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000070051 [0,2,0,0,0,0|1,0,0]=3 5962 B14R1.907 CC=CCOc1ccc(c(c1)OC)F 34a_100012001760_100000070051 [0,2,0,0,0,0|1,0,0]=3 5963 B14R1.907 CC=CCOc1ccc(c(c1)OC)F 7a_100012001760_100000070051 [0,2,0,0,0,0|1,0,0]=3 5964 B14R1.907 CC=CCOc1ccc(c(c1)OC)N 34a_100015326901_100000070051 [0,2,0,0,0,0|1,0,0]=3 5965 B14R1.907 CC=CCOc1ccc(c(c1)OC)N 7a_100015326901_100000070051 [0,2,0,0,0,0|1,0,0]=3 5966 B14R1.907 CC=CCSc1c[nH]c(=O)c(c1)OC 62a_100000070051_100010125397 [0,2,0,0,0,0|1,0,1]=4 5967 B14R1.907 CC=CCSc1cc(c(cn1)C)OC 62a_100000070051_100010067687 [0,2,0,0,0,0|2,0,0]=4 5968 B14R1.907 CC=CCSc1cc(c(cn1)C)OC 62a_100010067687_100000070051 [0,2,0,0,0,0|2,0,0]=4 5969 B14R1.907 CC=CCSc1cc(c(cn1)F)OC 62a_100000070051_200010136270 [0,2,0,0,0,0|2,0,0]=4 5970 B14R1.907 CC=CCSc1cc(c(cn1)F)OC 62a_200010136270_100000070051 [0,2,0,0,0,0|2,0,0]=4 5971 B14R1.907 CC=CCSc1cc(c(cn1)N)OC 62a_100000070051_100009887741 [0,2,0,0,0,0|2,0,0]=4 5972 B14R1.907 CC=CCSc1cc(c(cn1)N)OC 62a_100009887741_100000070051 [0,2,0,0,0,0|2,0,0]=4 5973 B14R1.907 CC=CCSc1ccc(c(c1)C#N)O 62a_100000070051_100000687585 [0,2,0,0,0,0|2,0,0]=4 5974 B14R1.907 CC=CCSc1ccc(c(c1)C=O)O 62a_100000070051_100000186750 [0,2,0,0,0,0|2,0,0]=4 5975 B14R1.907 CC=CCSc1ccc(c(c1)CC)Br 62a_100000070051_100010244631 [0,2,0,0,0,0|2,0,0]=4 5976 B14R1.907 CC=CCSc1ccc(c(c1)CC)Br 62a_100010244631_100000070051 [0,2,0,0,0,0|2,0,0]=4 5977 B14R1.907 CC=CCSc1ccc(c(c1)CC)F 62a_100000070051_100010244625 [0,2,0,0,0,0|2,0,0]=4 5978 B14R1.907 CC=CCSc1ccc(c(c1)CC)F 62a_100010244625_100000070051 [0,2,0,0,0,0|2,0,0]=4 5979 B14R1.907 CC=CCSc1ccc(c(c1)CC)N 62a_100000070051_100000686106 [0,2,0,0,0,0|2,0,0]=4 5980 B14R1.907 CC=CCSc1ccc(c(c1)CC)N 62a_100000686106_100000070051 [0,2,0,0,0,0|2,0,0]=4 5981 B14R1.907 CC=CCSc1ccc(c(c1)CC)O 62a_100000070051_100012338938 [0,2,0,0,0,0|1,0,0]=3 5982 B14R1.907 CC=CCSc1ccc(c(c1)CN)O 62a_100000070051_100000730032 [0,2,0,0,0,0|2,0,0]=4 5983 B14R1.907 CC=CCSc1ccc(c(c1)CN)O 62a_100000730032_100000070051 [0,2,0,0,0,0|2,0,0]=4 5984 B14R1.907 CC=CCSc1ccc(c(c1)CO)O 62a_100000070051_100000184703 [0,2,0,0,0,0|2,0,0]=4 5985 B14R1.907 CC=CCSc1ccc(c(c1)CO)O 62a_100000184703_100000070051 [0,2,0,0,0,0|2,0,0]=4 5986 B14R1.907 CC=CCSc1ccc(c(c1)NC)C 62a_100000070051_100020629602 [0,2,0,0,0,0|2,0,0]=4 5987 B14R1.907 CC=CCSc1ccc(c(c1)NC)C 62a_100020629602_100000070051 [0,2,0,0,0,0|2,0,0]=4 5988 B14R1.907 CC=CCSc1ccc(c(c1)NC)F 62a_100000070051_100011314990 [0,2,0,0,0,0|2,0,0]=4 5989 B14R1.907 CC=CCSc1ccc(c(c1)NC)F 62a_100011314990_100000070051 [0,2,0,0,0,0|2,0,0]=4 5990 B14R1.907 CC=CCSc1ccc(c(c1)NC)N 62a_100000694363_100000070051 [0,2,0,0,0,0|2,0,0]=4 5991 B14R1.907 CC=CCSc1ccc(c(c1)OC)Br 62a_100000070051_100012353699 [0,2,0,0,0,0|1,0,0]=3 5992 B14R1.907 CC=CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000070051 [0,2,0,0,0,0|1,0,0]=3 5993 B14R1.907 CC=CCSc1ccc(c(c1)OC)C 62a_100000070051_100011830276 [0,2,0,0,0,0|1,0,0]=3 5994 B14R1.907 CC=CCSc1ccc(c(c1)OC)C 62a_100011830276_100000070051 [0,2,0,0,0,0|1,0,0]=3 5995 B14R1.907 CC=CCSc1ccc(c(c1)OC)Cl 62a_100000070051_100011356853 [0,2,0,0,0,0|1,0,0]=3 5996 B14R1.907 CC=CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000070051 [0,2,0,0,0,0|1,0,0]=3 5997 B14R1.907 CC=CCSc1ccc(c(c1)OC)F 62a_100000070051_100011934186 [0,2,0,0,0,0|1,0,0]=3 5998 B14R1.907 CC=CCSc1ccc(c(c1)OC)F 62a_100011934186_100000070051 [0,2,0,0,0,0|1,0,0]=3 5999 B14R1.907 CC=CCSc1ccc(c(c1)OC)N 62a_100000070051_100015196925 [0,2,0,0,0,0|1,0,0]=3 6000 B14R1.907 CC=CCSc1ccc(c(c1)OC)N 62a_100011279103_100000070051 [0,2,0,0,0,0|1,0,0]=3 6001 B14R1.907 CC=CCSc1ccc(c(c1)OC)O 62a_100000070051_100000694246 [0,2,0,0,0,0|0,0,0]=2 6002 B14R1.907 CC=CCSc1ccc(c(c1)SC)F 62a_100000070051_100010341305 [0,2,0,0,0,0|1,1,0]=4 6003 B14R1.907 CC=CCSc1ccc(c(c1)SC)F 62a_100010341305_100000070051 [0,2,0,0,0,0|1,1,0]=4 6004 B14R1.907 CC=CCSc1ccc(c(n1)OC)N 62a_100000070051_100000687816 [0,2,0,0,0,0|2,0,0]=4 6005 B14R1.907 CC=CCSc1ccc(c(n1)OC)N 62a_100000687816_100000070051 [0,2,0,0,0,0|2,0,0]=4 6006 B14R1.907 CC=CCSc1ccc(c(n1)OC)O 62a_100000070051_100010893133 [0,2,0,0,0,0|1,0,0]=3 6007 B14R1.907 CC=CCSc1cnc(c(c1)OC)C 62a_100000070051_100010254219 [0,2,0,0,0,0|2,0,0]=4 6008 B14R1.907 CC=CCSc1cnc(c(c1)OC)C 62a_100010254219_100000070051 [0,2,0,0,0,0|2,0,0]=4 6009 B14R1.907 CC=CCSc1cnc(c(c1)OC)F 62a_100000070051_100010214931 [0,2,0,0,0,0|2,0,0]=4 6010 B14R1.907 CC=CCSc1cnc(c(c1)OC)F 62a_100010214931_100000070051 [0,2,0,0,0,0|2,0,0]=4 6011 B14R1.907 CC=CCSc1cnc(c(c1)OC)N 62a_100000070051_106354213024 [0,2,0,0,0,0|2,0,0]=4 6012 B14R1.907 CC=CCSc1cnc(c(c1)OC)N 62a_106354213024_100000070051 [0,2,0,0,0,0|2,0,0]=4 6013 B14R1.907 CC=CCSc1cnc(c(n1)OC)O 62a_100000070051_200010365344 [0,2,0,0,0,0|2,0,0]=4 6014 B14R1.907 CC=CCSc1cnc(c(n1)OC)O 62a_200010365344_100000070051 [0,2,0,0,0,0|2,0,0]=4 6015 B14R1.907 CCC=NNc1ccc(c(c1)OC)F 4a_102515433066_100000210100 [0,2,0,0,0,0|1,0,1]=4 6016 B14R1.907 CCCC=Cc1c[nH]c(=O)c(c1)OC 271570a_100016258520_100010125397 [0,2,0,0,0,0|1,0,1]=4 6017 B14R1.907 CCCC=Cc1cc(c(cn1)C)OC 271570a_100016258520_100010067687 [0,2,0,0,0,0|2,0,0]=4 6018 B14R1.907 CCCC=Cc1cc(c(cn1)F)OC 271570a_100016258520_200010136270 [0,2,0,0,0,0|2,0,0]=4 6019 B14R1.907 CCCC=Cc1cc(c(cn1)N)OC 271570a_100016258520_100009887741 [0,2,0,0,0,0|2,0,0]=4 6020 B14R1.907 CCCC=Cc1ccc(c(c1)C#N)O 271570a_100016258520_100000687585 [0,2,0,0,0,0|2,0,0]=4 6021 B14R1.907 CCCC=Cc1ccc(c(c1)C=O)O 271570a_100016258520_100000186750 [0,2,0,0,0,0|2,0,0]=4 6022 B14R1.907 CCCC=Cc1ccc(c(c1)CC)Br 271570a_100016258520_100010244631 [0,2,0,0,0,0|2,0,0]=4 6023 B14R1.907 CCCC=Cc1ccc(c(c1)CC)F 271570a_100016258520_100010244625 [0,2,0,0,0,0|2,0,0]=4 6024 B14R1.907 CCCC=Cc1ccc(c(c1)CC)N 271570a_100016258520_100000686106 [0,2,0,0,0,0|2,0,0]=4 6025 B14R1.907 CCCC=Cc1ccc(c(c1)CC)O 271570a_100016258520_100012338938 [0,2,0,0,0,0|1,0,0]=3 6026 B14R1.907 CCCC=Cc1ccc(c(c1)CN)O 271570a_100016258520_100000730032 [0,2,0,0,0,0|2,0,0]=4 6027 B14R1.907 CCCC=Cc1ccc(c(c1)CO)O 271570a_100016258520_100000184703 [0,2,0,0,0,0|2,0,0]=4 6028 B14R1.907 CCCC=Cc1ccc(c(c1)NC)C 271570a_100016258520_100020629602 [0,2,0,0,0,0|2,0,0]=4 6029 B14R1.907 CCCC=Cc1ccc(c(c1)NC)F 271570a_100016258520_100011314990 [0,2,0,0,0,0|2,0,0]=4 6030 B14R1.907 CCCC=Cc1ccc(c(c1)NC)N 271570a_100016258520_100000694363 [0,2,0,0,0,0|2,0,0]=4 6031 B14R1.907 CCCC=Cc1ccc(c(c1)OC)Br 271570a_100016258520_100012353699 [0,2,0,0,0,0|1,0,0]=3 6032 B14R1.907 CCCC=Cc1ccc(c(c1)OC)C 271570a_100016258520_100011830276 [0,2,0,0,0,0|1,0,0]=3 6033 B14R1.907 CCCC=Cc1ccc(c(c1)OC)Cl 271570a_100016258520_100011356853 [0,2,0,0,0,0|1,0,0]=3 6034 B14R1.907 CCCC=Cc1ccc(c(c1)OC)F 271570a_100016258520_100011934186 [0,2,0,0,0,0|1,0,0]=3 6035 B14R1.907 CCCC=Cc1ccc(c(c1)OC)N 271570a_100016258520_100011279103 [0,2,0,0,0,0|1,0,0]=3 6036 B14R1.907 CCCC=Cc1ccc(c(c1)OC)O 271570a_100016258520_100000694246 [0,2,0,0,0,0|0,0,0]=2 6037 B14R1.907 CCCC=Cc1ccc(c(c1)SC)F 271570a_100016258520_100010341305 [0,2,0,0,0,0|1,1,0]=4 6038 B14R1.907 CCCC=Cc1ccc(c(n1)OC)N 271570a_100016258520_100000687816 [0,2,0,0,0,0|2,0,0]=4 6039 B14R1.907 CCCC=Cc1ccc(c(n1)OC)O 271570a_100016258520_100010893133 [0,2,0,0,0,0|1,0,0]=3 6040 B14R1.907 CCCC=Cc1cnc(c(c1)OC)C 271570a_100016258520_100010254219 [0,2,0,0,0,0|2,0,0]=4 6041 B14R1.907 CCCC=Cc1cnc(c(c1)OC)F 271570a_100016258520_100010214931 [0,2,0,0,0,0|2,0,0]=4 6042 B14R1.907 CCCC=Cc1cnc(c(c1)OC)N 271570a_100016258520_106354213024 [0,2,0,0,0,0|2,0,0]=4 6043 B14R1.907 CCCC=Cc1cnc(c(n1)OC)O 271570a_100016258520_200010365344 [0,2,0,0,0,0|2,0,0]=4 6044 B14R1.907 CCCCNc1ccc(c(c1)OC)O 34a_100000726020_100000210210 [0,2,0,0,0,0|0,0,2]=4 6045 B14R1.907 CCCCSc1ccc(c(c1)OC)O 62a_100000210211_100000694246 [0,2,0,0,0,0|0,0,2]=4 6046 B14R1.907 CCCNCc1ccc(c(c1)OC)O 34a_100000185554_100000210303 [0,2,0,0,0,0|0,0,2]=4 6047 B14R1.907 CCNCCc1ccc(c(c1)OC)O 2230a_100015525214_100010741665 [0,2,0,0,0,0|0,0,2]=4 6048 B14R1.907 CCNCCc1ccc(c(c1)OC)O 