0 B15R1.594 C=C=Cc1ccc(c(c1)OC)NC(=O)C 271570a_100015277604_100009813048 [0,0,0,0,0,0|1,0,2]=3 1 B15R1.594 C=C=Cc1ccc(c(c1)OC)OC(C)C 271570a_100015277604_100012354883 [0,0,0,0,0,0|1,0,3]=4 2 B15R1.594 C=CCc1ccc(c(c1)OC)OC(C)C 34a_100000181329_100000210206 [0,0,0,0,0,0|1,0,1]=2 3 B15R1.594 CC=Cc1ccc(c(c1)OC)NC(=O)C 271570a_100016259895_100009813048 [0,0,0,0,0,0|1,0,2]=3 4 B15R1.594 CC=Cc1ccc(c(c1)OC)OC(C)C 271570a_100016259895_100012354883 [0,0,0,0,0,0|1,0,3]=4 5 B15R1.594 CC=Cc1ccc(c(c1)OC)OC(C)C 34a_100015195088_100000210206 [0,0,0,0,0,0|1,0,3]=4 6 B15R1.594 CCCc1ccc(c(c1)OC)OC(C)C 34a_100000012292_100000210206 [0,0,0,0,0,0|1,0,3]=4 7 B15R1.594 CCCc1ccc(c(c1)OC)OC(C)C 7a_100000012292_100000210206 [0,0,0,0,0,0|1,0,3]=4 8 B15R1.594 CCNc1ccc(c(c1)OC)NC(=O)C 34a_100015186897_100000210202 [0,0,0,0,0,0|2,0,2]=4 9 B15R1.594 CCNc1ccc(c(c1)OC)NC(=O)C 7a_100015186897_100000210202 [0,0,0,0,0,0|2,0,2]=4 10 B15R1.594 CNCc1ccc(c(c1)OC)OC(=O)C 207a_100102657272_100000189339 [0,0,0,0,0,0|1,0,1]=2 11 B15R1.594 CNCc1ccc(c(c1)OC)OC(=O)C 270004a_106832991635_100000189339 [0,0,0,0,0,0|1,0,1]=2 12 B15R1.594 CNCc1ccc(c(c1)OC)OC(C)C 207a_100102657272_100000169854 [0,0,0,0,0,0|2,0,2]=4 13 B15R1.594 CNCc1ccc(c(c1)OC)OC(C)C 2230a_100000738442_200000210301 [0,0,0,0,0,0|2,0,2]=4 14 B15R1.594 CNCc1ccc(c(c1)OC)OC(C)C 270004a_106832991635_100000169854 [0,0,0,0,0,0|2,0,2]=4 15 B15R1.594 CNCc1ccc(c(c1)OC)OC(C)C 34a_100000738442_200000210301 [0,0,0,0,0,0|2,0,2]=4 16 B15R1.594 COc1cc(ccc1C=C(C)C)CC#N 271570a_100102525489_100010176002 [0,0,0,0,0,0|3,0,1]=4 17 B15R1.594 COc1cc(ccc1NC(=O)C)NCF 34a_100015186897_100015361967 [0,0,0,0,0,0|3,0,1]=4 18 B15R1.594 COc1cc(ccc1NC(=O)C)NCF 7a_100015186897_100015361967 [0,0,0,0,0,0|3,0,1]=4 19 B15R1.594 COc1cc(ccc1OC(C)C)CC#N 34a_100000032377_100000210206 [0,0,0,0,0,0|2,0,2]=4 20 B15R1.594 COc1cc(ccc1OC(C)C)CCBr 34a_100010741665_100000210206 [0,0,0,0,0,0|2,0,2]=4 21 B15R1.594 COc1cc(ccc1OC(C)C)CCBr 7a_100010741665_100000210206 [0,0,0,0,0,0|2,0,2]=4 22 B15R1.594 COc1cc(ccc1OC(C)C)CCN 34a_100000756042_100000210206 [0,0,0,0,0,0|2,0,2]=4 23 B15R1.594 COc1cc(ccc1OC(C)C)CCO 34a_100011215244_100000210206 [0,0,0,0,0,0|2,0,2]=4 24 B15R1.594 COc1cc(ccc1OC(C)C)CN[13CH3] 2230a_100000738442_200025704644 [0,0,0,0,0,0|2,0,2]=4 25 B15R1.594 COc1cc(ccc1OC(C)C)CN[13CH3] 34a_100000738442_200025704644 [0,0,0,0,0,0|2,0,2]=4 26 B14R1.101 C=Cc1ccc(c(c1)OC)NC(=O)C 271570a_100011290941_100009813048 [1,0,0,0,0,0|1,0,0]=2 27 B14R1.101 C=Cc1ccc(c(c1)OC)OC(C)C 271570a_100011290941_100012354883 [1,0,0,0,0,0|1,0,1]=3 28 B14R1.101 C=Cc1ccc(c(c1)OC)OC(C)C 34a_100011217988_100000210206 [1,0,0,0,0,0|1,0,1]=3 29 B14R1.101 CCc1ccc(c(c1)OC)C=C(C)C 271570a_100102525489_200010710389 [1,0,0,0,0,0|2,0,1]=4 30 B14R1.101 CCc1ccc(c(c1)OC)OC(C)C 34a_100000186467_100000210206 [1,0,0,0,0,0|1,0,2]=4 31 B14R1.101 CCc1ccc(c(c1)OC)OC(C)C 7a_100000186467_100000210206 [1,0,0,0,0,0|1,0,2]=4 32 B14R1.101 CNc1ccc(c(c1)OC)NC(=O)C 34a_100015186897_200000210301 [1,0,0,0,0,0|2,0,1]=4 33 B14R1.101 CNc1ccc(c(c1)OC)NC(=O)C 7a_100015186897_200000210301 [1,0,0,0,0,0|2,0,1]=4 34 B14R1.101 COc1cc(ccc1C=C(C)C)C=O 271570a_100102525489_100010244714 [1,0,0,0,0,0|3,0,0]=4 35 B14R1.101 COc1cc(ccc1C=C(C)C)CO 271570a_100102525489_100010234685 [1,0,0,0,0,0|3,0,0]=4 36 B14R1.101 COc1cc(ccc1NC(=O)C)C#N 11a_100000701993_100015343762 [1,0,0,0,0,0|2,0,1]=4 37 B14R1.101 COc1cc(ccc1NC(=O)C)C#N 1626a_100000701993_100015343762 [1,0,0,0,0,0|2,0,1]=4 38 B14R1.101 COc1cc(ccc1NC(=O)C)C#N 22a_100000701993_100000070787 [1,0,0,0,0,0|2,0,1]=4 39 B14R1.101 COc1cc(ccc1NC(=O)C)C#N 527a_100000701993_100103153847 [1,0,0,0,0,0|2,0,1]=4 40 B14R1.101 COc1cc(ccc1NC(=O)C)CO 22a_100000087641_100000070787 [1,0,0,0,0,0|2,0,0]=3 41 B14R1.101 COc1cc(ccc1NC(=O)C)N[13CH3] 34a_100015186897_200025704644 [1,0,0,0,0,0|2,0,1]=4 42 B14R1.101 COc1cc(ccc1NC(=O)C)N[13CH3] 7a_100015186897_200025704644 [1,0,0,0,0,0|2,0,1]=4 43 B14R1.101 COc1cc(ccc1NC(=O)C)SC 11a_100000766855_100015343762 [1,0,0,0,0,0|2,0,1]=4 44 B14R1.101 COc1cc(ccc1NC(=O)C)SC 22a_100000766855_100000070787 [1,0,0,0,0,0|2,0,1]=4 45 B14R1.101 COc1cc(ccc1NC(=O)C)SC 527a_100000766855_100103153847 [1,0,0,0,0,0|2,0,1]=4 46 B14R1.101 COc1cc(ccc1OC(C)C)CN 34a_100000185554_100000210206 [1,0,0,0,0,0|2,0,1]=4 47 B14R1.101 COc1ccc(c(c1)OC)CC(=O)C 1458a_100000195418_200000210301 [1,0,0,0,0,0|2,0,1]=4 48 B14R1.101 COc1ccc(c(c1)OC)CC(=O)[13CH3] 1458a_100000195418_200025704644 [1,0,0,0,0,0|2,0,1]=4 49 B14R1.101 COc1ccc(c(c1)OC)NC(=O)C 11a_100000211191_100015343762 [1,0,0,0,0,0|2,0,1]=4 50 B14R1.101 COc1ccc(c(c1)OC)NC(=O)C 1626a_100000211191_100015343762 [1,0,0,0,0,0|2,0,1]=4 51 B14R1.101 COc1ccc(c(c1)OC)NC(=O)C 22a_100000211191_100000070787 [1,0,0,0,0,0|2,0,1]=4 52 B14R1.101 COc1ccc(c(c1)OC)NC(=O)C 527a_100000211191_100103153847 [1,0,0,0,0,0|2,0,1]=4 53 B14R1.490 C=C=Cc1ccc(c(c1)C)NC(=O)C 271570a_100015277604_100000152120 [1,0,0,0,0,0|1,0,2]=4 54 B14R1.490 C=C=Cc1ccc(c(c1)F)OC(=O)C 271570a_100015277604_100009811628 [1,0,0,0,0,0|1,0,2]=4 55 B14R1.490 CC=Cc1ccc(c(c1)C)NC(=O)C 271570a_100016259895_100000152120 [1,0,0,0,0,0|1,0,2]=4 56 B14R1.490 CC=Cc1ccc(c(c1)F)OC(=O)C 271570a_100016259895_100009811628 [1,0,0,0,0,0|1,0,2]=4 57 B14R1.6788 C=C=Cc1ccc(c(c1)OC)OCC 271570a_100015277604_200012344064 [1,0,0,0,0,0|0,0,3]=4 58 B14R1.6788 C=CCc1ccc(c(c1)OC)CNC 26a_100102657272_100000181329 [1,0,0,0,0,0|2,0,0]=3 59 B14R1.6788 C=CCc1ccc(c(c1)OC)OCC 34a_100000181329_100000210202 [1,0,0,0,0,0|0,0,1]=2 60 B14R1.6788 C=CCc1ccc(c(c1)OC)OCF 34a_100000181329_100015361967 [1,0,0,0,0,0|1,0,1]=3 61 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 271570a_100016259895_200012344064 [1,0,0,0,0,0|0,0,3]=4 62 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100000057189_200000210301 [1,0,0,0,0,0|0,0,3]=4 63 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100015195088_100000210202 [1,0,0,0,0,0|0,0,3]=4 64 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 7a_100000057189_200000210301 [1,0,0,0,0,0|0,0,3]=4 65 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 34a_100000057189_200025704644 [1,0,0,0,0,0|0,0,3]=4 66 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 7a_100000057189_200025704644 [1,0,0,0,0,0|0,0,3]=4 67 B14R1.6788 CC=Cc1ccc(cc1OC)CC#N 271570a_100016259895_100010176002 [1,0,0,0,0,0|2,0,1]=4 68 B14R1.6788 CCCc1ccc(c(c1)OC)OCC 34a_100000012292_100000210202 [1,0,0,0,0,0|0,0,3]=4 69 B14R1.6788 CCCc1ccc(c(c1)OC)OCC 7a_100000012292_100000210202 [1,0,0,0,0,0|0,0,3]=4 70 B14R1.6788 CCOc1ccc(cc1OC)CC#N 34a_100000032377_100000210202 [1,0,0,0,0,0|1,0,2]=4 71 B14R1.6788 CCOc1ccc(cc1OC)CCBr 34a_100010741665_100000210202 [1,0,0,0,0,0|1,0,2]=4 72 B14R1.6788 CCOc1ccc(cc1OC)CCBr 7a_100010741665_100000210202 [1,0,0,0,0,0|1,0,2]=4 73 B14R1.6788 CCOc1ccc(cc1OC)CCN 34a_100000756042_100000210202 [1,0,0,0,0,0|1,0,2]=4 74 B14R1.6788 CCOc1ccc(cc1OC)CCO 34a_100011215244_100000210202 [1,0,0,0,0,0|1,0,2]=4 75 B14R1.6788 CCOc1ccc(cc1OC)CNC 207a_100102657272_100000169853 [1,0,0,0,0,0|1,0,2]=4 76 B14R1.6788 CCOc1ccc(cc1OC)CNC 2230a_200000739100_200000210301 [1,0,0,0,0,0|1,0,2]=4 77 B14R1.6788 CCOc1ccc(cc1OC)CNC 270004a_106832991635_100000169853 [1,0,0,0,0,0|1,0,2]=4 78 B14R1.6788 CCOc1ccc(cc1OC)CNC 34a_200000739100_200000210301 [1,0,0,0,0,0|1,0,2]=4 79 B14R1.6788 CCOc1ccc(cc1OC)CN[13CH3] 2230a_200000739100_200025704644 [1,0,0,0,0,0|1,0,2]=4 80 B14R1.6788 CCOc1ccc(cc1OC)CN[13CH3] 34a_200000739100_200025704644 [1,0,0,0,0,0|1,0,2]=4 81 B14R1.6788 CCOc1ccc(cc1OC)COC 34a_100000184821_200000210301 [1,0,0,0,0,0|1,0,2]=4 82 B14R1.6788 CCOc1ccc(cc1OC)CO[13CH3] 34a_100000184821_200025704644 [1,0,0,0,0,0|1,0,2]=4 83 B16R1.1260 C#CCNc1ccc(c(c1)OC)NC(=O)C 34a_100015186897_100000184674 [0,1,0,0,0,0|1,0,2]=4 84 B16R1.1260 C#CCNc1ccc(c(c1)OC)NC(=O)C 7a_100015186897_100000038162 [0,1,0,0,0,0|1,0,2]=4 85 B16R1.1260 C=CCNc1ccc(c(c1)OC)NC(=O)C 34a_100015186897_100015514636 [0,1,0,0,0,0|1,0,0]=2 86 B16R1.1260 C=CCNc1ccc(c(c1)OC)NC(=O)C 7a_100015186897_100015514636 [0,1,0,0,0,0|1,0,0]=2 87 B16R1.1260 C=CCNc1ccc(c(c1)OC)OC(F)F 2230a_100011279676_100000210623 [0,1,0,0,0,0|2,0,1]=4 88 B16R1.1260 C=CCNc1ccc(c(c1)OC)OC(F)F 34a_100011279676_100015514636 [0,1,0,0,0,0|2,0,1]=4 89 B16R1.1260 C=CCSc1ccc(c(c1)OC)OC(C)C 62a_100000210623_100012354883 [0,1,0,0,0,0|1,0,1]=3 90 B16R1.1260 C=CCSc1ccc(c(c1)OC)OC(C)C 62a_100012354883_100000210623 [0,1,0,0,0,0|1,0,1]=3 91 B16R1.1260 CCCCc1ccc(c(c1)OC)NC(=O)C 271570a_100020621405_100009813048 [0,1,0,0,0,0|1,0,2]=4 92 B16R1.1260 CCCNc1ccc(c(c1)OC)NC(=O)C 34a_100015186897_100000210303 [0,1,0,0,0,0|1,0,2]=4 93 B16R1.1260 CCCNc1ccc(c(c1)OC)NC(=O)C 7a_100015186897_100000210303 [0,1,0,0,0,0|1,0,2]=4 94 B16R1.1260 CCNCc1ccc(c(c1)OC)OC(=O)C 207a_100015525214_100000189339 [0,1,0,0,0,0|0,0,2]=3 95 B16R1.1260 CCNCc1ccc(c(c1)OC)OC(=O)C 270004a_100015525214_100000189339 [0,1,0,0,0,0|0,0,2]=3 96 B16R1.1260 COc1cc(ccc1NC(=O)C)NCC#N 7a_100015186897_100011215382 [0,1,0,0,0,0|2,0,1]=4 97 B16R1.1260 COc1cc(ccc1NC(=O)C)NCC=O 34a_100015186897_200009817547 [0,1,0,0,0,0|2,0,0]=3 98 B16R1.1260 COc1cc(ccc1NC(=O)C)NCC=O 7a_100015186897_200015260668 [0,1,0,0,0,0|2,0,0]=3 99 B16R1.1260 COc1cc(ccc1NC(=O)C)NCCF 34a_100015186897_100011217306 [0,1,0,0,0,0|2,0,1]=4 100 B16R1.1260 COc1cc(ccc1NC(=O)C)NCCF 7a_100015186897_100011217306 [0,1,0,0,0,0|2,0,1]=4 101 B16R1.1260 COc1cc(ccc1NC(=O)C)NCCO 34a_100015186897_100000211926 [0,1,0,0,0,0|2,0,1]=4 102 B16R1.1260 COc1cc(ccc1NC(=O)C)NCCO 7a_100015186897_100000211926 [0,1,0,0,0,0|2,0,1]=4 103 B16R1.1260 COc1cc(ccc1NC(=O)C)NCSC 34a_100015186897_100011218213 [0,1,0,0,0,0|2,0,1]=4 104 B16R1.1260 COc1cc(ccc1OC(C)C)SCC=O 62a_100012354883_200015260668 [0,1,0,0,0,0|2,0,1]=4 105 B16R1.1260 COc1cc(ccc1OC(C)C)SCC=O 62a_200015260668_100012354883 [0,1,0,0,0,0|2,0,1]=4 106 B16R1.4178 CNCc1cc(c(c(c1)OC)OC(=O)C)Br 207a_100102657272_200000763639 [0,1,0,0,0,0|1,0,1]=3 107 B16R1.4178 CNCc1cc(c(c(c1)OC)OC(=O)C)Br 270004a_106832991635_200000763639 [0,1,0,0,0,0|1,0,1]=3 108 B16R1.4178 CNCc1cc(c(c(c1)OC)OC(=O)C)Cl 207a_100102657272_100000014685 [0,1,0,0,0,0|1,0,1]=3 109 B16R1.4178 CNCc1cc(c(c(c1)OC)OC(=O)C)Cl 270004a_106832991635_100000014685 [0,1,0,0,0,0|1,0,1]=3 110 B16R1.4178 CNCc1cc(c(c(c1)OC)OC(=O)C)I 207a_100102657272_200000014698 [0,1,0,0,0,0|1,0,1]=3 111 B16R1.4178 CNCc1cc(c(c(c1)OC)OC(=O)C)I 270004a_106832991635_200000014698 [0,1,0,0,0,0|1,0,1]=3 112 B16R1.4711 CNC(=O)c1ccc(c(c1)OC)OC(=O)C 11a_106832991635_100000056858 [0,1,0,0,0,0|1,0,2]=4 113 B16R1.4711 CNC(=O)c1ccc(c(c1)OC)OC(=O)C 1626a_100102657272_100000056858 [0,1,0,0,0,0|1,0,2]=4 114 B16R1.4711 CNC(=O)c1ccc(c(c1)OC)OC(=O)C 240690a_100102657272_100000056858 [0,1,0,0,0,0|1,0,2]=4 115 B16R1.4781 CC(=O)Oc1ccc(c(c1)S[13CH3])OC(=O)C 62a_200025704644_100009828021 [0,1,0,0,0,0|1,1,1]=4 116 B16R1.4781 COc1cc(ccc1NC(=O)C)C=C(C)C 271570a_100102525489_100009813048 [0,1,0,0,0,0|1,0,2]=4 117 B16R1.4781 COc1cc(ccc1NC(=O)C)NC(=O)C 11a_100015186897_100015343762 [0,1,0,0,0,0|2,0,1]=4 118 B16R1.4781 COc1cc(ccc1NC(=O)C)NC(=O)C 1626a_100015186897_100015343762 [0,1,0,0,0,0|2,0,1]=4 119 B16R1.4781 COc1cc(ccc1NC(=O)C)NC(=O)C 22a_100015186897_100000070787 [0,1,0,0,0,0|2,0,1]=4 120 B16R1.4781 COc1cc(ccc1NC(=O)C)NC(=O)C 527a_100015186897_100103153847 [0,1,0,0,0,0|2,0,1]=4 121 B16R1.4781 COc1cc(ccc1OC(=O)C)CN(C)C 270004a_100102631434_100000189339 [0,1,0,0,0,0|1,0,1]=3 122 B16R1.4781 COc1cc(ccc1OC(C)C)CC(=O)C 1458a_100010294056_200000210301 [0,1,0,0,0,0|1,0,2]=4 123 B16R1.4781 COc1cc(ccc1OC(C)C)CC(=O)C 34a_200000039568_100000210206 [0,1,0,0,0,0|1,0,2]=4 124 B16R1.4781 COc1cc(ccc1OC(C)C)CC(=O)[13CH3] 1458a_100010294056_200025704644 [0,1,0,0,0,0|1,0,2]=4 125 B16R1.4781 CSc1cc(ccc1OC(=O)C)OC(=O)C 62a_200000210301_100009828021 [0,1,0,0,0,0|1,1,1]=4 126 B16R1.13464 CCOc1cc(ccc1OC(=O)C)CNC 207a_100102657272_100000014720 [0,1,0,0,0,0|1,0,1]=3 127 B16R1.13464 CCOc1cc(ccc1OC(=O)C)CNC 270004a_106832991635_100000014720 [0,1,0,0,0,0|1,0,1]=3 128 B16R1.13490 C=CCc1ccc(c(c1)OC)OC(C)(C)C 34a_100000181329_100000210625 [0,1,0,0,0,0|1,0,1]=3 129 B16R1.13490 C=CCc1ccc(c(c1)OC)OC(F)(F)F 34a_100000181329_200103152311 [0,1,0,0,0,0|2,0,1]=4 130 B16R1.13491 C#CC(C)Oc1ccc(cc1OC)CC=C 34a_100000181329_200000035995 [0,1,0,0,0,0|1,0,1]=3 131 B16R1.13491 C=CCc1ccc(c(c1)OC)CN(C)CC 26a_100000225621_100000181329 [0,1,0,0,0,0|3,0,0]=4 132 B16R1.13491 C=CCc1ccc(c(c1)OC)OC(C)CC 34a_100000181329_100011215416 [0,1,0,0,0,0|1,0,1]=3 133 B16R1.13491 C=CCc1ccc(c(c1)OC)OC(C)CO 34a_100000181329_100012180447 [0,1,0,0,0,0|0,0,2]=3 134 B16R1.49275 CNCc1cc(c(cc1Br)OC(=O)C)OC 270004a_106832991635_100009814921 [0,1,0,0,0,0|1,0,1]=3 135 B16R2.1579 COc1cc2[nH]ccc2cc1C=C(C)C 271570a_100102525489_100010245498 [0,0,0,1,0,0|3,0,0]=4 136 B16R2.1579 COc1cc2[nH]ncc2cc1NC(=O)C 22a_100000100365_100000070787 [0,0,0,1,0,0|3,0,0]=4 137 B16R2.1579 COc1cc2[nH]ncc2cc1NC(=O)C 527a_100000100365_100103153847 [0,0,0,1,0,0|3,0,0]=4 138 B16R2.6904 COc1cc(ccc1NC(=O)C)C2CC2 271570a_100011220607_100009813048 [0,0,0,1,0,0|1,0,2]=4 139 B16R2.28803 C=CCc1ccc(c(c1)OC)OC2CC2 34a_100000181329_100000211595 [0,0,0,1,0,0|1,0,1]=3 140 B14R1.492 C=C(C)c1ccc(cc1OC)CC#N 271570a_100000694244_100010176002 [0,0,0,0,1,0|2,0,1]=4 141 B14R1.492 C=C=Cc1ccc(c(c1)OC)C(=O)C 271570a_100015277604_100000709911 [0,0,0,0,1,0|0,0,2]=3 142 B14R1.492 C=C=Cc1ccc(c(c1)OC)C(=O)N 271570a_100015277604_100000748320 [0,0,0,0,1,0|1,0,2]=4 143 B14R1.492 C=C=Cc1cnc(c(c1)OC)C(=O)C 271570a_100015277604_100010137934 [0,0,0,0,1,0|1,0,2]=4 144 B14R1.492 CC=Cc1ccc(c(c1)OC)C(=O)C 271570a_100016259895_100000709911 [0,0,0,0,1,0|0,0,2]=3 145 B14R1.492 CC=Cc1ccc(c(c1)OC)C(=O)N 271570a_100016259895_100000748320 [0,0,0,0,1,0|1,0,2]=4 146 B14R1.492 CC=Cc1cnc(c(c1)OC)C(=O)C 271570a_100016259895_100010137934 [0,0,0,0,1,0|1,0,2]=4 147 B14R1.492 CCOc1ccc(c(c1)OC)C(=O)C 34a_100000116857_100000210202 [0,0,0,0,1,0|1,0,2]=4 148 B14R1.492 CCOc1ccc(c(c1)OC)C(=O)C 7a_100000040345_200000210301 [0,0,0,0,1,0|1,0,2]=4 149 B14R1.492 CCOc1ccc(c(c1)OC)C(=O)C 7a_100000116857_100000210202 [0,0,0,0,1,0|1,0,2]=4 150 B14R1.492 CCOc1ccc(c(c1)O[13CH3])C(=O)C 7a_100000040345_200025704644 [0,0,0,0,1,0|1,0,2]=4 151 B14R1.492 CCSc1ccc(c(c1)OC)C(=O)C 62a_100000709911_100000210202 [0,0,0,0,1,0|1,0,2]=4 152 B14R1.492 COc1cc(ccc1C(=O)C)OCF 34a_100000116857_100015361967 [0,0,0,0,1,0|2,0,1]=4 153 B14R1.492 COc1cc(ccc1C(=O)C)OCF 7a_100000116857_100015361967 [0,0,0,0,1,0|2,0,1]=4 154 B14R1.492 COc1cc(ccc1C(=O)C)SCF 62a_100000709911_100015361967 [0,0,0,0,1,0|2,0,1]=4 155 B16R1.13466 C/C=C/c1ccc(c(c1)OC)OCC(=O)C 1458a_100000184084_200000210301 [0,0,0,0,0,1|0,0,2]=3 156 B16R1.13466 C/C=C/c1ccc(c(c1)OC)OCC(=O)[13CH3] 1458a_100000184084_200025704644 [0,0,0,0,0,1|0,0,2]=3 157 B16R1.13466 C=C(C)COc1ccc(cc1OC)C=CC 34a_100015195088_100000748629 [0,0,0,0,0,1|1,0,2]=4 158 B16R1.13466 C=C(C)COc1ccc(cc1OC)CC#N 34a_100000032377_100000748629 [0,0,0,0,0,1|2,0,1]=4 159 B16R1.13466 C=C(C)COc1ccc(cc1OC)CCBr 34a_100010741665_100000748629 [0,0,0,0,0,1|2,0,1]=4 160 B16R1.13466 C=C(C)COc1ccc(cc1OC)CCBr 7a_100010741665_100000748629 [0,0,0,0,0,1|2,0,1]=4 161 B16R1.13466 C=C(C)COc1ccc(cc1OC)CCC 34a_100000012292_100000748629 [0,0,0,0,0,1|1,0,2]=4 162 B16R1.13466 C=C(C)COc1ccc(cc1OC)CCC 7a_100000012292_100000748629 [0,0,0,0,0,1|1,0,2]=4 163 B16R1.13466 C=C(C)COc1ccc(cc1OC)CCN 34a_100000756042_100000748629 [0,0,0,0,0,1|2,0,1]=4 164 B16R1.13466 C=C(C)COc1ccc(cc1OC)CCO 34a_100011215244_100000748629 [0,0,0,0,0,1|2,0,1]=4 165 B16R1.13466 C=CCc1ccc(c(c1)OC)OCC(=C)C 34a_100000181329_100000748629 [0,0,0,0,0,1|1,0,0]=2 166 B16R1.13466 C=CCc1ccc(c(c1)OC)OCC(=C)F 34a_100000181329_100009893438 [0,0,0,0,0,1|1,0,1]=3 167 B16R1.13466 C=CCc1ccc(c(c1)OC)OCC(=O)C 1458a_100000010838_200000210301 [0,0,0,0,0,1|0,0,0]=1 168 B16R1.13466 C=CCc1ccc(c(c1)OC)OCC(=O)N 34a_100000181329_100000187820 [0,0,0,0,0,1|1,0,0]=2 169 B16R1.13466 C=CCc1ccc(c(c1)OC)OCC(=O)[13CH3] 1458a_100000010838_200025704644 [0,0,0,0,0,1|0,0,0]=1 170 B16R1.13466 C=CCc1ccc(c(c1)OC)OCC(=O)[O-] 34a_100000181329_100020667443 [0,0,0,0,0,1|1,0,0]=2 171 B16R1.13466 C=CCc1ccc(c(c1)OC)OCC(C)C 34a_100000181329_100000210624 [0,0,0,0,0,1|1,0,1]=3 172 B16R1.13466 C=CCc1ccc(c(c1)OC)OCC(C)O 34a_100000181329_100011218427 [0,0,0,0,0,1|0,0,2]=3 173 B16R1.13466 C=CCc1ccc(c(c1)OC)OCC(F)F 34a_100000181329_100011934356 [0,0,0,0,0,1|2,0,1]=4 174 B16R1.13466 C=CCc1ccc(c(c1)OC)OC[C@@H](C)O 34a_100000181329_100009817552 [0,0,0,0,0,1|0,0,2]=3 175 B16R1.13466 C=CCc1ccc(c(c1)OC)OC[N+](=O)[O-] 34a_100000181329_100000761209 [0,0,0,0,0,1|2,0,0]=3 176 B16R1.13466 CC=Cc1ccc(c(c1)OC)OCC(=O)N 34a_100015195088_100000187820 [0,0,0,0,0,1|1,0,2]=4 177 B16R1.13466 CC=Cc1ccc(c(c1)OC)OCC(=O)[O-] 34a_100015195088_100020667443 [0,0,0,0,0,1|1,0,2]=4 178 B16R1.13466 CCCc1ccc(c(c1)OC)OCC(=O)N 34a_100000012292_100000187820 [0,0,0,0,0,1|1,0,2]=4 179 B16R1.13466 CCCc1ccc(c(c1)OC)OCC(=O)N 7a_100000012292_100000187820 [0,0,0,0,0,1|1,0,2]=4 180 B16R1.13466 CCCc1ccc(c(c1)OC)OCC(=O)[O-] 34a_100000012292_100020667443 [0,0,0,0,0,1|1,0,2]=4 181 B16R1.13466 CNCc1ccc(c(c1)OC)OCC(=O)N 207a_100102657272_100000150108 [0,0,0,0,0,1|2,0,1]=4 182 B16R1.13466 CNCc1ccc(c(c1)OC)OCC(=O)N 270004a_106832991635_100000150108 [0,0,0,0,0,1|2,0,1]=4 183 B16R1.13466 COc1cc(ccc1OCC(=O)N)CC#N 34a_100000032377_100000187820 [0,0,0,0,0,1|2,0,1]=4 184 B16R1.13466 COc1cc(ccc1OCC(=O)N)CCBr 34a_100010741665_100000187820 [0,0,0,0,0,1|2,0,1]=4 185 B16R1.13466 COc1cc(ccc1OCC(=O)N)CCBr 7a_100010741665_100000187820 [0,0,0,0,0,1|2,0,1]=4 186 B16R1.13466 COc1cc(ccc1OCC(=O)N)CCN 34a_100000756042_100000187820 [0,0,0,0,0,1|2,0,1]=4 187 B16R1.13466 COc1cc(ccc1OCC(=O)N)CCO 34a_100011215244_100000187820 [0,0,0,0,0,1|2,0,1]=4 188 B16R1.13466 COc1cc(ccc1OCC(=O)[O-])CC#N 34a_100000032377_100020667443 [0,0,0,0,0,1|2,0,1]=4 189 B16R1.13466 COc1cc(ccc1OCC(=O)[O-])CCBr 34a_100010741665_100020667443 [0,0,0,0,0,1|2,0,1]=4 190 B16R1.13466 COc1cc(ccc1OCC(=O)[O-])CCN 34a_100000756042_100020667443 [0,0,0,0,0,1|2,0,1]=4 191 B16R1.13466 COc1cc(ccc1OCC(=O)[O-])CCO 34a_100011215244_100020667443 [0,0,0,0,0,1|2,0,1]=4 192 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])C 2230a_100000750913_200025704644 [2,0,0,0,0,0|2,0,0]=4 193 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])C 34a_100000750913_200025704644 [2,0,0,0,0,0|2,0,0]=4 194 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])C 7a_100000750913_200025704644 [2,0,0,0,0,0|2,0,0]=4 195 B13R1.51 CC(=O)Nc1ccc(cc1O[13CH3])C 34a_100000161862_200025704644 [2,0,0,0,0,0|1,0,0]=3 196 B13R1.51 CC(=O)Nc1ccc(cc1O[13CH3])C 7a_100000161862_200025704644 [2,0,0,0,0,0|1,0,0]=3 197 B13R1.51 CC(=O)Nc1ccc(cc1S[13CH3])C 62a_200025704644_100000152032 [2,0,0,0,0,0|1,1,0]=4 198 B13R1.51 CNc1cc(ccc1NC(=O)C)C 2230a_100000750913_200000210301 [2,0,0,0,0,0|2,0,0]=4 199 B13R1.51 CNc1cc(ccc1NC(=O)C)C 34a_100000750913_200000210301 [2,0,0,0,0,0|2,0,0]=4 200 B13R1.51 CNc1cc(ccc1NC(=O)C)C 7a_100000750913_200000210301 [2,0,0,0,0,0|2,0,0]=4 201 B13R1.51 COc1cc(ccc1C=C(C)C)C 271570a_100102525489_100010200004 [2,0,0,0,0,0|2,0,0]=4 202 B13R1.51 COc1cc(ccc1CC(=O)C)Br 1458a_100000070787_100012359436 [2,0,0,0,0,0|2,0,0]=4 203 B13R1.51 COc1cc(ccc1CC(=O)C)Br 1458a_100010245118_200000210301 [2,0,0,0,0,0|2,0,0]=4 204 B13R1.51 COc1cc(ccc1CC(=O)C)Cl 1458a_100010217541_200000210301 [2,0,0,0,0,0|2,0,0]=4 205 B13R1.51 COc1cc(ccc1CC(=O)C)F 1458a_100000062011_200000210301 [2,0,0,0,0,0|2,0,0]=4 206 B13R1.51 COc1cc(ccc1CC(=O)C)F 1458a_100000070787_200010171551 [2,0,0,0,0,0|2,0,0]=4 207 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])Br 1458a_100010245118_200025704644 [2,0,0,0,0,0|2,0,0]=4 208 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])Cl 1458a_100010217541_200025704644 [2,0,0,0,0,0|2,0,0]=4 209 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])F 1458a_100000062011_200025704644 [2,0,0,0,0,0|2,0,0]=4 210 B13R1.51 COc1cc(ccc1NC(=O)C)Br 11a_100011279103_100015343762 [2,0,0,0,0,0|2,0,0]=4 211 B13R1.51 COc1cc(ccc1NC(=O)C)Br 1626a_100011279103_100015343762 [2,0,0,0,0,0|2,0,0]=4 212 B13R1.51 COc1cc(ccc1NC(=O)C)Br 22a_100011279103_100000070787 [2,0,0,0,0,0|2,0,0]=4 213 B13R1.51 COc1cc(ccc1NC(=O)C)C 11a_100000746441_100015343762 [2,0,0,0,0,0|1,0,0]=3 214 B13R1.51 COc1cc(ccc1NC(=O)C)C 1626a_100000746441_100015343762 [2,0,0,0,0,0|1,0,0]=3 215 B13R1.51 COc1cc(ccc1NC(=O)C)C 22a_100000746441_100000070787 [2,0,0,0,0,0|1,0,0]=3 216 B13R1.51 COc1cc(ccc1NC(=O)C)C 34a_100000161862_200000210301 [2,0,0,0,0,0|1,0,0]=3 217 B13R1.51 COc1cc(ccc1NC(=O)C)C 527a_100000746441_100103153847 [2,0,0,0,0,0|1,0,0]=3 218 B13R1.51 COc1cc(ccc1NC(=O)C)C 7a_100000161862_200000210301 [2,0,0,0,0,0|1,0,0]=3 219 B13R1.51 COc1cc(ccc1NC(=O)C)Cl 11a_100000707585_100015343762 [2,0,0,0,0,0|2,0,0]=4 220 B13R1.51 COc1cc(ccc1NC(=O)C)Cl 1626a_100000707585_100015343762 [2,0,0,0,0,0|2,0,0]=4 221 B13R1.51 COc1cc(ccc1NC(=O)C)Cl 22a_100000707585_100000070787 [2,0,0,0,0,0|2,0,0]=4 222 B13R1.51 COc1cc(ccc1NC(=O)C)F 11a_100000737216_100015343762 [2,0,0,0,0,0|2,0,0]=4 223 B13R1.51 COc1cc(ccc1NC(=O)C)F 1626a_100000737216_100015343762 [2,0,0,0,0,0|2,0,0]=4 224 B13R1.51 COc1cc(ccc1NC(=O)C)F 22a_100000737216_100000070787 [2,0,0,0,0,0|2,0,0]=4 225 B13R1.51 COc1cc(ccc1NC(=O)C)F 527a_100000737216_100103153847 [2,0,0,0,0,0|2,0,0]=4 226 B13R1.51 COc1cc(ccc1NC(=O)C)I 11a_100015196925_100015343762 [2,0,0,0,0,0|2,0,0]=4 227 B13R1.51 COc1cc(ccc1NC(=O)C)I 1626a_100015196925_100015343762 [2,0,0,0,0,0|2,0,0]=4 228 B13R1.51 COc1cc(ccc1NC(=O)C)I 22a_100015196925_100000070787 [2,0,0,0,0,0|2,0,0]=4 229 B13R1.51 COc1cc(ccc1NC(=O)C)O 22a_100015326901_100000070787 [2,0,0,0,0,0|2,0,0]=4 230 B13R1.51 COc1cc(ccc1NC(=O)C)O 271570a_203496583355_100009813048 [2,0,0,0,0,0|2,0,0]=4 231 B13R1.51 COc1cc(ccc1NC(=O)C)O 527a_100015326901_100103153847 [2,0,0,0,0,0|2,0,0]=4 232 B13R1.51 COc1cc(ccc1OC(C)C)C 34a_100000186466_100000210206 [2,0,0,0,0,0|1,0,1]=4 233 B13R1.51 CSc1cc(ccc1NC(=O)C)C 62a_200000210301_100000152032 [2,0,0,0,0,0|1,1,0]=4 234 B13R1.653 C=Cc1ccc(c(c1)C)NC(=O)C 271570a_100011290941_100000152120 [2,0,0,0,0,0|1,0,0]=3 235 B13R1.653 C=Cc1ccc(c(c1)C)OC(C)C 271570a_100011290941_200011825982 [2,0,0,0,0,0|1,0,1]=4 236 B13R1.653 C=Cc1ccc(c(c1)Cl)NC(=O)C 271570a_100011290941_100011273303 [2,0,0,0,0,0|2,0,0]=4 237 B13R1.653 C=Cc1ccc(c(c1)F)NC(=O)C 271570a_100011290941_100000155584 [2,0,0,0,0,0|2,0,0]=4 238 B13R1.653 C=Cc1ccc(c(c1)F)OC(=O)C 271570a_100011290941_100009811628 [2,0,0,0,0,0|1,0,0]=3 239 B13R1.653 C=Cc1ccc(c(c1)N)NC(=O)C 271570a_100011290941_100000749274 [2,0,0,0,0,0|2,0,0]=4 240 B13R1.653 C=Cc1cnc(c(c1)C)NC(=O)C 271570a_100011290941_200011934169 [2,0,0,0,0,0|2,0,0]=4 241 B13R1.653 CC(=O)Nc1ccc(cc1C)CO 22a_200011997030_100000070787 [2,0,0,0,0,0|2,0,0]=4 242 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 11a_100011226020_100015343762 [2,0,0,0,0,0|1,0,1]=4 243 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 1626a_100011226020_100015343762 [2,0,0,0,0,0|1,0,1]=4 244 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 22a_100011226020_100000070787 [2,0,0,0,0,0|1,0,1]=4 245 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 527a_100011226020_100103153847 [2,0,0,0,0,0|1,0,1]=4 246 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 22a_100000124328_100000070787 [2,0,0,0,0,0|1,0,1]=4 247 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 527a_100000124328_100103153847 [2,0,0,0,0,0|1,0,1]=4 248 B13R1.1249 C=Cc1ccc(c(c1)CC)OCC 271570a_100011290941_200010070707 [2,0,0,0,0,0|1,0,1]=4 249 B13R1.1249 C=Cc1ccc(c(c1)OC)CNC 26a_100102657272_100011217988 [2,0,0,0,0,0|2,0,0]=4 250 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 271570a_100011290941_200012344064 [2,0,0,0,0,0|0,0,1]=3 251 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 34a_100011217988_100000210202 [2,0,0,0,0,0|0,0,1]=3 252 B13R1.1249 C=Cc1ccc(c(c1)OC)OCF 34a_100011217988_100015361967 [2,0,0,0,0,0|1,0,1]=4 253 B13R1.1249 C=Cc1cnc(c(c1)OC)OCC 271570a_100011290941_200010116856 [2,0,0,0,0,0|1,0,1]=4 254 B13R1.1249 CC=Cc1ccc(cc1OC)C=O 271570a_100016259895_100010244714 [2,0,0,0,0,0|2,0,0]=4 255 B13R1.1249 CC=Cc1ccc(cc1OC)CC 271570a_100016259895_200010710389 [2,0,0,0,0,0|1,0,1]=4 256 B13R1.1249 CC=Cc1ccc(cc1OC)CO 271570a_100016259895_100010234685 [2,0,0,0,0,0|2,0,0]=4 257 B13R1.1249 CCOc1ccc(cc1OC)CC 34a_100000186467_100000210202 [2,0,0,0,0,0|0,0,2]=4 258 B13R1.1249 CCOc1ccc(cc1OC)CC 7a_100000186467_100000210202 [2,0,0,0,0,0|0,0,2]=4 259 B13R1.1249 CCOc1ccc(cc1OC)CN 34a_100000185554_100000210202 [2,0,0,0,0,0|1,0,1]=4 260 B13R1.142 C=C=Cc1ccc(cc1)OC(=O)C 271570a_100015277604_100000002173 [2,0,0,0,0,0|0,0,2]=4 261 B13R1.142 C=CCc1ccc(cc1)OC(C)C 34a_100000078792_100000210206 [2,0,0,0,0,0|1,0,1]=4 262 B13R1.142 C=CCc1ccc(cc1)OC(C)C 7a_100000078792_100000210206 [2,0,0,0,0,0|1,0,1]=4 263 B13R1.142 CC(=O)Oc1ccc(cc1)CS[13CH3] 62a_200025704644_100000033664 [2,0,0,0,0,0|1,0,1]=4 264 B13R1.142 CC=Cc1ccc(cc1)OC(=O)C 271570a_100016259895_100000002173 [2,0,0,0,0,0|0,0,2]=4 265 B13R1.142 CNCc1ccc(cc1)OC(=O)C 207a_100102657272_100000014718 [2,0,0,0,0,0|1,0,1]=4 266 B13R1.142 CNCc1ccc(cc1)OC(=O)C 2230a_106832991635_100000033664 [2,0,0,0,0,0|1,0,1]=4 267 B13R1.142 CNCc1ccc(cc1)OC(=O)C 270004a_106832991635_100000014718 [2,0,0,0,0,0|1,0,1]=4 268 B13R1.142 CNCc1ccc(cc1)OC(=O)C 7a_106832991635_100000033664 [2,0,0,0,0,0|1,0,1]=4 269 B13R1.142 CSCc1ccc(cc1)OC(=O)C 62a_200000210301_100000033664 [2,0,0,0,0,0|1,0,1]=4 270 B13R1.386 C=C=Cc1ccc(c(c1)OC)C=O 271570a_100015277604_100000697075 [2,0,0,0,0,0|0,0,2]=4 271 B13R1.386 C=C=Cc1ccc(c(c1)OC)OC 271570a_100015277604_100000187503 [2,0,0,0,0,0|0,0,2]=4 272 B13R1.386 C=CCc1ccc(c(c1)OC)OC 34a_100000181329_200000210301 [2,0,0,0,0,0|0,0,0]=2 273 B13R1.386 C=CCc1ccc(c(c1)OC)O[13CH3] 34a_100000181329_200025704644 [2,0,0,0,0,0|0,0,0]=2 274 B13R1.386 CC=Cc1ccc(c(c1)OC)C=O 271570a_100016259895_100000697075 [2,0,0,0,0,0|0,0,2]=4 275 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [2,0,0,0,0,0|0,0,2]=4 276 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [2,0,0,0,0,0|0,0,2]=4 277 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [2,0,0,0,0,0|0,0,2]=4 278 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [2,0,0,0,0,0|0,0,2]=4 279 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [2,0,0,0,0,0|0,0,2]=4 280 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [2,0,0,0,0,0|0,0,2]=4 281 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [2,0,0,0,0,0|0,0,2]=4 282 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [2,0,0,0,0,0|1,0,1]=4 283 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [2,0,0,0,0,0|1,0,1]=4 284 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [2,0,0,0,0,0|1,0,1]=4 285 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [2,0,0,0,0,0|1,0,1]=4 286 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [2,0,0,0,0,0|1,0,1]=4 287 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [2,0,0,0,0,0|1,0,1]=4 288 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [2,0,0,0,0,0|1,0,1]=4 289 B13R1.386 COc1cc(ccc1O[13CH3])CC#N 34a_100000032377_200025704644 [2,0,0,0,0,0|1,0,1]=4 290 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 34a_100010741665_200025704644 [2,0,0,0,0,0|1,0,1]=4 291 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 7a_100010741665_200025704644 [2,0,0,0,0,0|1,0,1]=4 292 B13R1.386 COc1cc(ccc1O[13CH3])CCN 34a_100000756042_200025704644 [2,0,0,0,0,0|1,0,1]=4 293 B13R1.386 COc1cc(ccc1O[13CH3])CCO 34a_100011215244_200025704644 [2,0,0,0,0,0|1,0,1]=4 294 B13R1.386 COc1ccc(cc1OC)CC#N 34a_100000032377_200000210301 [2,0,0,0,0,0|1,0,1]=4 295 B13R1.386 COc1ccc(cc1OC)CCBr 34a_100010741665_200000210301 [2,0,0,0,0,0|1,0,1]=4 296 B13R1.386 COc1ccc(cc1OC)CCBr 7a_100010741665_200000210301 [2,0,0,0,0,0|1,0,1]=4 297 B13R1.386 COc1ccc(cc1OC)CCN 34a_100000756042_200000210301 [2,0,0,0,0,0|1,0,1]=4 298 B13R1.386 COc1ccc(cc1OC)CCN 34a_100011207234_200000210301 [2,0,0,0,0,0|1,0,1]=4 299 B13R1.386 COc1ccc(cc1OC)CCO 34a_100011215244_200000210301 [2,0,0,0,0,0|1,0,1]=4 300 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [2,0,0,0,0,0|1,0,1]=4 301 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [2,0,0,0,0,0|1,0,1]=4 302 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [2,0,0,0,0,0|1,0,1]=4 303 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [2,0,0,0,0,0|1,0,1]=4 304 B13R1.386 COc1ccc(cc1O[13CH3])CCN 34a_100011207234_200025704644 [2,0,0,0,0,0|1,0,1]=4 305 B15R1.37 C=C(C)c1ccc(c(c1)OC)NC(=O)C 271570a_100000694244_100009813048 [1,1,0,0,0,0|1,0,0]=3 306 B15R1.37 C=C(C)c1ccc(c(c1)OC)OC(C)C 271570a_100000694244_100012354883 [1,1,0,0,0,0|1,0,1]=4 307 B15R1.37 COc1cc(ccc1NC(=O)C)C(=O)N 11a_100011850419_100015343762 [1,1,0,0,0,0|2,0,0]=4 308 B15R1.37 COc1cc(ccc1NC(=O)C)C(=O)N 1626a_100011850419_100015343762 [1,1,0,0,0,0|2,0,0]=4 309 B15R1.37 COc1cc(ccc1NC(=O)C)C(=O)N 22a_100011850419_100000070787 [1,1,0,0,0,0|2,0,0]=4 310 B15R1.37 COc1cc(ccc1NC(=O)C)C(=O)N 527a_100011850419_100103153847 [1,1,0,0,0,0|2,0,0]=4 311 B15R1.712 COc1cc(cc(c1OC(=O)C)O)C#N 271570a_203496583355_100009812363 [1,1,0,0,0,0|1,0,1]=4 312 B15R1.712 COc1cc(cc(c1OC(=O)C)O)C=O 271570a_203496583355_200000014698 [1,1,0,0,0,0|1,0,0]=3 313 B15R1.1822 COc1cc(c(cc1OC(=O)C)O)C=O 271570a_203496583355_100009814921 [1,1,0,0,0,0|1,0,0]=3 314 B15R1.1901 C=Cc1ccc(c(c1)OC)OC(C)(C)C 34a_100011217988_100000210625 [1,1,0,0,0,0|1,0,1]=4 315 B15R1.1902 C#CC(C)Oc1ccc(cc1OC)C=C 34a_100011217988_200000035995 [1,1,0,0,0,0|1,0,1]=4 316 B15R1.1902 C=Cc1ccc(c(c1)OC)OC(C)CC 34a_100011217988_100011215416 [1,1,0,0,0,0|1,0,1]=4 317 B15R1.1902 C=Cc1ccc(c(c1)OC)OC(C)CO 34a_100011217988_100012180447 [1,1,0,0,0,0|0,0,2]=4 318 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)CO 22a_100000087641_100000210414 [1,1,0,0,0,0|2,0,0]=4 319 B15R1.1902 COc1cc(ccc1NC(=O)CO)CO 22a_100000087641_100000210174 [1,1,0,0,0,0|2,0,0]=4 320 B15R1.1059 C=CCNc1ccc(c(c1)C)NC(=O)C 34a_100000736504_100015514636 [1,1,0,0,0,0|1,0,0]=3 321 B15R1.1059 C=CCNc1ccc(c(c1)C)NC(=O)C 7a_100000736504_100015514636 [1,1,0,0,0,0|1,0,0]=3 322 B15R1.1059 C=CCNc1ccc(c(c1)Cl)NC(=O)C 34a_100000244014_100015514636 [1,1,0,0,0,0|2,0,0]=4 323 B15R1.1059 C=CCNc1ccc(c(c1)Cl)NC(=O)C 7a_100000244014_100015514636 [1,1,0,0,0,0|2,0,0]=4 324 B15R1.1059 C=CCOc1ccc(c(c1)Cl)CC(=O)C 34a_200000084595_100015514636 [1,1,0,0,0,0|2,0,0]=4 325 B15R1.1059 C=CCOc1ccc(c(c1)Cl)CC(=O)C 7a_200000084595_100015514636 [1,1,0,0,0,0|2,0,0]=4 326 B15R1.1059 C=CCSc1ccc(c(c1)C)NC(=O)C 62a_100000210623_100000152120 [1,1,0,0,0,0|1,0,0]=3 327 B15R1.1059 C=CCSc1ccc(c(c1)C)OC(C)C 62a_100000210623_200011825982 [1,1,0,0,0,0|1,0,1]=4 328 B15R1.1059 C=CCSc1ccc(c(c1)C)OC(C)C 62a_200011825982_100000210623 [1,1,0,0,0,0|1,0,1]=4 329 B15R1.1059 C=CCSc1ccc(c(c1)Cl)NC(=O)C 62a_100000210623_100011273303 [1,1,0,0,0,0|2,0,0]=4 330 B15R1.1059 C=CCSc1ccc(c(c1)F)NC(=O)C 62a_100000210623_100000155584 [1,1,0,0,0,0|2,0,0]=4 331 B15R1.1059 C=CCSc1ccc(c(c1)F)OC(=O)C 62a_100000210623_100009811628 [1,1,0,0,0,0|1,0,0]=3 332 B15R1.1059 C=CCSc1ccc(c(c1)F)OC(=O)C 62a_100009811628_100000210623 [1,1,0,0,0,0|1,0,0]=3 333 B15R1.1059 C=CCSc1cnc(c(c1)C)NC(=O)C 62a_100000210623_200011934169 [1,1,0,0,0,0|2,0,0]=4 334 B15R1.1059 CC(=O)Nc1ccc(cc1C)NCC=O 34a_100000736504_200009817547 [1,1,0,0,0,0|2,0,0]=4 335 B15R1.1059 CC(=O)Nc1ccc(cc1C)NCC=O 7a_100000736504_200015260668 [1,1,0,0,0,0|2,0,0]=4 336 B15R1.1059 CC(=O)Nc1ccc(cc1C)SCC=O 62a_200015260668_100000152120 [1,1,0,0,0,0|2,0,0]=4 337 B15R1.1059 CC(=O)Oc1ccc(cc1F)SCC=O 62a_100009811628_200015260668 [1,1,0,0,0,0|2,0,0]=4 338 B15R1.1059 CC(=O)Oc1ccc(cc1F)SCC=O 62a_200015260668_100009811628 [1,1,0,0,0,0|2,0,0]=4 339 B15R1.3687 C=C=Cc1cc(c(c(c1)C)OC(=O)C)C 271570a_100015277604_200009816532 [1,1,0,0,0,0|0,0,2]=4 340 B15R1.3687 CC=Cc1cc(c(c(c1)C)OC(=O)C)C 271570a_100016259895_200009816532 [1,1,0,0,0,0|0,0,2]=4 341 B15R1.5387 CC(=O)Oc1ccc(c(c1)O)OC(=O)C 271570a_203496583355_100009828021 [1,1,0,0,0,0|1,0,1]=4 342 B15R1.9548 CCOc1ccc(cc1OC)CC(=O)C 1458a_100000061229_200000210301 [1,1,0,0,0,0|0,0,2]=4 343 B15R1.9548 CCOc1ccc(cc1OC)CC(=O)C 34a_200000039568_100000210202 [1,1,0,0,0,0|0,0,2]=4 344 B15R1.9548 CCOc1ccc(cc1OC)CC(=O)[13CH3] 1458a_100000061229_200025704644 [1,1,0,0,0,0|0,0,2]=4 345 B15R1.10883 C#CCOc1ccc(cc1OC)CC=C 34a_100000181329_100000184674 [1,1,0,0,0,0|0,0,2]=4 346 B15R1.10883 C=CCOc1ccc(cc1OC)CC=C 34a_100000181329_100015514636 [1,1,0,0,0,0|0,0,1]=3 347 B15R1.10883 C=CCc1ccc(c(c1)OC)OCC=O 34a_100000181329_200009817547 [1,1,0,0,0,0|0,0,0]=2 348 B15R1.10883 C=CCc1ccc(c(c1)OC)OCCC 34a_100000181329_100000210303 [1,1,0,0,0,0|0,0,1]=3 349 B15R1.10883 C=CCc1ccc(c(c1)OC)OCCF 34a_100000181329_100011217306 [1,1,0,0,0,0|0,0,1]=3 350 B15R1.10883 C=CCc1ccc(c(c1)OC)OCCO 34a_100000181329_100000211926 [1,1,0,0,0,0|0,0,1]=3 351 B15R1.10883 C=CCc1ccc(c(c1)OC)OCSC 34a_100000181329_100011218213 [1,1,0,0,0,0|0,0,1]=3 352 B15R1.10883 CC=Cc1ccc(c(c1)OC)OCC=O 34a_100015195088_200009817547 [1,1,0,0,0,0|0,0,2]=4 353 B15R1.10883 CCCc1ccc(c(c1)OC)OCC=O 34a_100000012292_200009817547 [1,1,0,0,0,0|0,0,2]=4 354 B15R1.10883 CCCc1ccc(c(c1)OC)OCC=O 7a_100000012292_200015260668 [1,1,0,0,0,0|0,0,2]=4 355 B15R1.10883 COc1cc(ccc1OCC=O)CC#N 34a_100000032377_200009817547 [1,1,0,0,0,0|1,0,1]=4 356 B15R1.10883 COc1cc(ccc1OCC=O)CCBr 34a_100010741665_200009817547 [1,1,0,0,0,0|1,0,1]=4 357 B15R1.10883 COc1cc(ccc1OCC=O)CCBr 7a_100010741665_200015260668 [1,1,0,0,0,0|1,0,1]=4 358 B15R1.10883 COc1cc(ccc1OCC=O)CCN 34a_100000756042_200009817547 [1,1,0,0,0,0|1,0,1]=4 359 B15R1.10883 COc1cc(ccc1OCC=O)CCO 34a_100011215244_200009817547 [1,1,0,0,0,0|1,0,1]=4 360 B15R1.12140 C=CCNc1ccc(c(c1)OC)OCC 2230a_100000184985_100000210623 [1,1,0,0,0,0|0,0,1]=3 361 B15R1.12140 C=CCNc1ccc(c(c1)OC)OCC 34a_100000184985_100015514636 [1,1,0,0,0,0|0,0,1]=3 362 B15R1.12140 C=CCSc1ccc(c(c1)CC)OCC 62a_100000210623_200010070707 [1,1,0,0,0,0|1,0,1]=4 363 B15R1.12140 C=CCSc1ccc(c(c1)CC)OCC 62a_200010070707_100000210623 [1,1,0,0,0,0|1,0,1]=4 364 B15R1.12140 C=CCSc1cnc(c(c1)OC)OCC 62a_100000210623_200010116856 [1,1,0,0,0,0|1,0,1]=4 365 B15R1.12140 CCOc1ccc(cc1OC)NCC=O 2230a_100000184985_200015260668 [1,1,0,0,0,0|1,0,1]=4 366 B15R1.12140 CCOc1ccc(cc1OC)NCC=O 34a_100000184985_200009817547 [1,1,0,0,0,0|1,0,1]=4 367 B15R1.1062 C#CCOc1ccc(c(c1)OC)C(=O)C 34a_100000116857_100000184674 [0,1,0,0,1,0|0,0,2]=4 368 B15R1.1062 C#CCOc1ccc(c(c1)OC)C(=O)C 7a_100000116857_100000038162 [0,1,0,0,1,0|0,0,2]=4 369 B15R1.1062 C=CCNc1ccc(c(c1)OC)[N+](=O)[O-] 2230a_102125277084_100000210623 [0,1,0,0,1,0|2,0,0]=4 370 B15R1.1062 C=CCNc1ccc(c(c1)OC)[N+](=O)[O-] 34a_102125277084_100015514636 [0,1,0,0,1,0|2,0,0]=4 371 B15R1.1062 C=CCOc1ccc(c(c1)OC)C(=O)C 34a_100000116857_100015514636 [0,1,0,0,1,0|0,0,0]=2 372 B15R1.1062 C=CCOc1ccc(c(c1)OC)C(=O)C 7a_100000116857_100015514636 [0,1,0,0,1,0|0,0,0]=2 373 B15R1.1062 C=CCOc1ccc(c(c1)OC)[N+](=O)[O-] 34a_100000723347_100015514636 [0,1,0,0,1,0|2,0,0]=4 374 B15R1.1062 C=CCOc1ccc(c(c1)OC)[N+](=O)[O-] 7a_100000723347_100015514636 [0,1,0,0,1,0|2,0,0]=4 375 B15R1.1062 C=CCSc1ccc(c(c1)OC)C(=O)C 62a_100000709911_100000210623 [0,1,0,0,1,0|0,0,0]=2 376 B15R1.1062 C=CCSc1ccc(c(c1)OC)C(=O)N 62a_100000748320_100000210623 [0,1,0,0,1,0|1,0,0]=3 377 B15R1.1062 C=CCSc1cnc(c(c1)OC)C(=O)C 62a_100000210623_100010137934 [0,1,0,0,1,0|1,0,0]=3 378 B15R1.1062 C=CCSc1cnc(c(c1)OC)C(=O)C 62a_100010137934_100000210623 [0,1,0,0,1,0|1,0,0]=3 379 B15R1.1062 CC(=O)c1ccc(cc1O[13CH3])OCCCl 34a_200010192467_200025704644 [0,1,0,0,1,0|1,0,1]=4 380 B15R1.1062 CC(=O)c1ccc(cc1O[13CH3])OCCCl 7a_200010192467_200025704644 [0,1,0,0,1,0|1,0,1]=4 381 B15R1.1062 CCCCc1ccc(c(c1)OC)C(=O)C 271570a_100020621405_100000709911 [0,1,0,0,1,0|0,0,2]=4 382 B15R1.1062 CCCOc1ccc(c(c1)OC)C(=O)C 34a_100000116857_100000210303 [0,1,0,0,1,0|0,0,2]=4 383 B15R1.1062 CCCOc1ccc(c(c1)OC)C(=O)C 7a_100000116857_100000210303 [0,1,0,0,1,0|0,0,2]=4 384 B15R1.1062 CCCSc1ccc(c(c1)OC)C(=O)C 62a_100000709911_100000210303 [0,1,0,0,1,0|0,0,2]=4 385 B15R1.1062 COCSc1ccc(c(c1)OC)C(=O)C 62a_100000709911_100000766300 [0,1,0,0,1,0|1,0,1]=4 386 B15R1.1062 COc1cc(ccc1C(=O)C)OCC#N 7a_100000116857_100011215382 [0,1,0,0,1,0|1,0,1]=4 387 B15R1.1062 COc1cc(ccc1C(=O)C)OCC=O 34a_100000116857_200009817547 [0,1,0,0,1,0|1,0,0]=3 388 B15R1.1062 COc1cc(ccc1C(=O)C)OCC=O 7a_100000116857_200015260668 [0,1,0,0,1,0|1,0,0]=3 389 B15R1.1062 COc1cc(ccc1C(=O)C)OCCCl 34a_200010192467_200000210301 [0,1,0,0,1,0|1,0,1]=4 390 B15R1.1062 COc1cc(ccc1C(=O)C)OCCCl 7a_200010192467_200000210301 [0,1,0,0,1,0|1,0,1]=4 391 B15R1.1062 COc1cc(ccc1C(=O)C)OCCF 34a_100000116857_100011217306 [0,1,0,0,1,0|1,0,1]=4 392 B15R1.1062 COc1cc(ccc1C(=O)C)OCCF 7a_100000116857_100011217306 [0,1,0,0,1,0|1,0,1]=4 393 B15R1.1062 COc1cc(ccc1C(=O)C)OCCO 34a_100000116857_100000211926 [0,1,0,0,1,0|1,0,1]=4 394 B15R1.1062 COc1cc(ccc1C(=O)C)OCCO 7a_100000116857_100000211926 [0,1,0,0,1,0|1,0,1]=4 395 B15R1.1062 COc1cc(ccc1C(=O)C)OCSC 34a_100000116857_100011218213 [0,1,0,0,1,0|1,0,1]=4 396 B15R1.1062 COc1cc(ccc1C(=O)C)SCC#N 62a_100000709911_100011215382 [0,1,0,0,1,0|1,0,1]=4 397 B15R1.1062 COc1cc(ccc1C(=O)C)SCC=O 62a_100000709911_200015260668 [0,1,0,0,1,0|1,0,0]=3 398 B15R1.1062 COc1cc(ccc1C(=O)C)SCCF 