34a_100000756042_100000210202 [0,2,0,0,0,0|0,0,2]=4 6049 B14R1.907 CCNN=Cc1ccc(c(c1)OC)Br 4a_100000756455_100010244714 [0,2,0,0,0,0|1,0,1]=4 6050 B14R1.907 CCNN=Cc1ccc(c(c1)OC)C 4a_100000756455_100000719150 [0,2,0,0,0,0|1,0,1]=4 6051 B14R1.907 CCNN=Cc1ccc(c(c1)OC)Cl 4a_100000756455_100011998524 [0,2,0,0,0,0|1,0,1]=4 6052 B14R1.907 CCNN=Cc1ccc(c(c1)OC)F 4a_100000756455_100000692873 [0,2,0,0,0,0|1,0,1]=4 6053 B14R1.907 CCNN=Cc1ccc(c(c1)OC)O 4a_100000756455_100000188322 [0,2,0,0,0,0|0,0,1]=3 6054 B14R1.907 CCOC=Cc1c[nH]c(=O)c(c1)OC 271570a_100016256518_100010125397 [0,2,0,0,0,0|1,0,1]=4 6055 B14R1.907 CCOC=Cc1cc(c(cn1)C)OC 271570a_100016256518_100010067687 [0,2,0,0,0,0|2,0,0]=4 6056 B14R1.907 CCOC=Cc1cc(c(cn1)F)OC 271570a_100016256518_200010136270 [0,2,0,0,0,0|2,0,0]=4 6057 B14R1.907 CCOC=Cc1cc(c(cn1)N)OC 271570a_100016256518_100009887741 [0,2,0,0,0,0|2,0,0]=4 6058 B14R1.907 CCOC=Cc1ccc(c(c1)C#N)O 271570a_100016256518_100000687585 [0,2,0,0,0,0|2,0,0]=4 6059 B14R1.907 CCOC=Cc1ccc(c(c1)C=O)O 271570a_100016256518_100000186750 [0,2,0,0,0,0|2,0,0]=4 6060 B14R1.907 CCOC=Cc1ccc(c(c1)CC)Br 271570a_100016256518_100010244631 [0,2,0,0,0,0|2,0,0]=4 6061 B14R1.907 CCOC=Cc1ccc(c(c1)CC)F 271570a_100016256518_100010244625 [0,2,0,0,0,0|2,0,0]=4 6062 B14R1.907 CCOC=Cc1ccc(c(c1)CC)N 271570a_100016256518_100000686106 [0,2,0,0,0,0|2,0,0]=4 6063 B14R1.907 CCOC=Cc1ccc(c(c1)CC)O 271570a_100016256518_100012338938 [0,2,0,0,0,0|1,0,0]=3 6064 B14R1.907 CCOC=Cc1ccc(c(c1)CN)O 271570a_100016256518_100000730032 [0,2,0,0,0,0|2,0,0]=4 6065 B14R1.907 CCOC=Cc1ccc(c(c1)CO)O 271570a_100016256518_100000184703 [0,2,0,0,0,0|2,0,0]=4 6066 B14R1.907 CCOC=Cc1ccc(c(c1)NC)C 271570a_100016256518_100020629602 [0,2,0,0,0,0|2,0,0]=4 6067 B14R1.907 CCOC=Cc1ccc(c(c1)NC)F 271570a_100016256518_100011314990 [0,2,0,0,0,0|2,0,0]=4 6068 B14R1.907 CCOC=Cc1ccc(c(c1)NC)N 271570a_100016256518_100000694363 [0,2,0,0,0,0|2,0,0]=4 6069 B14R1.907 CCOC=Cc1ccc(c(c1)OC)Br 271570a_100016256518_100012353699 [0,2,0,0,0,0|1,0,0]=3 6070 B14R1.907 CCOC=Cc1ccc(c(c1)OC)C 271570a_100016256518_100011830276 [0,2,0,0,0,0|1,0,0]=3 6071 B14R1.907 CCOC=Cc1ccc(c(c1)OC)Cl 271570a_100016256518_100011356853 [0,2,0,0,0,0|1,0,0]=3 6072 B14R1.907 CCOC=Cc1ccc(c(c1)OC)F 271570a_100016256518_100011934186 [0,2,0,0,0,0|1,0,0]=3 6073 B14R1.907 CCOC=Cc1ccc(c(c1)OC)N 271570a_100016256518_100011279103 [0,2,0,0,0,0|1,0,0]=3 6074 B14R1.907 CCOC=Cc1ccc(c(c1)OC)O 271570a_100016256518_100000694246 [0,2,0,0,0,0|0,0,0]=2 6075 B14R1.907 CCOC=Cc1ccc(c(c1)SC)F 271570a_100016256518_100010341305 [0,2,0,0,0,0|1,1,0]=4 6076 B14R1.907 CCOC=Cc1ccc(c(n1)OC)N 271570a_100016256518_100000687816 [0,2,0,0,0,0|2,0,0]=4 6077 B14R1.907 CCOC=Cc1ccc(c(n1)OC)O 271570a_100016256518_100010893133 [0,2,0,0,0,0|1,0,0]=3 6078 B14R1.907 CCOC=Cc1cnc(c(c1)OC)C 271570a_100016256518_100010254219 [0,2,0,0,0,0|2,0,0]=4 6079 B14R1.907 CCOC=Cc1cnc(c(c1)OC)F 271570a_100016256518_100010214931 [0,2,0,0,0,0|2,0,0]=4 6080 B14R1.907 CCOC=Cc1cnc(c(c1)OC)N 271570a_100016256518_106354213024 [0,2,0,0,0,0|2,0,0]=4 6081 B14R1.907 CCOC=Cc1cnc(c(n1)OC)O 271570a_100016256518_200010365344 [0,2,0,0,0,0|2,0,0]=4 6082 B14R1.907 CCOCSc1ccc(c(c1)OC)O 62a_100000739092_100000694246 [0,2,0,0,0,0|0,0,2]=4 6083 B14R1.907 CCSCCc1ccc(c(c1)OC)O 62a_100000210202_100010741665 [0,2,0,0,0,0|0,0,2]=4 6084 B14R1.907 CCc1cc(ccc1Br)C=CCOC 271570a_100016286323_100010244631 [0,2,0,0,0,0|2,0,0]=4 6085 B14R1.907 CCc1cc(ccc1F)C=CCOC 271570a_100016286323_100010244625 [0,2,0,0,0,0|2,0,0]=4 6086 B14R1.907 CCc1cc(ccc1N)C=CCOC 271570a_100016286323_100000686106 [0,2,0,0,0,0|2,0,0]=4 6087 B14R1.907 CCc1cc(ccc1O)C=CCOC 271570a_100016286323_100012338938 [0,2,0,0,0,0|1,0,0]=3 6088 B14R1.907 CNc1cc(ccc1C)C=CCOC 271570a_100016286323_100020629602 [0,2,0,0,0,0|2,0,0]=4 6089 B14R1.907 CNc1cc(ccc1F)C=CCOC 271570a_100016286323_100011314990 [0,2,0,0,0,0|2,0,0]=4 6090 B14R1.907 CNc1cc(ccc1N)C=CCOC 271570a_100016286323_100000694363 [0,2,0,0,0,0|2,0,0]=4 6091 B14R1.907 COCC=Cc1c[nH]c(=O)c(c1)OC 271570a_100016286323_100010125397 [0,2,0,0,0,0|1,0,1]=4 6092 B14R1.907 COCC=Cc1cc(c(cn1)C)OC 271570a_100016286323_100010067687 [0,2,0,0,0,0|2,0,0]=4 6093 B14R1.907 COCC=Cc1cc(c(cn1)F)OC 271570a_100016286323_200010136270 [0,2,0,0,0,0|2,0,0]=4 6094 B14R1.907 COCC=Cc1cc(c(cn1)N)OC 271570a_100016286323_100009887741 [0,2,0,0,0,0|2,0,0]=4 6095 B14R1.907 COCC=Cc1ccc(c(c1)C#N)O 271570a_100016286323_100000687585 [0,2,0,0,0,0|2,0,0]=4 6096 B14R1.907 COCC=Cc1ccc(c(c1)C=O)O 271570a_100016286323_100000186750 [0,2,0,0,0,0|2,0,0]=4 6097 B14R1.907 COCC=Cc1ccc(c(c1)CN)O 271570a_100016286323_100000730032 [0,2,0,0,0,0|2,0,0]=4 6098 B14R1.907 COCC=Cc1ccc(c(c1)CO)O 271570a_100016286323_100000184703 [0,2,0,0,0,0|2,0,0]=4 6099 B14R1.907 COCC=Cc1ccc(c(c1)OC)Br 271570a_100016286323_100012353699 [0,2,0,0,0,0|1,0,0]=3 6100 B14R1.907 COCC=Cc1ccc(c(c1)OC)C 271570a_100016286323_100011830276 [0,2,0,0,0,0|1,0,0]=3 6101 B14R1.907 COCC=Cc1ccc(c(c1)OC)Cl 271570a_100016286323_100011356853 [0,2,0,0,0,0|1,0,0]=3 6102 B14R1.907 COCC=Cc1ccc(c(c1)OC)F 271570a_100016286323_100011934186 [0,2,0,0,0,0|1,0,0]=3 6103 B14R1.907 COCC=Cc1ccc(c(c1)OC)N 271570a_100016286323_100011279103 [0,2,0,0,0,0|1,0,0]=3 6104 B14R1.907 COCC=Cc1ccc(c(c1)OC)O 271570a_100016286323_100000694246 [0,2,0,0,0,0|0,0,0]=2 6105 B14R1.907 COCC=Cc1ccc(c(c1)SC)F 271570a_100016286323_100010341305 [0,2,0,0,0,0|1,1,0]=4 6106 B14R1.907 COCC=Cc1ccc(c(n1)OC)N 271570a_100016286323_100000687816 [0,2,0,0,0,0|2,0,0]=4 6107 B14R1.907 COCC=Cc1ccc(c(n1)OC)O 271570a_100016286323_100010893133 [0,2,0,0,0,0|1,0,0]=3 6108 B14R1.907 COCC=Cc1cnc(c(c1)OC)C 271570a_100016286323_100010254219 [0,2,0,0,0,0|2,0,0]=4 6109 B14R1.907 COCC=Cc1cnc(c(c1)OC)F 271570a_100016286323_100010214931 [0,2,0,0,0,0|2,0,0]=4 6110 B14R1.907 COCC=Cc1cnc(c(c1)OC)N 271570a_100016286323_106354213024 [0,2,0,0,0,0|2,0,0]=4 6111 B14R1.907 COCC=Cc1cnc(c(n1)OC)O 271570a_100016286323_200010365344 [0,2,0,0,0,0|2,0,0]=4 6112 B14R1.907 COCCNc1ccc(c(c1)OC)O 34a_100000726020_100011201679 [0,2,0,0,0,0|0,0,2]=4 6113 B14R1.907 COCCSc1ccc(c(c1)OC)O 62a_100000233755_100000694246 [0,2,0,0,0,0|0,0,2]=4 6114 B14R1.907 COc1cc(ccc1O)CCNCF 34a_100000756042_100015361967 [0,2,0,0,0,0|0,0,2]=4 6115 B14R1.907 COc1cc(ccc1O)CCSCF 62a_100015361967_100010741665 [0,2,0,0,0,0|0,0,2]=4 6116 B14R1.907 COc1cc(ccc1O)CNCC=O 34a_100000185554_200009817547 [0,2,0,0,0,0|1,0,1]=4 6117 B14R1.907 COc1cc(ccc1O)CNCCF 34a_100000185554_100011217306 [0,2,0,0,0,0|0,0,2]=4 6118 B14R1.907 COc1cc(ccc1O)CNCCO 34a_100000185554_100000211926 [0,2,0,0,0,0|0,0,2]=4 6119 B14R1.907 COc1cc(ccc1O)CNCSC 34a_100000185554_100011218213 [0,2,0,0,0,0|0,0,2]=4 6120 B14R1.907 COc1cc(ccc1O)NCCCF 34a_100000726020_100011934791 [0,2,0,0,0,0|0,0,2]=4 6121 B14R1.907 COc1cc(ccc1O)NCCCO 34a_100000726020_100000230001 [0,2,0,0,0,0|0,0,2]=4 6122 B14R1.907 COc1cc(ccc1O)NCCSC 34a_100000726020_100000212216 [0,2,0,0,0,0|0,0,2]=4 6123 B14R1.907 COc1cc(ccc1O)SCCC#N 62a_100011215226_100000694246 [0,2,0,0,0,0|1,0,1]=4 6124 B14R1.907 COc1cc(ccc1O)SCCCF 62a_100011934791_100000694246 [0,2,0,0,0,0|0,0,2]=4 6125 B14R1.907 COc1cc(ccc1O)SCCCO 62a_100011215043_100000694246 [0,2,0,0,0,0|0,0,2]=4 6126 B14R1.907 COc1cc(ccc1O)SCCSC 62a_100000212216_100000694246 [0,2,0,0,0,0|0,0,2]=4 6127 B14R1.4435 C=CCSc1cc(c(cc1F)O)OC 62a_100000210623_100010189133 [0,2,0,0,0,0|0,0,2]=4 6128 B14R1.4435 CCCCc1cc(c(cc1F)O)OC 271570a_100020621405_100010189133 [0,2,0,0,0,0|0,0,2]=4 6129 B14R1.4435 CCCSc1cc(c(cc1F)O)OC 62a_100000210303_100010189133 [0,2,0,0,0,0|0,0,2]=4 6130 B14R1.4435 COCSc1cc(c(cc1F)O)OC 62a_100000766300_100010189133 [0,2,0,0,0,0|1,0,1]=4 6131 B14R1.4435 COc1cc(c(cc1O)F)SCC=O 62a_200015260668_100010189133 [0,2,0,0,0,0|1,0,1]=4 6132 B14R1.4435 COc1cc(c(cc1O)F)SCCF 62a_100011217306_100010189133 [0,2,0,0,0,0|1,0,1]=4 6133 B14R1.4435 COc1cc(c(cc1O)F)SCCO 62a_100000211926_100010189133 [0,2,0,0,0,0|1,0,1]=4 6134 B14R1.4435 COc1cc(c(cc1O)F)SCSC 62a_100011218213_100010189133 [0,2,0,0,0,0|1,0,1]=4 6135 B14R1.7499 C=CCSc1cc(c(c(c1)OC)O)O 62a_100000210623_200159242197 [0,2,0,0,0,0|0,0,2]=4 6136 B14R1.7499 CCCSc1cc(c(c(c1)OC)O)O 62a_100000210303_200159242197 [0,2,0,0,0,0|0,0,2]=4 6137 B14R1.7499 COCSc1cc(c(c(c1)OC)O)O 62a_100000766300_200159242197 [0,2,0,0,0,0|1,0,1]=4 6138 B14R1.7499 COc1cc(cc(c1O)O)SCC=O 62a_200015260668_200159242197 [0,2,0,0,0,0|1,0,1]=4 6139 B14R1.7499 COc1cc(cc(c1O)O)SCCF 62a_100011217306_200159242197 [0,2,0,0,0,0|1,0,1]=4 6140 B14R1.7499 COc1cc(cc(c1O)O)SCCO 62a_100000211926_200159242197 [0,2,0,0,0,0|1,0,1]=4 6141 B14R1.7499 COc1cc(cc(c1O)O)SCSC 62a_100011218213_200159242197 [0,2,0,0,0,0|1,0,1]=4 6142 B14R1.15069 C=C=Cc1cc(c(cc1C=O)O)OC 271570a_100015277604_100000183646 [0,2,0,0,0,0|0,0,2]=4 6143 B14R1.15069 C=C=Cc1cc(c(cc1OC)O)OC 271570a_100015277604_100009816818 [0,2,0,0,0,0|0,0,2]=4 6144 B14R1.15069 CC=Cc1cc(c(cc1C=O)O)OC 271570a_100016259895_100000183646 [0,2,0,0,0,0|0,0,0]=2 6145 B14R1.15069 CC=Cc1cc(c(cc1OC)Br)OC 271570a_100016259895_100013799044 [0,2,0,0,0,0|1,0,0]=3 6146 B14R1.15069 CC=Cc1cc(c(cc1OC)C)OC 271570a_100016259895_100000039368 [0,2,0,0,0,0|1,0,0]=3 6147 B14R1.15069 CC=Cc1cc(c(cc1OC)Cl)OC 271570a_100016259895_100000023288 [0,2,0,0,0,0|1,0,0]=3 6148 B14R1.15069 CC=Cc1cc(c(cc1OC)O)C=O 271570a_100016259895_100009998278 [0,2,0,0,0,0|2,0,0]=4 6149 B14R1.15069 CC=Cc1cc(c(cc1OC)O)OC 271570a_100016259895_100009816818 [0,2,0,0,0,0|0,0,0]=2 6150 B14R1.15069 CCSc1cc(c(cc1C=O)O)OC 62a_100000210202_100000183646 [0,2,0,0,0,0|1,0,1]=4 6151 B14R1.3236 C=C=Cc1cc(c(c(c1)OC)O)CO 271570a_100015277604_100000185604 [0,2,0,0,0,0|0,0,2]=4 6152 B14R1.3236 C=C=Cc1cc(c(c(c1)OC)O)OC 271570a_100015277604_100000691893 [0,2,0,0,0,0|0,0,2]=4 6153 B14R1.3236 CC=Cc1cc(c(c(c1)CC)N)CC 271570a_100016259895_100011216614 [0,2,0,0,0,0|2,0,0]=4 6154 B14R1.3236 CC=Cc1cc(c(c(c1)OC)F)OC 271570a_100016259895_100015304952 [0,2,0,0,0,0|1,0,0]=3 6155 B14R1.3236 CC=Cc1cc(c(c(c1)OC)N)C#N 271570a_100016259895_200010734157 [0,2,0,0,0,0|1,0,0]=3 6156 B14R1.3236 CC=Cc1cc(c(c(c1)OC)N)CO 271570a_100016259895_100010235085 [0,2,0,0,0,0|1,0,0]=3 6157 B14R1.3236 CC=Cc1cc(c(c(c1)OC)O)CO 271570a_100016259895_100000185604 [0,2,0,0,0,0|0,0,0]=2 6158 B14R1.3236 CC=Cc1cc(c(c(c1)OC)O)OC 271570a_100016259895_100000691893 [0,2,0,0,0,0|0,0,0]=2 6159 B14R1.3236 CCSc1cc(c(c(c1)OC)O)C=O 62a_100000210202_100000047136 [0,2,0,0,0,0|1,0,1]=4 6160 B14R1.3236 CCSc1cc(c(c(c1)OC)O)CO 62a_100000210202_100000185604 [0,2,0,0,0,0|1,0,1]=4 6161 B12R1.450 COc1cc(c(cc1C)OC)O 271570a_203496583355_100000039368 [0,0,1,1,0,0|1,0,1]=4 6162 B12R1.450 COc1cc(c(cc1O)C=O)F 271570a_203496583355_100010244998 [0,0,1,1,0,0|2,0,0]=4 6163 B12R1.450 COc1cc(c(cc1O)C=O)O 271570a_203496583355_100000183646 [0,0,1,1,0,0|2,0,0]=4 6164 B12R1.450 COc1cc(c(cc1O)C=O)O 271570a_203496583355_100009998278 [0,0,1,1,0,0|2,0,0]=4 6165 B12R1.450 COc1cc(c(cc1O)OC)Br 271570a_203496583355_100013799044 [0,0,1,1,0,0|2,0,0]=4 6166 B12R1.450 COc1cc(c(cc1O)OC)Cl 271570a_203496583355_100000023288 [0,0,1,1,0,0|2,0,0]=4 6167 B12R1.450 COc1cc(c(cc1O)OC)O 271570a_203496583355_100009816818 [0,0,1,1,0,0|2,0,0]=4 6168 B12R1.116 CC=Cc1ccc(cc1)/C=C/C 271570a_100016259895_100016259036 [0,0,1,1,0,0|2,0,0]=4 6169 B12R1.116 CC=Cc1ccc(cc1)COC 271570a_100016259895_100011493685 [0,0,1,1,0,0|1,0,1]=4 6170 B12R1.741 COc1c(ccc(c1C=O)F)O 271570a_203496583355_100010204292 [0,0,1,1,0,0|2,0,0]=4 6171 B12R1.653 COc1ccc(c(c1O)F)OC 271570a_203496583355_200016180952 [0,0,1,1,0,0|2,0,0]=4 6172 B12R1.169 CC=Cc1ccccc1COC 271570a_100016259895_100011493684 [0,0,1,1,0,0|1,0,1]=4 6173 B12R2.43 COc1cccc(c1)C2CC2 271570a_100011220607_100000170001 [1,0,0,1,0,0|0,0,2]=4 6174 B12R2.43 COc1cccc(c1)C2CC2 34a_100011787725_200000210301 [1,0,0,1,0,0|0,0,2]=4 6175 B12R2.43 COc1cccc(c1)C2CC2 7a_100011787725_200000210301 [1,0,0,1,0,0|0,0,2]=4 6176 B12R2.43 [13CH3]Oc1cccc(c1)C2CC2 34a_100011787725_200025704644 [1,0,0,1,0,0|0,0,2]=4 6177 B12R2.43 [13CH3]Oc1cccc(c1)C2CC2 7a_100011787725_200025704644 [1,0,0,1,0,0|0,0,2]=4 6178 B12R2.44 C=Cc1ccc2c(c1)C=CC2 271570a_100011290941_100009814306 [1,0,0,1,0,0|1,0,1]=4 6179 B12R2.44 CNc1ccc2occc2c1 34a_106430523501_200000210301 [1,0,0,1,0,0|2,0,0]=4 6180 B12R2.44 CNc1ccc2sccc2c1 34a_100000681076_200000210301 [1,0,0,1,0,0|2,0,0]=4 6181 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [1,0,0,1,0,0|1,0,0]=3 6182 B12R2.44 COc1ccc2c(c1)CCC2 34a_100000209987_200000210301 [1,0,0,1,0,0|0,0,2]=4 6183 B12R2.44 COc1ccc2c(c1)CCC2 7a_100000209987_200000210301 [1,0,0,1,0,0|0,0,2]=4 6184 B12R2.44 COc1ccc2c(c1)CNC2 34a_100015195982_200000210301 [1,0,0,1,0,0|1,0,1]=4 6185 B12R2.44 COc1ccc2c(c1)NCC2 34a_100020636427_200000210301 [1,0,0,1,0,0|1,0,1]=4 6186 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [1,0,0,1,0,0|1,0,1]=4 6187 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [1,0,0,1,0,0|1,0,1]=4 6188 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [1,0,0,1,0,0|1,0,1]=4 6189 B12R2.44 COc1ccc2ncsc2c1 34a_100011995850_200000210301 [1,0,0,1,0,0|2,0,0]=4 6190 B12R2.44 COc1ccc2ncsc2c1 7a_100011995850_200000210301 [1,0,0,1,0,0|2,0,0]=4 6191 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [1,0,0,1,0,0|1,0,0]=3 6192 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [1,0,0,1,0,0|1,0,0]=3 6193 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [1,0,0,1,0,0|1,0,0]=3 6194 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [1,0,0,1,0,0|1,0,0]=3 6195 B12R2.44 COc1ccc2scnc2c1 34a_200009850626_200000210301 [1,0,0,1,0,0|2,0,0]=4 6196 B12R2.44 COc1ccc2scnc2c1 7a_200009850626_200000210301 [1,0,0,1,0,0|2,0,0]=4 6197 B12R2.44 COc1cnc2[nH]ccc2c1 34a_100000087691_200000210301 [1,0,0,1,0,0|2,0,0]=4 6198 B12R2.44 CSc1ccc2[nH]ccc2c1 62a_200000210301_100000035808 [1,0,0,1,0,0|1,1,0]=4 6199 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_100009814306_200000210301 [1,0,0,1,0,0|0,1,0]=3 6200 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_200000210301_100009814306 [1,0,0,1,0,0|0,1,0]=3 6201 B12R2.44 CSc1ccc2occc2c1 62a_200000210301_100000691453 [1,0,0,1,0,0|1,1,0]=4 6202 B12R2.44 CSc1ccc2sccc2c1 62a_200000210301_100009814439 [1,0,0,1,0,0|1,1,0]=4 6203 B12R2.44 [13CH3]Nc1ccc2occc2c1 34a_106430523501_200025704644 [1,0,0,1,0,0|2,0,0]=4 6204 B12R2.44 [13CH3]Nc1ccc2sccc2c1 34a_100000681076_200025704644 [1,0,0,1,0,0|2,0,0]=4 6205 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [1,0,0,1,0,0|1,0,0]=3 6206 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 34a_100000209987_200025704644 [1,0,0,1,0,0|0,0,2]=4 6207 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 7a_100000209987_200025704644 [1,0,0,1,0,0|0,0,2]=4 6208 B12R2.44 [13CH3]Oc1ccc2c(c1)CNC2 34a_100015195982_200025704644 [1,0,0,1,0,0|1,0,1]=4 6209 B12R2.44 [13CH3]Oc1ccc2c(c1)NCC2 34a_100020636427_200025704644 [1,0,0,1,0,0|1,0,1]=4 6210 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [1,0,0,1,0,0|1,0,1]=4 6211 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [1,0,0,1,0,0|1,0,1]=4 6212 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [1,0,0,1,0,0|1,0,1]=4 6213 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 34a_100011995850_200025704644 [1,0,0,1,0,0|2,0,0]=4 6214 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 7a_100011995850_200025704644 [1,0,0,1,0,0|2,0,0]=4 6215 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [1,0,0,1,0,0|1,0,0]=3 6216 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [1,0,0,1,0,0|1,0,0]=3 6217 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [1,0,0,1,0,0|1,0,0]=3 6218 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [1,0,0,1,0,0|1,0,0]=3 6219 B12R2.44 [13CH3]Oc1ccc2scnc2c1 34a_200009850626_200025704644 [1,0,0,1,0,0|2,0,0]=4 6220 B12R2.44 [13CH3]Oc1ccc2scnc2c1 7a_200009850626_200025704644 [1,0,0,1,0,0|2,0,0]=4 6221 B12R2.44 [13CH3]Oc1cnc2[nH]ccc2c1 34a_100000087691_200025704644 [1,0,0,1,0,0|2,0,0]=4 6222 B12R2.44 [13CH3]Sc1ccc2[nH]ccc2c1 62a_200025704644_100000035808 [1,0,0,1,0,0|1,1,0]=4 6223 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_100009814306_200025704644 [1,0,0,1,0,0|0,1,0]=3 6224 