62a_100000709911_100011217306 [0,1,0,0,1,0|1,0,1]=4 399 B15R1.1062 COc1cc(ccc1C(=O)C)SCCO 62a_100000709911_100000211926 [0,1,0,0,1,0|1,0,1]=4 400 B15R1.1062 COc1cc(ccc1C(=O)C)SCSC 62a_100000709911_100011218213 [0,1,0,0,1,0|1,0,1]=4 401 B15R1.1062 COc1cc(ccc1C(=O)N)SCC=O 62a_100000748320_200015260668 [0,1,0,0,1,0|2,0,0]=4 402 B15R1.1062 COc1cc(cnc1C(=O)C)SCC=O 62a_100010137934_200015260668 [0,1,0,0,1,0|2,0,0]=4 403 B15R1.1062 COc1cc(cnc1C(=O)C)SCC=O 62a_200015260668_100010137934 [0,1,0,0,1,0|2,0,0]=4 404 B15R1.12449 CC(=O)Nc1ccc(c(c1)O[13CH3])C(=O)C 7a_100000040599_200025704644 [0,1,0,0,1,0|1,0,1]=4 405 B15R1.12449 CC(=O)Oc1ccc(c(c1)O[13CH3])C(=O)C 7a_100000040594_200025704644 [0,1,0,0,1,0|1,0,1]=4 406 B15R1.12449 COc1cc(ccc1C(=O)C)C=C(C)C 271570a_100102525489_100000709911 [0,1,0,0,1,0|0,0,2]=4 407 B15R1.12449 COc1cc(ccc1C(=O)C)NC(=O)C 7a_100000040599_200000210301 [0,1,0,0,1,0|1,0,1]=4 408 B15R1.12449 COc1cc(ccc1C(=O)C)OC(=O)C 7a_100000040594_200000210301 [0,1,0,0,1,0|1,0,1]=4 409 B17R1.18203 C=CCc1ccc(c(c1)OC)OCC(C)(C)C 34a_100000181329_100011219605 [0,1,0,0,0,1|1,0,1]=4 410 B17R1.18203 C=CCc1ccc(c(c1)OC)OCC(C)(C)F 34a_100000181329_100011997219 [0,1,0,0,0,1|1,0,1]=4 411 B17R1.18203 C=CCc1ccc(c(c1)OC)OCC(C)(C)O 34a_100000181329_100000764493 [0,1,0,0,0,1|0,0,2]=4 412 B17R1.18203 C=CCc1ccc(c(c1)OC)OCS(=O)(=O)[O-] 34a_100000181329_100009817235 [0,1,0,0,0,1|2,0,0]=4 413 B17R1.18206 C=CCc1ccc(c(c1)OC)OC(C)C(=O)N 34a_100000181329_100000702099 [0,1,0,0,0,1|1,0,0]=3 414 B17R1.18206 C=CCc1ccc(c(c1)OC)OC(F)C(=O)N 34a_100000181329_100009813875 [0,1,0,0,0,1|1,0,0]=3 415 B17R1.18206 C=CCc1ccc(c(c1)OC)OC(F)C(=O)[O-] 34a_100000181329_100020610796 [0,1,0,0,0,1|1,0,0]=3 416 B17R1.18206 CCCc1ccc(c(c1)OC)OC(C)C(=O)C 7a_100000012292_100000179758 [0,1,0,0,0,1|0,0,2]=4 417 B17R1.18206 COc1cc(ccc1OC(C)C(=O)C)CCBr 7a_100010741665_100000179758 [0,1,0,0,0,1|1,0,1]=4 418 B17R1.18208 C/C=C/c1ccc(c(c1)OC)OCC(=O)CC 1458a_100000184084_100000210202 [0,1,0,0,0,1|0,0,2]=4 419 B17R1.18208 C/C=C/c1ccc(c(c1)OC)OCC(=O)CF 1458a_100000184084_100015361967 [0,1,0,0,0,1|0,0,2]=4 420 B17R1.18208 C/C=C/c1ccc(c(c1)OC)OCC(=O)NC 11a_106832991635_100000184084 [0,1,0,0,0,1|0,0,2]=4 421 B17R1.18208 C/C=C/c1ccc(c(c1)OC)OCC(=O)NC 1626a_100102657272_100000184084 [0,1,0,0,0,1|0,0,2]=4 422 B17R1.18208 C/C=C/c1ccc(c(c1)OC)OCC(=O)NC 240690a_100102657272_100000184084 [0,1,0,0,0,1|0,0,2]=4 423 B17R1.18208 C/C=C/c1ccc(c(c1)OC)OCC(=O)NC 527a_100102657272_100000184084 [0,1,0,0,0,1|0,0,2]=4 424 B17R1.18208 C=CCc1ccc(c(c1)OC)OCC(=C)C#N 34a_100000181329_100000694840 [0,1,0,0,0,1|1,0,1]=4 425 B17R1.18208 C=CCc1ccc(c(c1)OC)OCC(=O)CC 1458a_100000010838_100000210202 [0,1,0,0,0,1|0,0,0]=2 426 B17R1.18208 C=CCc1ccc(c(c1)OC)OCC(=O)CF 1458a_100000010838_100015361967 [0,1,0,0,0,1|0,0,0]=2 427 B17R1.18208 C=CCc1ccc(c(c1)OC)OCC(=O)NC 11a_106832991635_100000010838 [0,1,0,0,0,1|0,0,0]=2 428 B17R1.18208 C=CCc1ccc(c(c1)OC)OCC(=O)NC 1626a_100102657272_100000010838 [0,1,0,0,0,1|0,0,0]=2 429 B17R1.18208 C=CCc1ccc(c(c1)OC)OCC(=O)NC 240690a_100102657272_100000010838 [0,1,0,0,0,1|0,0,0]=2 430 B17R1.18208 C=CCc1ccc(c(c1)OC)OCC(=O)NC 34a_100000181329_100000183359 [0,1,0,0,0,1|0,0,0]=2 431 B17R1.18208 C=CCc1ccc(c(c1)OC)OCC(=O)NC 527a_100102657272_100000010838 [0,1,0,0,0,1|0,0,0]=2 432 B17R1.18208 C=CCc1ccc(c(c1)OC)OCC(=O)OC 34a_100000181329_100000747449 [0,1,0,0,0,1|0,0,0]=2 433 B17R1.18208 C=CCc1ccc(c(c1)OC)OCC(C)CC 34a_100000181329_100000748023 [0,1,0,0,0,1|1,0,1]=4 434 B17R1.18208 C=CCc1ccc(c(c1)OC)OCC(O)CC 34a_100000181329_100011218378 [0,1,0,0,0,1|0,0,2]=4 435 B17R1.18208 C=CCc1ccc(c(c1)OC)OCC(O)CO 34a_100000181329_100011219619 [0,1,0,0,0,1|0,0,2]=4 436 B17R1.18208 C=CCc1ccc(c(c1)OC)OC[C@@H](C)CC 34a_100000181329_100009816398 [0,1,0,0,0,1|1,0,1]=4 437 B17R1.18208 C=CCc1ccc(c(c1)OC)OC[C@@H](C)CO 34a_100000181329_100000059175 [0,1,0,0,0,1|0,0,2]=4 438 B17R1.18208 C=CCc1ccc(c(c1)OC)OC[C@@H](O)CF 34a_100000181329_100015614560 [0,1,0,0,0,1|0,0,2]=4 439 B17R1.18208 C=CCc1ccc(c(c1)OC)OC[C@@H](O)CO 34a_100000181329_100009815848 [0,1,0,0,0,1|0,0,2]=4 440 B17R1.18208 CC=Cc1ccc(c(c1)OC)OCC(=O)NC 34a_100015195088_100000183359 [0,1,0,0,0,1|0,0,2]=4 441 B17R1.18208 CC=Cc1ccc(c(c1)OC)OCC(=O)OC 34a_100015195088_100000747449 [0,1,0,0,0,1|0,0,2]=4 442 B17R1.18208 CCC(=O)COc1ccc(cc1OC)CCBr 7a_100010741665_100000747405 [0,1,0,0,0,1|1,0,1]=4 443 B17R1.18208 CCCc1ccc(c(c1)OC)OCC(=O)CC 7a_100000012292_100000747405 [0,1,0,0,0,1|0,0,2]=4 444 B17R1.18208 CCCc1ccc(c(c1)OC)OCC(=O)NC 34a_100000012292_100000183359 [0,1,0,0,0,1|0,0,2]=4 445 B17R1.18208 CCCc1ccc(c(c1)OC)OCC(=O)NC 7a_100000012292_100000183359 [0,1,0,0,0,1|0,0,2]=4 446 B17R1.18208 CCCc1ccc(c(c1)OC)OCC(=O)OC 34a_100000012292_100000747449 [0,1,0,0,0,1|0,0,2]=4 447 B17R1.18208 CCCc1ccc(c(c1)OC)OCC(=O)OC 7a_100000012292_100000747449 [0,1,0,0,0,1|0,0,2]=4 448 B17R1.18208 CNC(=O)COc1ccc(cc1OC)CC#N 34a_100000032377_100000183359 [0,1,0,0,0,1|1,0,1]=4 449 B17R1.18208 CNC(=O)COc1ccc(cc1OC)CCBr 34a_100010741665_100000183359 [0,1,0,0,0,1|1,0,1]=4 450 B17R1.18208 CNC(=O)COc1ccc(cc1OC)CCBr 7a_100010741665_100000183359 [0,1,0,0,0,1|1,0,1]=4 451 B17R1.18208 CNC(=O)COc1ccc(cc1OC)CCN 34a_100000756042_100000183359 [0,1,0,0,0,1|1,0,1]=4 452 B17R1.18208 CNC(=O)COc1ccc(cc1OC)CCO 34a_100011215244_100000183359 [0,1,0,0,0,1|1,0,1]=4 453 B17R1.18208 CNCc1ccc(c(c1)OC)OCC(=O)OC 270004a_106832991635_100000148410 [0,1,0,0,0,1|1,0,1]=4 454 B17R1.18208 COC(=O)COc1ccc(cc1OC)CC#N 34a_100000032377_100000747449 [0,1,0,0,0,1|1,0,1]=4 455 B17R1.18208 COC(=O)COc1ccc(cc1OC)CCBr 34a_100010741665_100000747449 [0,1,0,0,0,1|1,0,1]=4 456 B17R1.18208 COC(=O)COc1ccc(cc1OC)CCBr 7a_100010741665_100000747449 [0,1,0,0,0,1|1,0,1]=4 457 B17R1.18208 COC(=O)COc1ccc(cc1OC)CCN 34a_100000756042_100000747449 [0,1,0,0,0,1|1,0,1]=4 458 B17R1.18208 COC(=O)COc1ccc(cc1OC)CCO 34a_100011215244_100000747449 [0,1,0,0,0,1|1,0,1]=4 459 B17R1.27821 C=C(C)COc1ccc(cc1OC)CC(=O)C 34a_200000039568_100000748629 [0,1,0,0,0,1|1,0,1]=4 460 B17R1.27821 COc1cc(ccc1OCC(=O)N)CC(=O)C 34a_200000039568_100000187820 [0,1,0,0,0,1|1,0,1]=4 461 B17R1.27821 COc1cc(ccc1OCC(=O)[O-])CC(=O)C 34a_200000039568_100020667443 [0,1,0,0,0,1|1,0,1]=4 462 B17R1.1012 C=CCC(=O)c1ccc(c(c1)OC)OC(C)C 1458a_100000182801_100000210623 [0,2,0,0,0,0|1,0,1]=4 463 B17R1.1493 C/C=C/CNc1ccc(c(c1)OC)NC(=O)C 34a_100015186897_100102629194 [0,2,0,0,0,0|1,0,0]=3 464 B17R1.1493 C/C=C/CNc1ccc(c(c1)OC)NC(=O)C 7a_100015186897_100102629194 [0,2,0,0,0,0|1,0,0]=3 465 B17R1.1493 C/C=C/CSc1ccc(c(c1)OC)OC(C)C 62a_100012354883_100102629194 [0,2,0,0,0,0|1,0,1]=4 466 B17R1.1493 C/C=C/CSc1ccc(c(c1)OC)OC(C)C 62a_100102629194_100012354883 [0,2,0,0,0,0|1,0,1]=4 467 B17R1.1493 C=CCCNc1ccc(c(c1)OC)NC(=O)C 34a_100015186897_100000754431 [0,2,0,0,0,0|1,0,0]=3 468 B17R1.1493 C=CCCNc1ccc(c(c1)OC)NC(=O)C 7a_100015186897_100000754431 [0,2,0,0,0,0|1,0,0]=3 469 B17R1.1493 C=CCCSc1ccc(c(c1)OC)OC(C)C 62a_100000754431_100012354883 [0,2,0,0,0,0|1,0,1]=4 470 B17R1.1493 C=CCCSc1ccc(c(c1)OC)OC(C)C 62a_100012354883_100000754431 [0,2,0,0,0,0|1,0,1]=4 471 B17R1.1493 C=CCNCc1ccc(c(c1)OC)OC(=O)C 270004a_100020586998_100000189339 [0,2,0,0,0,0|0,0,0]=2 472 B17R1.1493 C=CCNCc1ccc(c(c1)OC)OC(C)C 2230a_100000738442_100000210623 [0,2,0,0,0,0|1,0,1]=4 473 B17R1.1493 C=CCNCc1ccc(c(c1)OC)OC(C)C 270004a_100020586998_100000169854 [0,2,0,0,0,0|1,0,1]=4 474 B17R1.1493 C=CCNCc1ccc(c(c1)OC)OC(C)C 34a_100000738442_100015514636 [0,2,0,0,0,0|1,0,1]=4 475 B17R1.1493 CC=CCNc1ccc(c(c1)OC)NC(=O)C 34a_100015186897_100000070051 [0,2,0,0,0,0|1,0,0]=3 476 B17R1.1493 CC=CCNc1ccc(c(c1)OC)NC(=O)C 7a_100015186897_100000070051 [0,2,0,0,0,0|1,0,0]=3 477 B17R1.1493 CC=CCSc1ccc(c(c1)OC)OC(C)C 62a_100000070051_100012354883 [0,2,0,0,0,0|1,0,1]=4 478 B17R1.1493 CC=CCSc1ccc(c(c1)OC)OC(C)C 62a_100012354883_100000070051 [0,2,0,0,0,0|1,0,1]=4 479 B17R1.1493 CCCNCc1ccc(c(c1)OC)OC(=O)C 207a_100020643023_100000189339 [0,2,0,0,0,0|0,0,2]=4 480 B17R1.1493 CCCNCc1ccc(c(c1)OC)OC(=O)C 270004a_100020643023_100000189339 [0,2,0,0,0,0|0,0,2]=4 481 B17R1.1493 COc1cc(ccc1OC(=O)C)CNCCO 207a_100000210304_100000189339 [0,2,0,0,0,0|0,0,2]=4 482 B17R1.1493 COc1cc(ccc1OC(=O)C)CNCCO 270004a_100000210304_100000189339 [0,2,0,0,0,0|0,0,2]=4 483 B17R1.5264 C=C(C)CNc1ccc(c(c1)OC)NC(=O)C 34a_100015186897_100000748629 [0,2,0,0,0,0|1,0,0]=3 484 B17R1.5264 C=C(C)CNc1ccc(c(c1)OC)NC(=O)C 7a_100015186897_100000748629 [0,2,0,0,0,0|1,0,0]=3 485 B17R1.5264 C=C(C)CSc1ccc(c(c1)OC)OC(C)C 62a_100000748629_100012354883 [0,2,0,0,0,0|1,0,1]=4 486 B17R1.5264 C=C(C)CSc1ccc(c(c1)OC)OC(C)C 62a_100012354883_100000211660 [0,2,0,0,0,0|1,0,1]=4 487 B17R1.5264 C=C(F)CNc1ccc(c(c1)OC)NC(=O)C 34a_100015186897_100009893438 [0,2,0,0,0,0|1,0,0]=3 488 B17R1.5264 C=C(F)CNc1ccc(c(c1)OC)NC(=O)C 7a_100015186897_100000042424 [0,2,0,0,0,0|1,0,0]=3 489 B17R1.5264 C=C(F)CSc1ccc(c(c1)OC)OC(C)C 62a_100000042424_100012354883 [0,2,0,0,0,0|1,0,1]=4 490 B17R1.5264 C=C(F)CSc1ccc(c(c1)OC)OC(C)C 62a_100012354883_100000042424 [0,2,0,0,0,0|1,0,1]=4 491 B17R1.5264 COc1cc(ccc1NC(=O)C)NCC(=O)N 34a_100015186897_100000187820 [0,2,0,0,0,0|2,0,0]=4 492 B17R1.5264 COc1cc(ccc1NC(=O)C)NCC(=O)N 7a_100015186897_100000187820 [0,2,0,0,0,0|2,0,0]=4 493 B17R1.5264 COc1cc(ccc1NC(=O)C)NCC(=O)[O-] 34a_100015186897_100020667443 [0,2,0,0,0,0|2,0,0]=4 494 B17R1.5264 COc1cc(ccc1OC(=O)C)CNC(C)C 207a_100138425928_100000189339 [0,2,0,0,0,0|0,0,2]=4 495 B17R1.5333 C=CC(=O)Nc1ccc(c(c1)OC)NC(=O)C 1626a_100015186897_100000185746 [0,2,0,0,0,0|1,0,1]=4 496 B17R1.5333 C=CC(=O)Nc1ccc(c(c1)OC)NC(=O)C 22a_100015186897_100000185746 [0,2,0,0,0,0|1,0,1]=4 497 B17R1.5333 C=CC(C)Sc1ccc(c(c1)OC)OC(C)C 62a_100011215867_100012354883 [0,2,0,0,0,0|1,0,1]=4 498 B17R1.8396 CCNCc1cc(c(c(c1)OC)OC(=O)C)Br 207a_100015525214_200000763639 [0,2,0,0,0,0|0,0,2]=4 499 B17R1.8396 CCNCc1cc(c(c(c1)OC)OC(=O)C)Br 270004a_100015525214_200000763639 [0,2,0,0,0,0|0,0,2]=4 500 B17R1.8396 CCNCc1cc(c(c(c1)OC)OC(=O)C)Cl 207a_100015525214_100000014685 [0,2,0,0,0,0|0,0,2]=4 501 B17R1.8396 CCNCc1cc(c(c(c1)OC)OC(=O)C)Cl 270004a_100015525214_100000014685 [0,2,0,0,0,0|0,0,2]=4 502 B17R1.8396 CCNCc1cc(c(c(c1)OC)OC(=O)C)I 207a_100015525214_200000014698 [0,2,0,0,0,0|0,0,2]=4 503 B17R1.8396 CCNCc1cc(c(c(c1)OC)OC(=O)C)I 270004a_100015525214_200000014698 [0,2,0,0,0,0|0,0,2]=4 504 B17R1.25932 C=CCNc1ccc(c(c1)OCC)NC(=O)C 34a_100000087593_100015514636 [0,2,0,0,0,0|1,0,0]=3 505 B17R1.25932 C=CCNc1ccc(c(c1)OCC)NC(=O)C 7a_100000087593_100015514636 [0,2,0,0,0,0|1,0,0]=3 506 B17R1.25932 CCNCc1ccc(c(c1)OCC)OC(=O)C 207a_100015525214_100000014720 [0,2,0,0,0,0|0,0,2]=4 507 B17R1.25932 CCNCc1ccc(c(c1)OCC)OC(=O)C 270004a_100015525214_100000014720 [0,2,0,0,0,0|0,0,2]=4 508 B17R1.25932 CCOc1cc(ccc1NC(=O)C)NCC=O 34a_100000087593_200009817547 [0,2,0,0,0,0|2,0,0]=4 509 B17R1.25932 CCOc1cc(ccc1NC(=O)C)NCC=O 7a_100000087593_200015260668 [0,2,0,0,0,0|2,0,0]=4 510 B17R1.25962 C=CCNc1ccc(c(c1)OC)NS(=O)(=O)C 34a_100000738021_100015514636 [0,2,0,0,0,0|2,0,0]=4 511 B17R1.25963 C=CCNc1ccc(c(c1)OC)NC(=O)CC 34a_100015187003_100015514636 [0,2,0,0,0,0|1,0,0]=3 512 B17R1.25963 C=CCNc1ccc(c(c1)OC)NC(=O)CC 7a_100015187003_100015514636 [0,2,0,0,0,0|1,0,0]=3 513 B17R1.25963 CCC(=O)Nc1ccc(cc1OC)NCC=O 34a_100015187003_200009817547 [0,2,0,0,0,0|2,0,0]=4 514 B17R1.25963 CCC(=O)Nc1ccc(cc1OC)NCC=O 7a_100015187003_200015260668 [0,2,0,0,0,0|2,0,0]=4 515 B17R1.134260 CCNCc1cc(c(cc1Br)OC(=O)C)OC 270004a_100015525214_100009814921 [0,2,0,0,0,0|0,0,2]=4 516 B17R1.485 COc1cc(cc(c1OC(=O)C)Br)CN(C)C 270004a_100102631434_200000763639 [0,2,0,0,0,0|1,0,1]=4 517 B17R1.485 COc1cc(cc(c1OC(=O)C)Cl)CN(C)C 270004a_100102631434_100000014685 [0,2,0,0,0,0|1,0,1]=4 518 B17R1.485 COc1cc(cc(c1OC(=O)C)I)CN(C)C 270004a_100102631434_200000014698 [0,2,0,0,0,0|1,0,1]=4 519 B17R1.36802 C=CCc1cc(c(c(c1)OC)OC(C)C)OC 34a_200000033544_100000210206 [0,2,0,0,0,0|1,0,1]=4 520 B17R1.36802 CNCc1cc(c(c(c1)OC)OC(=O)C)OC 207a_100102657272_100000262465 [0,2,0,0,0,0|1,0,1]=4 521 B17R1.36802 CNCc1cc(c(c(c1)OC)OC(=O)C)OC 270004a_106832991635_100000262465 [0,2,0,0,0,0|1,0,1]=4 522 B17R1.85391 CCOc1cc(cc(c1OC(=O)C)Br)CNC 207a_100102657272_200009812358 [0,2,0,0,0,0|1,0,1]=4 523 B17R1.85391 CCOc1cc(cc(c1OC(=O)C)Br)CNC 270004a_106832991635_200009812358 [0,2,0,0,0,0|1,0,1]=4 524 B17R1.85391 CCOc1cc(cc(c1OC(=O)C)Cl)CNC 207a_100102657272_200000015822 [0,2,0,0,0,0|1,0,1]=4 525 B17R1.85391 CCOc1cc(cc(c1OC(=O)C)Cl)CNC 270004a_106832991635_200000015822 [0,2,0,0,0,0|1,0,1]=4 526 B17R1.85391 CCOc1cc(cc(c1OC(=O)C)I)CNC 207a_100102657272_200000014723 [0,2,0,0,0,0|1,0,1]=4 527 B17R1.85391 CCOc1cc(cc(c1OC(=O)C)I)CNC 270004a_106832991635_200000014723 [0,2,0,0,0,0|1,0,1]=4 528 B17R1.17058 CCOc1cc(ccc1OC(=O)C)CN(C)C 270004a_100102631434_100000014720 [0,2,0,0,0,0|1,0,1]=4 529 B17R1.28736 COc1cc(c(cc1OC(=O)C)Br)CN(C)C 270004a_100102631434_100009814921 [0,2,0,0,0,0|1,0,1]=4 530 B17R1.18193 CCOc1cc(ccc1OC(=O)CC)CNC 270004a_106832991635_100000014687 [0,2,0,0,0,0|1,0,1]=4 531 B17R1.18289 CNCc1ccc(c(c1)OC(=O)C)OC(=O)C 270004a_106832991635_200000035387 [0,2,0,0,0,0|1,0,1]=4 532 B17R1.85465 CCOc1cc(c(cc1OC(=O)C)Br)CNC 270004a_106832991635_200000763636 [0,2,0,0,0,0|1,0,1]=4 533 B17R1.114194 C#CC(C)(C)Oc1ccc(cc1OC)CC=C 34a_100000181329_100000038118 [0,2,0,0,0,0|1,0,1]=4 534 B17R1.114194 C=CCc1ccc(c(c1)OC)OC(C)(C)C#N 34a_100000181329_100011162410 [0,2,0,0,0,0|1,0,1]=4 535 B17R1.18204 C=CCc1ccc(c(c1)OC)OC(C)CCC 34a_100000181329_100000766640 [0,2,0,0,0,0|1,0,1]=4 536 B17R1.18204 C=CCc1ccc(c(c1)OC)OC(C)CCO 34a_100000181329_100009893172 [0,2,0,0,0,0|0,0,2]=4 537 B17R1.18204 C=CCc1ccc(c(c1)OC)OC(C)COC 34a_100000181329_100000765312 [0,2,0,0,0,0|0,0,2]=4 538 B17R1.18209 C=CCc1ccc(c(c1)OC)OC(C=O)C=O 34a_100000181329_100000736813 [0,2,0,0,0,0|0,0,2]=4 539 B15R1.64 COc1cccc(c1)C=CCOC(=O)C 271570a_200000047263_100000170001 [0,0,1,1,0,0|0,0,2]=4 540 B15R1.64 COc1ccnc(c1)C=CCOC(=O)C 271570a_200000047263_100011216251 [0,0,1,1,0,0|1,0,1]=4 541 B15R1.1788 C=Cc1cc(c(cc1F)OC)OC(=O)C 271570a_100011290941_206258170532 [0,0,1,1,0,0|1,0,1]=4 542 B15R2.2311 C=Cc1ccc2c(c1)CCN2C(=O)C 271570a_100011290941_100000215927 [1,0,0,1,0,0|2,0,0]=4 543 B15R2.5255 C=Cc1ccc(c(c1)OC)OC2CC2 34a_100011217988_100000211595 [1,0,0,1,0,0|1,0,1]=4 544 B15R2.21314 C=Cc1ccc2c(c1)CCCC(=O)N2 271570a_100011290941_100000694693 [1,0,0,1,0,0|2,0,0]=4 545 B15R2.21314 C=Cc1ccc2c(c1)NCCC(=O)N2 271570a_100011290941_200012359944 [1,0,0,1,0,0|2,0,0]=4 546 B15R2.10252 C=C=Cc1ccc2c(c1)CCC(=O)O2 271570a_100015277604_100010179853 [1,0,0,1,0,0|0,0,2]=4 547 B15R2.10252 CC=Cc1ccc2c(c1)CCC(=O)O2 271570a_100016259895_100010179853 [1,0,0,1,0,0|0,0,2]=4 548 B15R2.2215 CC=Cc1cc2cc[nH]c2cc1OC 271570a_100016259895_100010245498 [1,0,0,1,0,0|2,0,0]=4 549 B15R2.1825 C=C(C)c1cc2cc[nH]c2cc1OC 271570a_100000694244_100010245498 [0,0,0,1,1,0|2,0,0]=4 550 B15R2.4521 COc1cc(ccc1C(=O)C)C2CC2 