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_200025704644_100009814306 [1,0,0,1,0,0|0,1,0]=3 6225 B12R2.44 [13CH3]Sc1ccc2occc2c1 62a_200025704644_100000691453 [1,0,0,1,0,0|1,1,0]=4 6226 B12R2.44 [13CH3]Sc1ccc2sccc2c1 62a_200025704644_100009814439 [1,0,0,1,0,0|1,1,0]=4 6227 B12R2.143 CC=Cc1ccc2c(c1)CC2 271570a_100016259895_100009818592 [1,0,0,1,0,0|1,0,0]=3 6228 B12R2.315 C=Cc1cccc2c1CC=C2 271570a_100011290941_100009844718 [1,0,0,1,0,0|1,0,1]=4 6229 B12R2.315 COc1cccc2c1CCC2 34a_100000074356_200000210301 [1,0,0,1,0,0|0,0,2]=4 6230 B12R2.315 COc1cccc2c1CCC2 7a_100000074356_200000210301 [1,0,0,1,0,0|0,0,2]=4 6231 B12R2.315 COc1cccc2c1CCN2 34a_100000703684_200000210301 [1,0,0,1,0,0|1,0,1]=4 6232 B12R2.315 COc1cccc2c1CCO2 34a_100000090053_200000210301 [1,0,0,1,0,0|1,0,1]=4 6233 B12R2.315 COc1cccc2c1CCO2 7a_100000090053_200000210301 [1,0,0,1,0,0|1,0,1]=4 6234 B12R2.315 COc1cccc2c1CNC2 34a_100015191671_200000210301 [1,0,0,1,0,0|1,0,1]=4 6235 B12R2.315 COc1cccc2c1cc[nH]2 34a_100000763377_200000210301 [1,0,0,1,0,0|1,0,1]=4 6236 B12R2.315 COc1cccc2c1ccs2 34a_100000077759_200000210301 [1,0,0,1,0,0|1,0,1]=4 6237 B12R2.315 COc1cccc2c1ccs2 7a_100000077759_200000210301 [1,0,0,1,0,0|1,0,1]=4 6238 B12R2.315 COc1cccc2c1ncs2 34a_100000101385_200000210301 [1,0,0,1,0,0|2,0,0]=4 6239 B12R2.315 COc1cccc2c1ncs2 7a_100000101385_200000210301 [1,0,0,1,0,0|2,0,0]=4 6240 B12R2.315 COc1cccn2c1ncc2 34a_100000068405_200000210301 [1,0,0,1,0,0|2,0,0]=4 6241 B12R2.315 COc1cccn2c1ncc2 7a_100000068405_200000210301 [1,0,0,1,0,0|2,0,0]=4 6242 B12R2.315 COc1ccnc2c1scc2 34a_100000759877_200000210301 [1,0,0,1,0,0|2,0,0]=4 6243 B12R2.315 CSc1cccc2c1CC=C2 62a_100009844718_200000210301 [1,0,0,1,0,0|0,1,0]=3 6244 B12R2.315 CSc1cccc2c1CC=C2 62a_200000210301_100009844718 [1,0,0,1,0,0|0,1,0]=3 6245 B12R2.315 CSc1cccc2c1[nH]cc2 62a_200000210301_100009813418 [1,0,0,1,0,0|1,1,0]=4 6246 B12R2.315 CSc1cccc2c1occ2 62a_200000210301_100011935138 [1,0,0,1,0,0|1,1,0]=4 6247 B12R2.315 CSc1cccc2c1scc2 62a_200000210301_100000766737 [1,0,0,1,0,0|1,1,0]=4 6248 B12R2.315 [13CH3]Oc1cccc2c1CCC2 34a_100000074356_200025704644 [1,0,0,1,0,0|0,0,2]=4 6249 B12R2.315 [13CH3]Oc1cccc2c1CCC2 7a_100000074356_200025704644 [1,0,0,1,0,0|0,0,2]=4 6250 B12R2.315 [13CH3]Oc1cccc2c1CCN2 34a_100000703684_200025704644 [1,0,0,1,0,0|1,0,1]=4 6251 B12R2.315 [13CH3]Oc1cccc2c1CCO2 34a_100000090053_200025704644 [1,0,0,1,0,0|1,0,1]=4 6252 B12R2.315 [13CH3]Oc1cccc2c1CCO2 7a_100000090053_200025704644 [1,0,0,1,0,0|1,0,1]=4 6253 B12R2.315 [13CH3]Oc1cccc2c1CNC2 34a_100015191671_200025704644 [1,0,0,1,0,0|1,0,1]=4 6254 B12R2.315 [13CH3]Oc1cccc2c1cc[nH]2 34a_100000763377_200025704644 [1,0,0,1,0,0|1,0,1]=4 6255 B12R2.315 [13CH3]Oc1cccc2c1ccs2 34a_100000077759_200025704644 [1,0,0,1,0,0|1,0,1]=4 6256 B12R2.315 [13CH3]Oc1cccc2c1ccs2 7a_100000077759_200025704644 [1,0,0,1,0,0|1,0,1]=4 6257 B12R2.315 [13CH3]Oc1cccc2c1ncs2 34a_100000101385_200025704644 [1,0,0,1,0,0|2,0,0]=4 6258 B12R2.315 [13CH3]Oc1cccc2c1ncs2 7a_100000101385_200025704644 [1,0,0,1,0,0|2,0,0]=4 6259 B12R2.315 [13CH3]Oc1cccn2c1ncc2 34a_100000068405_200025704644 [1,0,0,1,0,0|2,0,0]=4 6260 B12R2.315 [13CH3]Oc1cccn2c1ncc2 7a_100000068405_200025704644 [1,0,0,1,0,0|2,0,0]=4 6261 B12R2.315 [13CH3]Oc1ccnc2c1scc2 34a_100000759877_200025704644 [1,0,0,1,0,0|2,0,0]=4 6262 B12R2.315 [13CH3]Sc1cccc2c1CC=C2 62a_100009844718_200025704644 [1,0,0,1,0,0|0,1,0]=3 6263 B12R2.315 [13CH3]Sc1cccc2c1CC=C2 62a_200025704644_100009844718 [1,0,0,1,0,0|0,1,0]=3 6264 B12R2.315 [13CH3]Sc1cccc2c1[nH]cc2 62a_200025704644_100009813418 [1,0,0,1,0,0|1,1,0]=4 6265 B12R2.315 [13CH3]Sc1cccc2c1occ2 62a_200025704644_100011935138 [1,0,0,1,0,0|1,1,0]=4 6266 B12R2.315 [13CH3]Sc1cccc2c1scc2 62a_200025704644_100000766737 [1,0,0,1,0,0|1,1,0]=4 6267 B12R2.82 Cc1c(ccc2c1[nH]cc2)O 271570a_203496583355_100009816929 [1,0,0,1,0,0|1,0,0]=3 6268 B12R2.82 Cc1c(ccc2c1cc[nH]2)O 271570a_203496583355_100010731972 [1,0,0,1,0,0|1,0,1]=4 6269 B12R2.82 Cc1c(ccc2c1nc[nH]2)O 271570a_203496583355_100010009745 [1,0,0,1,0,0|2,0,0]=4 6270 B12R2.82 Cc1c(ccc2n1ncc2)O 271570a_203496583355_100010767214 [1,0,0,1,0,0|2,0,0]=4 6271 B12R2.82 Cc1c(ncc2c1[nH]cc2)O 271570a_203496583355_100010244392 [1,0,0,1,0,0|2,0,0]=4 6272 B12R2.82 Cc1ccc2cc[nH]c2c1O 271570a_203496583355_100010717004 [1,0,0,1,0,0|2,0,0]=4 6273 B12R2.82 Oc1ccc2c(c1O)CCC2 271570a_203496583355_100010662108 [1,0,0,1,0,0|0,0,2]=4 6274 B12R2.100 Cc1cc2[nH]ccc2cc1O 271570a_203496583355_100010199648 [1,0,0,1,0,0|1,0,1]=4 6275 B12R2.100 Cc1cc2cc[nH]c2cc1O 271570a_203496583355_100010199660 [1,0,0,1,0,0|1,0,0]=3 6276 B12R2.100 Cc1cc2ccsc2cc1O 271570a_203496583355_100010762285 [1,0,0,1,0,0|1,0,0]=3 6277 B12R2.100 Cc1cc2cn[nH]c2cc1O 271570a_203496583355_100009816928 [1,0,0,1,0,0|2,0,0]=4 6278 B12R2.100 Cc1cc2nc[nH]c2cc1O 271570a_203496583355_200010107306 [1,0,0,1,0,0|2,0,0]=4 6279 B12R2.100 Nc1cc2[nH]ccc2cc1O 271570a_203496583355_100010212544 [1,0,0,1,0,0|2,0,0]=4 6280 B12R2.100 Oc1cc2[nH]ccc2cc1Br 271570a_203496583355_100000703010 [1,0,0,1,0,0|2,0,0]=4 6281 B12R2.100 Oc1cc2[nH]ccc2cc1F 271570a_203496583355_100009817181 [1,0,0,1,0,0|2,0,0]=4 6282 B12R2.100 Oc1cc2c(cc1O)CCC2 271570a_203496583355_200010659162 [1,0,0,1,0,0|0,0,2]=4 6283 B12R2.100 Oc1cc2cc[nH]c2cc1F 271570a_203496583355_100000731065 [1,0,0,1,0,0|2,0,0]=4 6284 B12R2.100 Oc1cc2cn[nH]c2cc1O 271570a_203496583355_100010079831 [1,0,0,1,0,0|2,0,0]=4 6285 B12R2.100 Oc1cc2cn[nH]c2cc1O 271570a_203496583355_100010080172 [1,0,0,1,0,0|2,0,0]=4 6286 B12R2.291 Cc1cc(ccc1O)C2CC2 271570a_100011220607_100000186361 [1,0,0,1,0,0|0,0,2]=4 6287 B12R2.291 Oc1ccc(cc1O)C2CC2 271570a_100011220607_100009813601 [1,0,0,1,0,0|0,0,2]=4 6288 B12R2.291 Oc1ccc(cc1O)C2CC2 271570a_203496583355_100135415898 [1,0,0,1,0,0|0,0,2]=4 6289 B14R2.966 CC(O[13CH3])c1ccc2c(c1)OCO2 34a_100000741967_200025704644 [0,1,0,1,0,0|1,0,1]=4 6290 B14R2.966 CC(O[13CH3])c1ccc2c(c1)OCO2 7a_100000741967_200025704644 [0,1,0,1,0,0|1,0,1]=4 6291 B14R2.966 CCC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_100000210202 [0,1,0,1,0,0|1,0,1]=4 6292 B14R2.966 CCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000210202 [0,1,0,1,0,0|0,0,1]=3 6293 B14R2.966 CCN(C)c1ccc2c(c1)OCO2 2230a_200000219546_200000210301 [0,1,0,1,0,0|1,0,1]=4 6294 B14R2.966 CCN(C)c1ccc2c(c1)OCO2 269982a_200000219546_200000210301 [0,1,0,1,0,0|1,0,1]=4 6295 B14R2.966 CCN(C)c1ccc2c(c1)OCO2 34a_200000219546_200000210301 [0,1,0,1,0,0|1,0,1]=4 6296 B14R2.966 CCN([13CH3])c1ccc2c(c1)OCO2 2230a_200000219546_200025704644 [0,1,0,1,0,0|1,0,1]=4 6297 B14R2.966 CCN([13CH3])c1ccc2c(c1)OCO2 269982a_200000219546_200025704644 [0,1,0,1,0,0|1,0,1]=4 6298 B14R2.966 CCN([13CH3])c1ccc2c(c1)OCO2 34a_200000219546_200025704644 [0,1,0,1,0,0|1,0,1]=4 6299 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 11a_106832991635_100011207309 [0,1,0,1,0,0|2,0,0]=4 6300 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 1626a_100102657272_100011207309 [0,1,0,1,0,0|2,0,0]=4 6301 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 240690a_100102657272_100011207309 [0,1,0,1,0,0|2,0,0]=4 6302 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 527a_100102657272_100011207309 [0,1,0,1,0,0|2,0,0]=4 6303 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 11a_106832991635_100000210863 [0,1,0,1,0,0|1,0,0]=3 6304 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 1626a_100102657272_100000210863 [0,1,0,1,0,0|1,0,0]=3 6305 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 240690a_100102657272_100000210863 [0,1,0,1,0,0|1,0,0]=3 6306 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 527a_100102657272_100000210863 [0,1,0,1,0,0|1,0,0]=3 6307 B14R2.966 CNC(C)c1ccc2c(c1)OCO2 269862a_106832991636_100000211065 [0,1,0,1,0,0|1,0,1]=4 6308 B14R2.966 CN[C@H](C)c1ccc2c(c1)OCO2 2230a_100000744171_200000210301 [0,1,0,1,0,0|1,0,1]=4 6309 B14R2.966 COC(C)c1ccc2c(c1)OCO2 34a_100000741967_200000210301 [0,1,0,1,0,0|1,0,1]=4 6310 B14R2.966 COC(C)c1ccc2c(c1)OCO2 7a_100000741967_200000210301 [0,1,0,1,0,0|1,0,1]=4 6311 B14R2.966 C[C@@H](N[13CH3])c1ccc2c(c1)OCO2 2230a_100000744171_200025704644 [0,1,0,1,0,0|1,0,1]=4 6312 B14R2.966 O=C(CF)c1ccc2c(c1)OCO2 1458a_100000210863_100015361967 [0,1,0,1,0,0|1,0,1]=4 6313 B14R2.2167 COc1cc2c(cc1C)COC2=O 7a_200010662192_200000210301 [0,1,0,1,0,0|2,0,0]=4 6314 B14R2.2167 COc1cc2c(cc1F)CCC2=O 34a_100000092147_200000210301 [0,1,0,1,0,0|1,0,1]=4 6315 B14R2.2167 COc1cc2c(cc1F)CCC2=O 7a_100000092147_200000210301 [0,1,0,1,0,0|1,0,1]=4 6316 B14R2.2167 COc1cc2c(cc1O)CCC2=O 271570a_203496583355_100010233615 [0,1,0,1,0,0|0,0,1]=3 6317 B14R2.2167 Cc1cc2c(cc1O[13CH3])C(=O)OC2 7a_200010662192_200025704644 [0,1,0,1,0,0|2,0,0]=4 6318 B14R2.2167 [13CH3]Oc1cc2c(cc1F)CCC2=O 34a_100000092147_200025704644 [0,1,0,1,0,0|1,0,1]=4 6319 B14R2.2167 [13CH3]Oc1cc2c(cc1F)CCC2=O 7a_100000092147_200025704644 [0,1,0,1,0,0|1,0,1]=4 6320 B14R2.3818 COc1c(ccc2c1CCC2=O)C 34a_100009867297_200000210301 [0,1,0,1,0,0|1,0,1]=4 6321 B14R2.3818 COc1c(ccc2c1CCC2=O)C 7a_100009867297_200000210301 [0,1,0,1,0,0|1,0,1]=4 6322 B14R2.3818 Cc1ccc2c(c1O[13CH3])CCC2=O 34a_100009867297_200025704644 [0,1,0,1,0,0|1,0,1]=4 6323 B14R2.3818 Cc1ccc2c(c1O[13CH3])CCC2=O 7a_100009867297_200025704644 [0,1,0,1,0,0|1,0,1]=4 6324 B14R2.1008 CC(=Cc1cc2c(cn1)OCC2)C 271570a_100102525489_102495363667 [0,1,0,1,0,0|2,0,0]=4 6325 B14R2.1008 CC(=Cc1ccc2c(c1)CCC2)C 271570a_100102525489_100000745594 [0,1,0,1,0,0|2,0,0]=4 6326 B14R2.1008 CC(=Cc1ccc2c(c1)CCN2)C 271570a_100102525489_100000026929 [0,1,0,1,0,0|2,0,0]=4 6327 B14R2.1008 CC(=Cc1ccc2c(c1)CCO2)C 271570a_100102525489_100000729065 [0,1,0,1,0,0|1,0,0]=3 6328 B14R2.1008 CC(=Cc1ccc2c(c1)NCC2)C 271570a_100102525489_100000754641 [0,1,0,1,0,0|2,0,0]=4 6329 B14R2.1008 CC(=Cc1ccc2c(c1)OCC2)C 271570a_100102525489_100009818566 [0,1,0,1,0,0|1,0,0]=3 6330 B14R2.1008 CC(=Cc1ccc2c(c1)OCO2)C 271570a_100102525489_100000688060 [0,1,0,1,0,0|0,0,0]=2 6331 B14R2.1008 CC(=Cc1ccc2ccoc2c1)C 271570a_100102525489_100000759542 [0,1,0,1,0,0|1,0,1]=4 6332 B14R2.1008 CC(=Cc1ccc2cnoc2c1)C 271570a_100102525489_100009817722 [0,1,0,1,0,0|2,0,0]=4 6333 B14R2.1008 CC(=Cc1ccc2ncoc2c1)C 271570a_100102525489_100009817590 [0,1,0,1,0,0|1,0,1]=4 6334 B14R2.1008 CC(=Cc1ccc2occc2c1)C 271570a_100102525489_100012343831 [0,1,0,1,0,0|1,0,1]=4 6335 B14R2.1008 CC(=Cc1ccc2ocnc2c1)C 271570a_100102525489_100009816175 [0,1,0,1,0,0|1,0,1]=4 6336 B14R2.1008 CC(=Cc1ccc2oncc2c1)C 271570a_100102525489_100009817723 [0,1,0,1,0,0|2,0,0]=4 6337 B14R2.1008 CC(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_200000210301 [0,1,0,1,0,0|1,0,1]=4 6338 B14R2.1008 CC(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200000210301 [0,1,0,1,0,0|0,0,1]=3 6339 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 11a_100000736984_100015343762 [0,1,0,1,0,0|2,0,0]=4 6340 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 1626a_100000736984_100015343762 [0,1,0,1,0,0|2,0,0]=4 6341 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 22a_100000736984_100000070787 [0,1,0,1,0,0|2,0,0]=4 6342 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 527a_100000736984_100103153847 [0,1,0,1,0,0|2,0,0]=4 6343 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 11a_100000209953_100015343762 [0,1,0,1,0,0|1,0,0]=3 6344 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100015343762 [0,1,0,1,0,0|1,0,0]=3 6345 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000070787 [0,1,0,1,0,0|1,0,0]=3 6346 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 527a_100000209953_100103153847 [0,1,0,1,0,0|1,0,0]=3 6347 B14R2.1008 CC(C)Nc1ccc2c(c1)OCO2 2230a_100000209953_100000210206 [0,1,0,1,0,0|1,0,1]=4 6348 B14R2.1008 CC(C)Nc1ccc2c(c1)OCO2 34a_100000209953_100000210206 [0,1,0,1,0,0|1,0,1]=4 6349 B14R2.1008 CC(C)Oc1ccc2c(c1)OCO2 34a_100000210298_100000210206 [0,1,0,1,0,0|1,0,1]=4 6350 B14R2.1008 CN(C)Cc1ccc2c(c1)OCO2 2230a_100000186720_200000210301 [0,1,0,1,0,0|1,0,1]=4 6351 B14R2.1008 CN(C)Cc1ccc2c(c1)OCO2 269982a_100000186720_200000210301 [0,1,0,1,0,0|1,0,1]=4 6352 B14R2.1008 CN(C)Cc1ccc2c(c1)OCO2 269982a_100102631434_100000189651 [0,1,0,1,0,0|1,0,1]=4 6353 B14R2.1008 CN([13CH3])Cc1ccc2c(c1)OCO2 2230a_100000186720_200025704644 [0,1,0,1,0,0|1,0,1]=4 6354 B14R2.1008 CN([13CH3])Cc1ccc2c(c1)OCO2 269982a_100000186720_200025704644 [0,1,0,1,0,0|1,0,1]=4 6355 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_200025704644 [0,1,0,1,0,0|1,0,1]=4 6356 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200025704644 [0,1,0,1,0,0|0,0,1]=3 6357 B14R2.1197 COc1cc2cn(nc2cc1Br)C 34a_100010742938_200000210301 [0,1,0,1,0,0|2,0,0]=4 6358 B14R2.1197 COc1cc2cn(nc2cc1Br)C 7a_100010742938_200000210301 [0,1,0,1,0,0|2,0,0]=4 6359 B14R2.1197 CSc1cc2cc([nH]c2cc1F)C 62a_200000210301_200010763346 [0,1,0,1,0,0|1,1,0]=4 6360 B14R2.1197 Cc1cc2cc(c(cc2[nH]1)F)S[13CH3] 62a_200025704644_200010763346 [0,1,0,1,0,0|1,1,0]=4 6361 B14R2.1197 Cn1cc2cc(c(cc2n1)Br)O[13CH3] 34a_100010742938_200025704644 [0,1,0,1,0,0|2,0,0]=4 6362 B14R2.1197 Cn1cc2cc(c(cc2n1)Br)O[13CH3] 7a_100010742938_200025704644 [0,1,0,1,0,0|2,0,0]=4 6363 B14R2.3168 COc1cc(ccc1O)NC2CC2 34a_100000726020_100000211595 [0,1,0,1,0,0|0,0,2]=4 6364 B14R2.112 C=C=Cc1ccc2c(c1)OCCO2 271570a_100015277604_100000184379 [0,1,0,1,0,0|0,0,2]=4 6365 B14R2.112 CC=Cc1ccc2c(c1)CCCC2 271570a_100016259895_100011221367 [0,1,0,1,0,0|2,0,0]=4 6366 B14R2.112 CC=Cc1ccc2c(c1)CCCN2 271570a_100016259895_100016994925 [0,1,0,1,0,0|2,0,0]=4 6367 B14R2.112 CC=Cc1ccc2c(c1)CCCO2 271570a_100016259895_100011393166 [0,1,0,1,0,0|1,0,0]=3 6368 B14R2.112 CC=Cc1ccc2c(c1)CCNC2 271570a_100016259895_100000686056 [0,1,0,1,0,0|2,0,0]=4 6369 B14R2.112 CC=Cc1ccc2c(c1)CNCC2 271570a_100016259895_100015189961 [0,1,0,1,0,0|2,0,0]=4 6370 B14R2.112 CC=Cc1ccc2c(c1)COCC2 271570a_100016259895_100010128096 [0,1,0,1,0,0|1,0,0]=3 6371 B14R2.112 CC=Cc1ccc2c(c1)NCCC2 271570a_100016259895_100010196366 [0,1,0,1,0,0|2,0,0]=4 6372 B14R2.112 CC=Cc1ccc2c(c1)NCCO2 271570a_100016259895_100000708519 [0,1,0,1,0,0|1,0,0]=3 6373 B14R2.112 CC=Cc1ccc2c(c1)NCCS2 271570a_100016259895_100013243616 [0,1,0,1,0,0|1,1,0]=4 6374 B14R2.112 CC=Cc1ccc2c(c1)OCCC2 271570a_100016259895_100010700467 [0,1,0,1,0,0|1,0,0]=3 6375 B14R2.112 CC=Cc1ccc2c(c1)OCCN2 271570a_100016259895_100012355470 [0,1,0,1,0,0|1,0,0]=3 6376 B14R2.112 CC=Cc1ccc2c(c1)OCCO2 271570a_100016259895_100000184379 [0,1,0,1,0,0|0,0,0]=2 6377 B14R2.112 CC=Cc1ccc2c(n1)NCCO2 271570a_100016259895_100010209492 [0,1,0,1,0,0|2,0,0]=4 6378 B14R2.112 CC=Cc1cnc2c(c1)CCCO2 271570a_100016259895_100010109689 [0,1,0,1,0,0|2,0,0]=4 6379 B14R2.112 CC=Cc1cnc2c(c1)NCCO2 271570a_100016259895_100000700286 [0,1,0,1,0,0|2,0,0]=4 6380 B14R2.112 CC=Cc1cnc2c(c1)OCCN2 271570a_100016259895_100009816924 [0,1,0,1,0,0|2,0,0]=4 6381 B14R2.112 CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000210202 [0,1,0,1,0,0|1,0,1]=4 6382 B14R2.112 CCNc1ccc2c(c1)OCCO2 34a_100020630400_100000210202 [0,1,0,1,0,0|1,0,1]=4 6383 B14R2.112 CCOc1ccc2c(c1)OCCO2 34a_100000234341_100000210202 [0,1,0,1,0,0|1,0,1]=4 6384 B14R2.112 CCSc1ccc2c(c1)OCCO2 62a_100000210202_100011216881 [0,1,0,1,0,0|1,0,1]=4 6385 B14R2.112 CCSc1ccc2c(c1)OCCO2 62a_100011216881_100000210202 [0,1,0,1,0,0|1,0,1]=4 6386 B14R2.112 CNCc1ccc2c(c1)OCCO2 207a_100102657272_100000184955 [0,1,0,1,0,0|1,0,1]=4 6387 B14R2.112 CNCc1ccc2c(c1)OCCO2 2230a_100000684186_200000210301 [0,1,0,1,0,0|1,0,1]=4 6388 B14R2.112 CNCc1ccc2c(c1)OCCO2 270004a_106832991635_100000184955 [0,1,0,1,0,0|1,0,1]=4 6389 B14R2.112 CNCc1ccc2c(c1)OCCO2 34a_100000684186_200000210301 [0,1,0,1,0,0|1,0,1]=4 6390 B14R2.112 COCc1ccc2c(c1)OCCO2 34a_100000745213_200000210301 [0,1,0,1,0,0|1,0,1]=4 6391 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 2230a_100000684186_200025704644 [0,1,0,1,0,0|1,0,1]=4 6392 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 34a_100000684186_200025704644 [0,1,0,1,0,0|1,0,1]=4 6393 B14R2.112 [13CH3]OCc1ccc2c(c1)OCCO2 34a_100000745213_200025704644 [0,1,0,1,0,0|1,0,1]=4 6394 B14R2.583 C=C=Cc1cc2c(cc1N)OCO2 271570a_100015277604_100012557033 [0,1,0,1,0,0|0,0,2]=4 6395 B14R2.583 C=C=Cc1cc2c(cc1O)OCO2 271570a_100015277604_100010290809 [0,1,0,1,0,0|0,0,2]=4 6396 B14R2.583 CC=Cc1cc2c(cc1F)NCC2 271570a_100016259895_100012771920 [0,1,0,1,0,0|2,0,0]=4 6397 B14R2.583 CC=Cc1cc2c(cc1N)OCO2 271570a_100016259895_100012557033 [0,1,0,1,0,0|0,0,0]=2 6398 B14R2.583 CC=Cc1cc2c(cc1O)CCC2 271570a_100016259895_200010659162 [0,1,0,1,0,0|2,0,0]=4 6399 B14R2.583 CC=Cc1cc2c(cc1O)OCO2 271570a_100016259895_100010290809 [0,1,0,1,0,0|0,0,0]=2 6400 B14R2.583 CCNc1cc2c(cc1C)OCO2 2230a_100000066439_100000210202 [0,1,0,1,0,0|1,0,1]=4 6401 B14R2.583 CCNc1cc2c(cc1C)OCO2 34a_100000066439_100000210202 [0,1,0,1,0,0|1,0,1]=4 6402 B14R2.583 CCNc1cc2c(cc1Cl)OCO2 34a_100000234339_100000210202 [0,1,0,1,0,0|1,0,1]=4 6403 B14R2.583 CCOc1cc2c(cc1Br)OCO2 34a_100010290809_100000210202 [0,1,0,1,0,0|1,0,1]=4 6404 B14R2.583 CCOc1cc2c(cc1Br)OCO2 7a_100010290809_100000210202 [0,1,0,1,0,0|1,0,1]=4 6405 B14R2.583 CCOc1cc2c(cc1C)OCO2 34a_100000145572_100000210202 [0,1,0,1,0,0|1,0,1]=4 6406 B14R2.583 CCOc1cc2c(cc1C)OCO2 7a_100000145572_100000210202 [0,1,0,1,0,0|1,0,1]=4 6407 B14R2.583 CCSc1cc2c(cc1N)OCO2 62a_100012557033_100000210202 [0,1,0,1,0,0|1,0,1]=4 6408 B14R2.583 CNCc1cc2c(cc1Br)OCO2 2230a_106832991635_100009995336 [0,1,0,1,0,0|1,0,1]=4 6409 B14R2.583 CNCc1cc2c(cc1Br)OCO2 2230a_200011199097_200000210301 [0,1,0,1,0,0|1,0,1]=4 6410 B14R2.583 CNCc1cc2c(cc1Br)OCO2 26a_100102657272_100010290809 [0,1,0,1,0,0|1,0,1]=4 6411 B14R2.583 CNCc1cc2c(cc1Br)OCO2 270004a_106832991635_100000186749 [0,1,0,1,0,0|1,0,1]=4 6412 B14R2.583 CNCc1cc2c(cc1Br)OCO2 34a_100102657272_100009995336 [0,1,0,1,0,0|1,0,1]=4 6413 B14R2.583 CNCc1cc2c(cc1Br)OCO2 7a_106832991635_100009995336 [0,1,0,1,0,0|1,0,1]=4 6414 B14R2.583 CNCc1cc2c(cc1C)OCO2 7a_106832991635_200000112958 [0,1,0,1,0,0|1,0,1]=4 6415 B14R2.583 CNCc1cc2c(cc1Cl)OCO2 207a_100102657272_100000015535 [0,1,0,1,0,0|1,0,1]=4 6416 B14R2.583 CNCc1cc2c(cc1Cl)OCO2 270004a_106832991635_100000015535 [0,1,0,1,0,0|1,0,1]=4 6417 B14R2.583 CNCc1cc2c(cc1Cl)OCO2 7a_106832991635_100000043460 [0,1,0,1,0,0|1,0,1]=4 6418 B14R2.583 COCc1cc2c(cc1Br)OCO2 34a_100000187691_200000210301 [0,1,0,1,0,0|1,0,1]=4 6419 B14R2.583 COCc1cc2c(cc1Br)OCO2 34a_100138415774_100009995336 [0,1,0,1,0,0|1,0,1]=4 6420 B14R2.583 COCc1cc2c(cc1Br)OCO2 7a_100000187691_200000210301 [0,1,0,1,0,0|1,0,1]=4 6421 B14R2.583 COCc1cc2c(cc1Cl)OCO2 34a_200000238738_200000210301 [0,1,0,1,0,0|1,0,1]=4 6422 B14R2.583 COCc1cc2c(cc1Cl)OCO2 7a_200000238738_200000210301 [0,1,0,1,0,0|1,0,1]=4 6423 B14R2.583 CSCc1cc2c(cc1Br)OCO2 62a_100009995336_200000210301 [0,1,0,1,0,0|1,0,1]=4 6424 B14R2.583 CSCc1cc2c(cc1Cl)OCO2 62a_100000043460_200000210301 [0,1,0,1,0,0|1,0,1]=4 6425 B14R2.583 [13CH3]NCc1cc2c(cc1Br)OCO2 2230a_200011199097_200025704644 [0,1,0,1,0,0|1,0,1]=4 6426 B14R2.583 [13CH3]OCc1cc2c(cc1Br)OCO2 34a_100000187691_200025704644 [0,1,0,1,0,0|1,0,1]=4 6427 B14R2.583 [13CH3]OCc1cc2c(cc1Br)OCO2 7a_100000187691_200025704644 [0,1,0,1,0,0|1,0,1]=4 6428 B14R2.583 [13CH3]OCc1cc2c(cc1Cl)OCO2 34a_200000238738_200025704644 [0,1,0,1,0,0|1,0,1]=4 6429 B14R2.583 [13CH3]OCc1cc2c(cc1Cl)OCO2 7a_200000238738_200025704644 [0,1,0,1,0,0|1,0,1]=4 6430 B14R2.583 [13CH3]SCc1cc2c(cc1Br)OCO2 62a_100009995336_200025704644 [0,1,0,1,0,0|1,0,1]=4 6431 B14R2.583 [13CH3]SCc1cc2c(cc1Cl)OCO2 62a_100000043460_200025704644 [0,1,0,1,0,0|1,0,1]=4 6432 B14R2.3096 CC=Cc1ccc(c2c1CCC2)N 271570a_100016259895_200010751103 [0,1,0,1,0,0|2,0,0]=4 6433 B14R2.3096 CC=Cc1ccc(c2c1cco2)F 271570a_100016259895_100010248603 [0,1,0,1,0,0|1,0,1]=4 6434 B14R2.3096 CC=Cc1ccc(c2c1cco2)O 271570a_100016259895_200020711608 [0,1,0,1,0,0|0,0,1]=3 6435 B14R2.6400 CC=Cc1ccc2[nH]c(=O)oc2c1 271570a_100016259895_100000697996 [0,1,0,1,0,0|1,0,1]=4 6436 B14R2.6400 CC=Cc1ccc2[nH]c(cc2c1)C 271570a_100016259895_100011214893 [0,1,0,1,0,0|2,0,0]=4 6437 B14R2.6400 CC=Cc1ccc2[nH]c(nc2c1)C 271570a_100016259895_100011264012 [0,1,0,1,0,0|2,0,0]=4 6438 B14R2.6400 CC=Cc1ccc2c(c1)CC(C2)N 271570a_100016259895_100015193702 [0,1,0,1,0,0|2,0,0]=4 6439 B14R2.6400 CC=Cc1ccc2c(c1)CC(C2)O 271570a_100016259895_100010161096 [0,1,0,1,0,0|2,0,0]=4 6440 B14R2.6400 CC=Cc1ccc2cc([nH]c2c1)C 271570a_100016259895_100010196937 [0,1,0,1,0,0|2,0,0]=4 6441 B14R2.6400 CC=Cc1ccc2cn(nc2c1)C 271570a_100016259895_100009817169 [0,1,0,1,0,0|2,0,0]=4 6442 B14R2.6400 CC=Cc1ccc2nc(oc2c1)C 271570a_100016259895_100010171164 [0,1,0,1,0,0|1,0,0]=3 6443 B14R2.6400 CC=Cc1ccc2nc(oc2c1)N 271570a_100016259895_100010000678 [0,1,0,1,0,0|1,0,1]=4 6444 B14R2.6400 CC=Cc1ccc2nc(sc2c1)C 271570a_100016259895_100009813144 [0,1,0,1,0,0|1,1,0]=4 6445 B14R2.6400 CC=Cc1ccc2nn(cc2c1)C 271570a_100016259895_100009817163 [0,1,0,1,0,0|2,0,0]=4 6446 B14R2.6400 CC=Cc1ccc2oc(=O)[nH]c2c1 271570a_100016259895_100000764829 [0,1,0,1,0,0|1,0,1]=4 6447 B14R2.6400 CC=Cc1ccc2oc(nc2c1)C 271570a_100016259895_100009816932 [0,1,0,1,0,0|1,0,0]=3 6448 B14R2.6400 CC=Cc1ccc2oc(nc2c1)N 271570a_100016259895_100000737949 [0,1,0,1,0,0|1,0,1]=4 6449 B14R2.6400 CC=Cc1ccc2sc(cc2c1)C 271570a_100016259895_100000695401 [0,1,0,1,0,0|1,1,0]=4 6450 B14R2.6400 CC=Cc1ccc2sc(nc2c1)C 271570a_100016259895_100009813953 [0,1,0,1,0,0|1,1,0]=4 6451 B14R2.6400 CC=Cc1cnc2nc(oc2c1)C 271570a_100016259895_100010235748 [0,1,0,1,0,0|2,0,0]=4 6452 B14R2.6400 CC=Cc1cnc2oc(nc2c1)C 271570a_100016259895_100010178690 [0,1,0,1,0,0|2,0,0]=4 6453 B14R2.9783 CC=Cc1ccc(c(c1)C2CC2)N 271570a_100016259895_100010997530 [0,1,0,1,0,0|2,0,0]=4 6454 B14R2.82 C=Cc1cc2[nH]ccc2cc1OC 271570a_100011290941_100010245486 [0,1,0,1,0,0|2,0,0]=4 6455 B14R2.82 COc1cc2[nH]ccc2cc1SC 62a_200000210301_100010245498 [0,1,0,1,0,0|1,1,0]=4 6456 B14R2.82 COc1cc2[nH]ccc2cc1S[13CH3] 62a_200025704644_100010245498 [0,1,0,1,0,0|1,1,0]=4 6457 B14R2.82 COc1cc2cc[nH]c2cc1SC 62a_200000210301_100010245486 [0,1,0,1,0,0|1,1,0]=4 6458 B14R2.82 COc1cc2cc[nH]c2cc1S[13CH3] 62a_200025704644_100010245486 [0,1,0,1,0,0|1,1,0]=4 6459 B14R2.475 CC=Cc1ccc2[nH]cc(c2c1)C 271570a_100016259895_100009816687 [0,1,0,1,0,0|2,0,0]=4 6460 B14R2.475 CC=Cc1ccc2[nH]nc(c2c1)C 271570a_100016259895_100102524909 [0,1,0,1,0,0|2,0,0]=4 6461 B14R2.475 CC=Cc1ccc2c(c1)C(=O)CC2 271570a_100016259895_100000759401 [0,1,0,1,0,0|2,0,0]=4 6462 B14R2.475 CC=Cc1ccc2c(c1)C(=O)CO2 271570a_100016259895_100000752586 [0,1,0,1,0,0|1,0,0]=3 6463 B14R2.475 CC=Cc1ccc2c(c1)C(=O)OC2 271570a_100016259895_100000693025 [0,1,0,1,0,0|2,0,0]=4 6464 B14R2.475 CC=Cc1ccc2c(c1)C(CC2)N 271570a_100016259895_100011435097 [0,1,0,1,0,0|2,0,0]=4 6465 B14R2.475 CC=Cc1ccc2c(c1)C(CC2)O 271570a_100016259895_100011836024 [0,1,0,1,0,0|2,0,0]=4 6466 B14R2.475 CC=Cc1ccc2ccn(c2c1)C 271570a_100016259895_100011934912 [0,1,0,1,0,0|2,0,0]=4 6467 B14R2.475 CC=Cc1ccc2cnn(c2c1)C 271570a_100016259895_100009817177 [0,1,0,1,0,0|2,0,0]=4 6468 B14R2.475 CC=Cc1ccc2ncn(c2c1)C 271570a_100016259895_100000702186 [0,1,0,1,0,0|2,0,0]=4 6469 B14R2.475 CC=Cc1ccc2nnn(c2c1)C 271570a_100016259895_100010241234 [0,1,0,1,0,0|2,0,0]=4 6470 B14R2.475 CC=Cc1ccc2o[nH]c(=O)c2c1 271570a_100016259895_100000732257 [0,1,0,1,0,0|2,0,0]=4 6471 B14R2.475 CC=Cc1ccc2occ(c2c1)C 271570a_100016259895_100000728893 [0,1,0,1,0,0|1,0,0]=3 6472 B14R2.475 CC=Cc1ccc2onc(c2c1)C 271570a_100016259895_100010196875 [0,1,0,1,0,0|1,0,0]=3 6473 B14R2.475 CC=Cc1ccc2onc(c2c1)N 271570a_100016259895_100012356444 [0,1,0,1,0,0|2,0,0]=4 6474 B14R2.475 CC=Cc1ccc2scc(c2c1)C 271570a_100016259895_100009814196 [0,1,0,1,0,0|1,1,0]=4 6475 B14R2.3062 COc1cc(ccc1CO)C2CC2 271570a_100011220607_100011277633 [0,1,0,1,0,0|0,0,2]=4 6476 B14R2.3062 COc1ccc(cc1OC)C2CC2 271570a_100011220607_100000187503 [0,1,0,1,0,0|0,0,2]=4 6477 B14R2.6412 CC=Cc1ccc2c(c1)CCC2=O 271570a_100016259895_100000737041 [0,1,0,1,0,0|1,0,1]=4 6478 B14R2.6412 CC=Cc1ccc2c(c1)CCC2N 271570a_100016259895_100000744021 [0,1,0,1,0,0|2,0,0]=4 6479 B14R2.6412 CC=Cc1ccc2c(c1)CCC2O 271570a_100016259895_100000747877 [0,1,0,1,0,0|1,0,0]=3 6480 B14R2.6412 CC=Cc1ccc2c(c1)CCN2C 271570a_100016259895_100009815432 [0,1,0,1,0,0|2,0,0]=4 6481 B14R2.6412 CC=Cc1ccc2c(c1)OCC2=O 271570a_100016259895_100000686717 [0,1,0,1,0,0|0,0,1]=3 6482 B14R2.6412 CC=Cc1ccc2c(c1)OCC2N 271570a_100016259895_100020628175 [0,1,0,1,0,0|1,0,0]=3 6483 B14R2.6412 CC=Cc1ccc2c(coc2c1)C 271570a_100016259895_100010775837 [0,1,0,1,0,0|1,0,1]=4 6484 B14R2.6412 CC=Cc1ccc2c(noc2c1)C 271570a_100016259895_100009815287 [0,1,0,1,0,0|2,0,0]=4 6485 B14R2.6412 CC=Cc1ccc2c(noc2c1)N 271570a_100016259895_100012356334 [0,1,0,1,0,0|2,0,0]=4 6486 B14R2.6412 CC=Cc1ccc2c(noc2c1)O 271570a_100016259895_100000727085 [0,1,0,1,0,0|1,0,0]=3 6487 B14R2.203 CNc1c(ccc2c1cccc2)O 34a_100000007056_200000210301 [0,1,0,1,0,0|1,0,1]=4 6488 B14R2.203 COc1c(ccc2c1cccc2)Br 34a_100009996032_200000210301 [0,1,0,1,0,0|1,0,1]=4 6489 B14R2.203 COc1c(ccc2c1cccc2)Br 7a_100009996032_200000210301 [0,1,0,1,0,0|1,0,1]=4 6490 B14R2.203 COc1c(ccc2c1cccc2)C 34a_100000039261_200000210301 [0,1,0,1,0,0|1,0,1]=4 6491 B14R2.203 COc1c(ccc2c1cccc2)C 7a_100000039261_200000210301 [0,1,0,1,0,0|1,0,1]=4 6492 B14R2.203 COc1c(ccc2c1cccc2)N 34a_100000007060_200000210301 [0,1,0,1,0,0|1,0,1]=4 6493 B14R2.203 COc1c(ccc2c1cccc2)O 271570a_203496583355_100010089960 [0,1,0,1,0,0|0,0,1]=3 6494 B14R2.203 COc1c(ccc2c1nccc2)Br 34a_100009816563_200000210301 [0,1,0,1,0,0|1,0,1]=4 6495 B14R2.203 COc1c(ccc2c1nccc2)Cl 34a_100000700379_200000210301 [0,1,0,1,0,0|1,0,1]=4 6496 B14R2.203 COc1c(ccc2c1nccc2)Cl 7a_100000700379_200000210301 [0,1,0,1,0,0|1,0,1]=4 6497 B14R2.203 COc1c(ccc2c1nccc2)O 271570a_203496583355_100010256708 [0,1,0,1,0,0|0,0,1]=3 6498 B14R2.203 CSc1c(ccc2c1cccc2)O 62a_200000210301_100000183829 [0,1,0,1,0,0|0,1,1]=4 6499 B14R2.203 CSc1c(ccc2c1cncc2)O 62a_200000210301_200010115057 [0,1,0,1,0,0|0,1,1]=4 6500 B14R2.203 CSc1c(ccc2c1nccc2)O 62a_200000210301_100010173343 [0,1,0,1,0,0|0,1,1]=4 6501 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 34a_100000039261_200025704644 [0,1,0,1,0,0|1,0,1]=4 6502 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 7a_100000039261_200025704644 [0,1,0,1,0,0|1,0,1]=4 6503 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)O 34a_100000007056_200025704644 [0,1,0,1,0,0|1,0,1]=4 6504 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 34a_100009996032_200025704644 [0,1,0,1,0,0|1,0,1]=4 6505 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 7a_100009996032_200025704644 [0,1,0,1,0,0|1,0,1]=4 6506 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)N 34a_100000007060_200025704644 [0,1,0,1,0,0|1,0,1]=4 6507 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Br 34a_100009816563_200025704644 [0,1,0,1,0,0|1,0,1]=4 6508 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 34a_100000700379_200025704644 [0,1,0,1,0,0|1,0,1]=4 6509 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 7a_100000700379_200025704644 [0,1,0,1,0,0|1,0,1]=4 6510 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)O 62a_200025704644_100000183829 [0,1,0,1,0,0|0,1,1]=4 6511 B14R2.203 [13CH3]Sc1c(ccc2c1cncc2)O 62a_200025704644_200010115057 [0,1,0,1,0,0|0,1,1]=4 6512 B14R2.203 [13CH3]Sc1c(ccc2c1nccc2)O 62a_200025704644_100010173343 [0,1,0,1,0,0|0,1,1]=4 6513 B14R2.991 C=CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210623 [0,1,0,1,0,0|0,0,2]=4 6514 B14R2.991 C=CCNc1ccc2c(c1)OCO2 34a_100000209953_100015514636 [0,1,0,1,0,0|0,0,2]=4 6515 B14R2.991 C=CCOc1ccc2c(c1)OCO2 34a_100000210298_100015514636 [0,1,0,1,0,0|0,0,2]=4 6516 B14R2.991 CCCCc1ccc2c(c1)OCO2 271570a_100020621405_100000688060 [0,1,0,1,0,0|0,0,2]=4 6517 B14R2.991 CCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210303 [0,1,0,1,0,0|0,0,2]=4 6518 B14R2.991 CCCNc1ccc2c(c1)OCO2 34a_100000209953_100000210303 [0,1,0,1,0,0|0,0,2]=4 6519 B14R2.991 CCCOc1ccc2c(c1)OCO2 34a_100000210298_100000210303 [0,1,0,1,0,0|0,0,2]=4 6520 B14R2.991 CCNCc1ccc2c(c1)OCO2 2230a_100000210006_100000210202 [0,1,0,1,0,0|0,0,2]=4 6521 B14R2.991 CCNCc1ccc2c(c1)OCO2 34a_100000210006_100000210202 [0,1,0,1,0,0|0,0,2]=4 6522 B14R2.991 CCOCc1ccc2c(c1)OCO2 34a_100000210967_100000210202 [0,1,0,1,0,0|0,0,2]=4 6523 B14R2.991 CCOCc1ccc2c(c1)OCO2 34a_100121572206_100000189651 [0,1,0,1,0,0|0,0,2]=4 6524 B14R2.991 CNCCc1ccc2c(c1)OCO2 2230a_100000204656_200000210301 [0,1,0,1,0,0|0,0,2]=4 6525 B14R2.991 CNCCc1ccc2c(c1)OCO2 34a_100000204656_200000210301 [0,1,0,1,0,0|0,0,2]=4 6526 B14R2.991 COCCc1ccc2c(c1)OCO2 34a_100011934097_200000210301 [0,1,0,1,0,0|0,0,2]=4 6527 B14R2.991 COCNc1ccc2c(c1)OCO2 2230a_100000209953_100000766300 [0,1,0,1,0,0|1,0,1]=4 6528 B14R2.991 CSCNc1ccc2c(c1)OCO2 2230a_100000209953_100011218213 [0,1,0,1,0,0|1,0,1]=4 6529 B14R2.991 CSCNc1ccc2c(c1)OCO2 34a_100000209953_100011218213 [0,1,0,1,0,0|1,0,1]=4 6530 B14R2.991 CSCOc1ccc2c(c1)OCO2 34a_100000210298_100011218213 [0,1,0,1,0,0|1,0,1]=4 6531 B14R2.991 FCCNc1ccc2c(c1)OCO2 2230a_100000209953_100011217306 [0,1,0,1,0,0|1,0,1]=4 6532 B14R2.991 FCCNc1ccc2c(c1)OCO2 34a_100000209953_100011217306 [0,1,0,1,0,0|1,0,1]=4 6533 B14R2.991 FCCOc1ccc2c(c1)OCO2 34a_100000210298_100011217306 [0,1,0,1,0,0|1,0,1]=4 6534 B14R2.991 FCNCc1ccc2c(c1)OCO2 34a_100000210006_100015361967 [0,1,0,1,0,0|1,0,1]=4 6535 B14R2.991 FCOCc1ccc2c(c1)OCO2 34a_100000210967_100015361967 [0,1,0,1,0,0|1,0,1]=4 6536 B14R2.991 O=CCNc1ccc2c(c1)OCO2 2230a_100000209953_200015260668 [0,1,0,1,0,0|1,0,1]=4 6537 B14R2.991 O=CCNc1ccc2c(c1)OCO2 34a_100000209953_200009817547 [0,1,0,1,0,0|1,0,1]=4 6538 B14R2.991 O=CCOc1ccc2c(c1)OCO2 34a_100000210298_200009817547 [0,1,0,1,0,0|1,0,1]=4 6539 B14R2.991 OCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000211926 [0,1,0,1,0,0|1,0,1]=4 6540 B14R2.991 OCCNc1ccc2c(c1)OCO2 34a_100000209953_100000211926 [0,1,0,1,0,0|1,0,1]=4 6541 B14R2.991 OCCOc1ccc2c(c1)OCO2 34a_100000210298_100000211926 [0,1,0,1,0,0|1,0,1]=4 6542 B14R2.991 [13CH3]NCCc1ccc2c(c1)OCO2 2230a_100000204656_200025704644 [0,1,0,1,0,0|0,0,2]=4 6543 B14R2.991 [13CH3]NCCc1ccc2c(c1)OCO2 34a_100000204656_200025704644 [0,1,0,1,0,0|0,0,2]=4 6544 B14R2.991 [13CH3]OCCc1ccc2c(c1)OCO2 34a_100011934097_200025704644 [0,1,0,1,0,0|0,0,2]=4 6545 B14R2.1128 COc1cc2ccccc2cc1Br 34a_100009817189_200000210301 [0,1,0,1,0,0|1,0,1]=4 6546 B14R2.1128 COc1cc2ccccc2cc1Br 7a_100009817189_200000210301 [0,1,0,1,0,0|1,0,1]=4 6547 B14R2.1128 COc1cc2ccccc2cc1C 34a_100000091601_200000210301 [0,1,0,1,0,0|1,0,1]=4 6548 B14R2.1128 COc1cc2ccccc2cc1C 7a_100000091601_200000210301 [0,1,0,1,0,0|1,0,1]=4 6549 B14R2.1128 COc1cc2ccccc2cc1N 34a_106744474703_200000210301 [0,1,0,1,0,0|1,0,1]=4 6550 B14R2.1128 COc1cc2ccccc2cc1N 7a_106744474703_200000210301 [0,1,0,1,0,0|1,0,1]=4 6551 B14R2.1128 COc1cc2ccccc2cc1O 271570a_203496583355_100009817100 [0,1,0,1,0,0|0,0,1]=3 6552 B14R2.1128 COc1cc2cccnc2cc1Br 34a_200010153759_200000210301 [0,1,0,1,0,0|1,0,1]=4 6553 B14R2.1128 COc1cc2cccnc2cc1Br 7a_200010153759_200000210301 [0,1,0,1,0,0|1,0,1]=4 6554 B14R2.1128 COc1cc2cccnc2cc1O 271570a_203496583355_100011093944 [0,1,0,1,0,0|0,0,1]=3 6555 B14R2.1128 COc1cc2ccncc2cc1O 271570a_203496583355_100010990640 [0,1,0,1,0,0|0,0,1]=3 6556 B14R2.1128 COc1cc2ncccc2cc1O 271570a_203496583355_100020706834 [0,1,0,1,0,0|0,0,1]=3 6557 B14R2.1128 COc1nc2ccccc2cc1O 271570a_203496583355_100009820890 [0,1,0,1,0,0|1,0,1]=4 6558 B14R2.1128 CSc1cc2ccccc2cc1O 62a_200000210301_100009817189 [0,1,0,1,0,0|0,1,1]=4 6559 B14R2.1128 CSc1cc2ncccc2cc1O 62a_200000210301_200010153759 [0,1,0,1,0,0|0,1,1]=4 6560 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 34a_100000091601_200025704644 [0,1,0,1,0,0|1,0,1]=4 6561 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 7a_100000091601_200025704644 [0,1,0,1,0,0|1,0,1]=4 6562 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 34a_100009817189_200025704644 [0,1,0,1,0,0|1,0,1]=4 6563 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 7a_100009817189_200025704644 [0,1,0,1,0,0|1,0,1]=4 6564 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 34a_106744474703_200025704644 [0,1,0,1,0,0|1,0,1]=4 6565 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 7a_106744474703_200025704644 [0,1,0,1,0,0|1,0,1]=4 6566 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 34a_200010153759_200025704644 [0,1,0,1,0,0|1,0,1]=4 6567 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 7a_200010153759_200025704644 [0,1,0,1,0,0|1,0,1]=4 6568 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1O 62a_200025704644_100009817189 [0,1,0,1,0,0|0,1,1]=4 6569 B14R2.1128 [13CH3]Sc1cc2ncccc2cc1O 62a_200025704644_200010153759 [0,1,0,1,0,0|0,1,1]=4 6570 B14R2.1416 COc1cc2c(cc1O)C(=O)CC2 271570a_203496583355_200010010916 [0,1,0,1,0,0|1,0,1]=4 6571 B14R2.1416 COc1cc2cnn(c2cc1O)C 271570a_203496583355_200021298667 [0,1,0,1,0,0|1,0,0]=3 6572 B14R2.808 C=C=Cc1ccc2c(c1C)OCO2 271570a_100015277604_100010335860 [0,1,0,1,0,0|0,0,2]=4 6573 B14R2.808 C=C=Cc1ccc2c(c1F)OCO2 271570a_100015277604_100010223184 [0,1,0,1,0,0|0,0,2]=4 6574 B14R2.808 CC=Cc1ccc2c(c1C)OCO2 271570a_100016259895_100010335860 [0,1,0,1,0,0|0,0,0]=2 6575 B14R2.808 CC=Cc1ccc2c(c1F)CCN2 271570a_100016259895_100011013764 [0,1,0,1,0,0|2,0,0]=4 6576 B14R2.808 CC=Cc1ccc2c(c1F)OCO2 271570a_100016259895_100010223184 [0,1,0,1,0,0|0,0,0]=2 6577 B14R2.808 CC=Cc1ccc2c(c1N)CCC2 271570a_100016259895_202495424074 [0,1,0,1,0,0|2,0,0]=4 6578 B14R2.808 CC=Cc1ccc2c(c1O)CCC2 271570a_100016259895_100010662108 [0,1,0,1,0,0|2,0,0]=4 6579 B14R2.808 CCSc1ccc2c(c1C)OCO2 62a_100010335860_100000210202 [0,1,0,1,0,0|1,0,1]=4 6580 B14R2.808 CCSc1ccc2c(c1F)OCO2 62a_100010223184_100000210202 [0,1,0,1,0,0|1,0,1]=4 6581 B14R2.2292 COc1cc(c(cc1O)F)C2CC2 271570a_100011220607_100010189133 [0,1,0,1,0,0|0,0,2]=4 6582 B14R2.587 CC=Cc1cc(c2occc2c1)C 271570a_100016259895_100012361858 [0,1,0,1,0,0|1,0,1]=4 6583 B14R2.587 CC=Cc1cc(c2occc2c1)F 271570a_100016259895_100012355474 [0,1,0,1,0,0|1,0,1]=4 6584 B14R2.587 CNCc1cc(c2c(c1)OCO2)Br 207a_100102657272_100000682445 [0,1,0,1,0,0|1,0,1]=4 6585 B14R2.587 CNCc1cc(c2c(c1)OCO2)Br 270004a_106832991635_100000682445 [0,1,0,1,0,0|1,0,1]=4 6586 B14R2.587 CNCc1cc(c2c(c1)OCO2)Cl 207a_100102657272_100000016197 [0,1,0,1,0,0|1,0,1]=4 6587 B14R2.587 CNCc1cc(c2c(c1)OCO2)Cl 270004a_106832991635_100000016197 [0,1,0,1,0,0|1,0,1]=4 6588 B14R2.587 COCc1cc(c2c(c1)OCO2)Cl 34a_100000198975_200000210301 [0,1,0,1,0,0|1,0,1]=4 6589 B14R2.587 COCc1cc(c2c(c1)OCO2)Cl 7a_100000198975_200000210301 [0,1,0,1,0,0|1,0,1]=4 6590 B14R2.587 [13CH3]OCc1cc(c2c(c1)OCO2)Cl 34a_100000198975_200025704644 [0,1,0,1,0,0|1,0,1]=4 6591 B14R2.587 [13CH3]OCc1cc(c2c(c1)OCO2)Cl 7a_100000198975_200025704644 [0,1,0,1,0,0|1,0,1]=4 6592 B14R3.3015 c1cc2c(cc1C3CC3)OCO2 271570a_100011220607_100000688060 [0,0,0,2,0,0|0,0,2]=4 6593 B10R1.5 CC=Cc1c[nH]nc1OC 271570a_100016259895_100010982843 [1,0,0,0,1,0|2,0,0]=4 6594 B10R1.5 CC=Cc1ccsc1SC 271570a_100016259895_200010341309 [1,0,0,0,1,0|1,1,0]=4 6595 B10R1.5 CC=Cc1cscc1CC 271570a_100016259895_100011068457 [1,0,0,0,1,0|2,0,0]=4 6596 B10R1.5 CC=Cc1sccc1CC 271570a_100016259895_200009875468 [1,0,0,0,1,0|2,0,0]=4 6597 B10R1.96 CC=Cc1ccc(s1)CC 271570a_100016259895_100009844052 [1,0,0,0,1,0|2,0,0]=4 6598 B10R1.96 CC=Cc1cnc(s1)OC 271570a_100016259895_100000729428 [1,0,0,0,1,0|2,0,0]=4 6599 B10R1.96 CC=Cc1csc(c1)CC 271570a_100016259895_100009846239 [1,0,0,0,1,0|2,0,0]=4 6600 B10R1.96 CC=Cc1csc(c1)SC 271570a_100016259895_200010256830 [1,0,0,0,1,0|1,1,0]=4 6601 B10R1.96 CC=Cc1csc(n1)OC 271570a_100016259895_100000727839 [1,0,0,0,1,0|2,0,0]=4 6602 B10R1.94 CC=Cc1csc(c1C)C 271570a_100016259895_100009820295 [1,0,0,0,1,0|2,0,0]=4 6603 B10R1.131 CC=Cc1cc(c(s1)C)C 271570a_100016259895_100009850898 [1,0,0,0,1,0|2,0,0]=4 6604 B12R1.112 C=C=Cc1ccc(cc1OC)O 271570a_100015277604_100011827694 [0,0,0,0,1,1|0,0,2]=4 6605 B12R1.112 CC=Cc1ccc(cc1C#N)O 271570a_100016259895_100009818209 [0,0,0,0,1,1|2,0,0]=4 6606 B12R1.112 CC=Cc1ccc(cc1C=O)O 271570a_100016259895_100000690577 [0,0,0,0,1,1|2,0,0]=4 6607 B12R1.112 CC=Cc1ccc(cc1CC)Br 271570a_100016259895_100011216195 [0,0,0,0,1,1|2,0,0]=4 6608 B12R1.112 CC=Cc1ccc(cc1CC)N 271570a_100016259895_100010109747 [0,0,0,0,1,1|2,0,0]=4 6609 B12R1.112 CC=Cc1ccc(cc1CO)O 271570a_100016259895_100012351483 [0,0,0,0,1,1|2,0,0]=4 6610 B12R1.112 CC=Cc1ccc(cc1NC)F 271570a_100016259895_100020633008 [0,0,0,0,1,1|2,0,0]=4 6611 B12R1.112 CC=Cc1ccc(cc1OC)Br 271570a_100016259895_100010245111 [0,0,0,0,1,1|1,0,0]=3 6612 B12R1.112 CC=Cc1ccc(cc1OC)C 271570a_100016259895_100010200004 [0,0,0,0,1,1|1,0,0]=3 6613 B12R1.112 CC=Cc1ccc(cc1OC)Cl 271570a_100016259895_100000050115 [0,0,0,0,1,1|1,0,0]=3 6614 B12R1.112 CC=Cc1ccc(cc1OC)F 271570a_100016259895_100000757151 [0,0,0,0,1,1|1,0,0]=3 6615 B12R1.112 CC=Cc1ccc(cc1OC)N 271570a_100016259895_100000765947 [0,0,0,0,1,1|1,0,0]=3 6616 B12R1.112 CC=Cc1ccc(cc1OC)O 271570a_100016259895_100011827694 [0,0,0,0,1,1|0,0,0]=2 6617 B12R1.112 CC=Cc1ccc(cc1SC)C 271570a_100016259895_200010709736 [0,0,0,0,1,1|1,1,0]=4 6618 B12R1.112 CC=Cc1ccc(nc1OC)C 271570a_100016259895_100010138632 [0,0,0,0,1,1|1,0,0]=3 6619 B12R1.112 CC=Cc1ccc(nc1OC)N 271570a_100016259895_100010187630 [0,0,0,0,1,1|1,0,0]=3 6620 B12R1.112 CC=Cc1cnc(cc1OC)C 271570a_100016259895_100000717771 [0,0,0,0,1,1|2,0,0]=4 6621 B12R1.112 CC=Cc1cnc(cc1OC)Cl 271570a_100016259895_100010154656 [0,0,0,0,1,1|2,0,0]=4 6622 B12R1.112 CC=Cc1cnc(cc1OC)F 271570a_100016259895_100010135560 [0,0,0,0,1,1|2,0,0]=4 6623 B12R1.112 CC=Cc1cnc(cc1OC)N 271570a_100016259895_100015506990 [0,0,0,0,1,1|2,0,0]=4 6624 B12R1.112 CC=Cc1cnc(nc1OC)N 271570a_100016259895_100010240410 [0,0,0,0,1,1|2,0,0]=4 6625 B12R1.112 CC=Cc1ncc(cc1OC)C 271570a_100016259895_200000118316 [0,0,0,0,1,1|2,0,0]=4 6626 B12R1.112 CC=Cc1ncc(cc1OC)F 271570a_100016259895_100009867738 [0,0,0,0,1,1|2,0,0]=4 6627 B12R1.112 CC=Cc1ncc(cc1OC)N 271570a_100016259895_100000097218 [0,0,0,0,1,1|2,0,0]=4 6628 B12R1.112 CC=Cc1ncc(nc1OC)Br 271570a_100016259895_100010214903 [0,0,0,0,1,1|2,0,0]=4 6629 B12R1.112 CC=Cc1ncc(nc1OC)N 271570a_100016259895_100010128448 [0,0,0,0,1,1|2,0,0]=4 6630 B12R1.112 CCNc1ccc(cc1OC)O 34a_100015326901_100000210202 [0,0,0,0,1,1|1,0,1]=4 6631 B12R1.112 CCOc1ccc(cc1OC)O 271570a_203496583355_200012344064 [0,0,0,0,1,1|1,0,1]=4 6632 B12R1.112 CCSc1ccc(cc1OC)O 62a_100000210202_100011827694 [0,0,0,0,1,1|1,0,1]=4 6633 B12R1.542 C=C=Cc1cccc(c1OC)O 271570a_100015277604_100010234590 [0,0,0,0,1,1|0,0,2]=4 6634 B12R1.542 C=C=Cc1nccc(c1OC)O 271570a_100015277604_100000104430 [0,0,0,0,1,1|0,0,2]=4 6635 B12R1.542 CC=Cc1cccc(c1C#N)O 271570a_100016259895_100012180507 [0,0,0,0,1,1|2,0,0]=4 6636 B12R1.542 CC=Cc1cccc(c1C=O)O 271570a_100016259895_100009814793 [0,0,0,0,1,1|2,0,0]=4 6637 B12R1.542 CC=Cc1cccc(c1NC)N 271570a_100016259895_100010510394 [0,0,0,0,1,1|2,0,0]=4 6638 B12R1.542 CC=Cc1cccc(c1OC)Br 271570a_100016259895_100010146560 [0,0,0,0,1,1|1,0,0]=3 6639 B12R1.542 CC=Cc1cccc(c1OC)C 271570a_100016259895_100010141385 [0,0,0,0,1,1|1,0,0]=3 6640 B12R1.542 CC=Cc1cccc(c1OC)Cl 271570a_100016259895_100010147678 [0,0,0,0,1,1|1,0,0]=3 6641 B12R1.542 CC=Cc1cccc(c1OC)F 271570a_100016259895_100009816759 [0,0,0,0,1,1|1,0,0]=3 6642 B12R1.542 CC=Cc1cccc(c1OC)N 271570a_100016259895_100011935253 [0,0,0,0,1,1|1,0,0]=3 6643 B12R1.542 CC=Cc1cccc(c1OC)O 271570a_100016259895_100010234590 [0,0,0,0,1,1|0,0,0]=2 6644 B12R1.542 CC=Cc1cccc(c1SC)F 271570a_100016259895_200010709249 [0,0,0,0,1,1|1,1,0]=4 6645 B12R1.542 CC=Cc1ccnc(c1OC)C 271570a_100016259895_100000685116 [0,0,0,0,1,1|1,0,0]=3 6646 B12R1.542 CC=Cc1ccnc(c1OC)Cl 271570a_100016259895_100010068014 [0,0,0,0,1,1|1,0,0]=3 6647 B12R1.542 CC=Cc1ccnc(c1OC)N 271570a_100016259895_100009880012 [0,0,0,0,1,1|1,0,0]=3 6648 B12R1.542 CC=Cc1cncc(c1OC)N 271570a_100016259895_100012359933 [0,0,0,0,1,1|1,0,0]=3 6649 B12R1.542 CC=Cc1nccc(c1C=O)O 271570a_100016259895_200010729673 [0,0,0,0,1,1|2,0,0]=4 6650 B12R1.542 CC=Cc1nccc(c1OC)N 271570a_100016259895_100000104429 [0,0,0,0,1,1|1,0,0]=3 6651 B12R1.542 CC=Cc1nccc(c1OC)O 271570a_100016259895_100000104430 [0,0,0,0,1,1|0,0,0]=2 6652 B12R1.542 CC=Cc1ncnc(c1OC)N 271570a_100016259895_100011998528 [0,0,0,0,1,1|2,0,0]=4 6653 B12R1.542 CCSc1cccc(c1OC)O 62a_100000210202_100010234590 [0,0,0,0,1,1|1,0,1]=4 6654 B12R1.542 CCSc1nccc(c1OC)O 62a_100000210202_100000104430 [0,0,0,0,1,1|1,0,1]=4