271570a_100011220607_100000709911 [0,0,0,1,1,0|0,0,2]=4 551 B15R2.6706 CC(=O)c1ccc2c(c1O[13CH3])CCC2 34a_100010635854_200025704644 [0,0,0,1,1,0|0,0,2]=4 552 B15R2.6706 CC(=O)c1ccc2c(c1O[13CH3])CCC2 7a_100010635854_200025704644 [0,0,0,1,1,0|0,0,2]=4 553 B15R2.6706 COc1c(ccc2c1CCC2)C(=O)C 34a_100010635854_200000210301 [0,0,0,1,1,0|0,0,2]=4 554 B15R2.6706 COc1c(ccc2c1CCC2)C(=O)C 7a_100010635854_200000210301 [0,0,0,1,1,0|0,0,2]=4 555 B15R2.54379 C=C=Cc1ccc2c(c1)OCCC2=O 271570a_100015277604_100000696939 [0,0,0,1,1,0|0,0,2]=4 556 B15R2.54379 CC=Cc1ccc2c(c1)OCCC2=O 271570a_100016259895_100000696939 [0,0,0,1,1,0|0,0,2]=4 557 B17R2.310524 C=CCc1ccc(c(c1)OC)OCC2CC2 34a_100000181329_100000742324 [0,0,0,1,0,1|1,0,1]=4 558 B17R2.310524 C=CCc1ccc(c(c1)OC)OCC2CO2 34a_100000181329_102125554688 [0,0,0,1,0,1|0,0,2]=4 559 B17R2.786 C=CCNc1ccc2c(c1)CCN2C(=O)C 2230a_100000229986_100000210623 [0,1,0,1,0,0|2,0,0]=4 560 B17R2.786 C=CCNc1ccc2c(c1)CCN2C(=O)C 34a_100000229986_100015514636 [0,1,0,1,0,0|2,0,0]=4 561 B17R2.786 C=CCNc1ccc2c(c1)CCN2C(=O)C 7a_100000229986_100015514636 [0,1,0,1,0,0|2,0,0]=4 562 B17R2.786 C=CCOc1ccc2c(c1)CCN2C(=O)C 34a_100000105182_100015514636 [0,1,0,1,0,0|2,0,0]=4 563 B17R2.786 C=CCOc1ccc2c(c1)CCN2C(=O)C 7a_100000105182_100015514636 [0,1,0,1,0,0|2,0,0]=4 564 B17R2.786 C=CCSc1ccc2c(c1)CCN2C(=O)C 62a_100000210623_100000215927 [0,1,0,1,0,0|2,0,0]=4 565 B17R2.786 C=CCSc1ccc2c(c1)CCN2C(=O)C 62a_100000215927_100000210623 [0,1,0,1,0,0|2,0,0]=4 566 B17R2.14947 CC(=O)Oc1ccc2ccccc2c1S[13CH3] 62a_200025704644_200103289829 [0,1,0,1,0,0|0,1,1]=4 567 B17R2.14947 COc1c(ccc2c1cccn2)NC(=O)C 11a_100009831023_100015343762 [0,1,0,1,0,0|1,0,1]=4 568 B17R2.14947 COc1c(ccc2c1cccn2)NC(=O)C 1626a_100009831023_100015343762 [0,1,0,1,0,0|1,0,1]=4 569 B17R2.14947 COc1c(ccc2c1cccn2)NC(=O)C 22a_100009831023_100000070787 [0,1,0,1,0,0|1,0,1]=4 570 B17R2.14947 COc1c(ccc2c1cccn2)NC(=O)C 527a_100009831023_100103153847 [0,1,0,1,0,0|1,0,1]=4 571 B17R2.14947 CSc1c(ccc2c1cccc2)OC(=O)C 62a_200000210301_200103289829 [0,1,0,1,0,0|0,1,1]=4 572 B17R2.153029 C=CCNc1ccc2c(c1)CCCC(=O)N2 34a_100000751821_100015514636 [0,1,0,1,0,0|2,0,0]=4 573 B17R2.153029 C=CCSc1ccc2c(c1)CCCC(=O)N2 62a_100000210623_100000694693 [0,1,0,1,0,0|2,0,0]=4 574 B17R2.153029 C=CCSc1ccc2c(c1)CCCC(=O)N2 62a_100000694693_100000210623 [0,1,0,1,0,0|2,0,0]=4 575 B17R2.153029 C=CCSc1ccc2c(c1)NCCC(=O)N2 62a_100000210623_200012359944 [0,1,0,1,0,0|2,0,0]=4 576 B17R2.333376 C=CCOc1ccc2oc(=O)cc(c2c1)C 34a_100000034621_100015514636 [0,1,0,1,0,0|1,0,1]=4 577 B17R2.333376 C=CCOc1ccc2oc(=O)cc(c2c1)C 7a_100000034621_100015514636 [0,1,0,1,0,0|1,0,1]=4 578 B17R2.310562 C=CCc1ccc(c(c1)OC)OC2CCC2 34a_100000181329_100000749161 [0,1,0,1,0,0|1,0,1]=4 579 B17R2.310562 C=CCc1ccc(c(c1)OC)OC2COC2 34a_100000181329_100009818527 [0,1,0,1,0,0|0,0,2]=4 580 B13R1.99 C=C(C)c1ccc(cc1OC)C=O 271570a_100000694244_100010244714 [1,0,0,0,1,0|2,0,0]=4 581 B13R1.99 C=C(C)c1ccc(cc1OC)CC 271570a_100000694244_200010710389 [1,0,0,0,1,0|1,0,1]=4 582 B13R1.99 C=C(C)c1ccc(cc1OC)CO 271570a_100000694244_100010234685 [1,0,0,0,1,0|2,0,0]=4 583 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)C 271570a_100011290941_100000709911 [1,0,0,0,1,0|0,0,0]=2 584 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)N 271570a_100011290941_100000748320 [1,0,0,0,1,0|1,0,0]=3 585 B13R1.99 C=Cc1cnc(c(c1)OC)C(=O)C 271570a_100011290941_100010137934 [1,0,0,0,1,0|1,0,0]=3 586 B13R1.99 COc1cc(ccc1C(=O)C)C#N 1458a_100012002740_200000210301 [1,0,0,0,1,0|1,0,1]=4 587 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 34a_100000116857_200025704644 [1,0,0,0,1,0|1,0,1]=4 588 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 7a_100000116857_200025704644 [1,0,0,0,1,0|1,0,1]=4 589 B13R1.99 COc1cc(ccc1C(=O)C)SC 1458a_100000211074_200000210301 [1,0,0,0,1,0|1,0,1]=4 590 B13R1.99 COc1cc(ccc1C(=O)C)SC 62a_100000709911_200000210301 [1,0,0,0,1,0|1,0,1]=4 591 B13R1.99 COc1cc(ccc1C(=O)C)S[13CH3] 62a_100000709911_200025704644 [1,0,0,0,1,0|1,0,1]=4 592 B13R1.99 COc1cc(ccc1C(=O)[13CH3])C#N 1458a_100012002740_200025704644 [1,0,0,0,1,0|1,0,1]=4 593 B13R1.99 COc1cc(ccc1C(=O)[13CH3])SC 1458a_100000211074_200025704644 [1,0,0,0,1,0|1,0,1]=4 594 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 1458a_100000210807_200000210301 [1,0,0,0,1,0|1,0,1]=4 595 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000116857_200000210301 [1,0,0,0,1,0|1,0,1]=4 596 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000185565_200000210301 [1,0,0,0,1,0|1,0,1]=4 597 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000116857_200000210301 [1,0,0,0,1,0|1,0,1]=4 598 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000185565_200000210301 [1,0,0,0,1,0|1,0,1]=4 599 B13R1.99 COc1ccc(c(c1)OC)C(=O)[13CH3] 1458a_100000210807_200025704644 [1,0,0,0,1,0|1,0,1]=4 600 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 34a_100000185565_200025704644 [1,0,0,0,1,0|1,0,1]=4 601 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 7a_100000185565_200025704644 [1,0,0,0,1,0|1,0,1]=4 602 B13R1.385 C=C=Cc1ccc(c(c1)C)C(=O)C 271570a_100015277604_100012360112 [1,0,0,0,1,0|0,0,2]=4 603 B13R1.385 C=C=Cc1ccc(c(c1)O)C(=O)C 271570a_100015277604_100000188348 [1,0,0,0,1,0|0,0,2]=4 604 B13R1.385 CC=Cc1ccc(c(c1)C)C(=O)C 271570a_100016259895_100012360112 [1,0,0,0,1,0|0,0,2]=4 605 B13R1.385 CC=Cc1ccc(c(c1)O)C(=O)C 271570a_100016259895_100000188348 [1,0,0,0,1,0|0,0,2]=4 606 B15R1.1904 C=C(C)COc1ccc(cc1OC)CC 34a_100000186467_100000748629 [1,0,0,0,0,1|1,0,1]=4 607 B15R1.1904 C=C(C)COc1ccc(cc1OC)CC 7a_100000186467_100000748629 [1,0,0,0,0,1|1,0,1]=4 608 B15R1.1904 C=C(C)COc1ccc(cc1OC)CN 34a_100000185554_100000748629 [1,0,0,0,0,1|2,0,0]=4 609 B15R1.1904 C=Cc1ccc(c(c1)OC)OCC(=C)C 34a_100011217988_100000748629 [1,0,0,0,0,1|1,0,0]=3 610 B15R1.1904 C=Cc1ccc(c(c1)OC)OCC(=C)F 34a_100011217988_100009893438 [1,0,0,0,0,1|1,0,1]=4 611 B15R1.1904 C=Cc1ccc(c(c1)OC)OCC(=O)N 34a_100011217988_100000187820 [1,0,0,0,0,1|1,0,0]=3 612 B15R1.1904 C=Cc1ccc(c(c1)OC)OCC(=O)[O-] 34a_100011217988_100020667443 [1,0,0,0,0,1|1,0,0]=3 613 B15R1.1904 C=Cc1ccc(c(c1)OC)OCC(C)C 34a_100011217988_100000210624 [1,0,0,0,0,1|1,0,1]=4 614 B15R1.1904 C=Cc1ccc(c(c1)OC)OCC(C)O 34a_100011217988_100011218427 [1,0,0,0,0,1|0,0,2]=4 615 B15R1.1904 C=Cc1ccc(c(c1)OC)OC[C@@H](C)O 34a_100011217988_100009817552 [1,0,0,0,0,1|0,0,2]=4 616 B15R1.1904 C=Cc1ccc(c(c1)OC)OC[N+](=O)[O-] 34a_100011217988_100000761209 [1,0,0,0,0,1|2,0,0]=4 617 B15R1.1904 CCc1ccc(c(c1)OC)OCC(=O)N 34a_100000186467_100000187820 [1,0,0,0,0,1|1,0,1]=4 618 B15R1.1904 CCc1ccc(c(c1)OC)OCC(=O)N 7a_100000186467_100000187820 [1,0,0,0,0,1|1,0,1]=4 619 B15R1.1904 CCc1ccc(c(c1)OC)OCC(=O)[O-] 34a_100000186467_100020667443 [1,0,0,0,0,1|1,0,1]=4 620 B15R1.1904 COc1cc(ccc1OCC(=O)N)CN 34a_100000185554_100000187820 [1,0,0,0,0,1|2,0,0]=4 621 B15R1.1904 COc1cc(ccc1OCC(=O)[O-])CN 34a_100000185554_100020667443 [1,0,0,0,0,1|2,0,0]=4 622 B15R1.9656 C=C=Cc1ccc(c(c1)OC(=O)C)OC 271570a_100015277604_200011016479 [0,0,0,0,1,1|0,0,2]=4 623 B15R1.9656 CC=Cc1ccc(c(c1)OC(=O)C)OC 271570a_100016259895_200011016479 [0,0,0,0,1,1|0,0,2]=4 624 B15R1.9656 CNCc1ccc(c(c1)OC(=O)C)OC 207a_100102657272_100000014717 [0,0,0,0,1,1|1,0,1]=4 625 B15R1.9656 CNCc1ccc(c(c1)OC(=O)C)OC 270004a_106832991635_100000014717 [0,0,0,0,1,1|1,0,1]=4 626 B17R1.18207 C=CCc1ccc(c(c1)OC)OCC=C(C)C 34a_100000181329_100000761012 [0,0,0,0,0,2|1,0,0]=3 627 B17R1.18207 C=CCc1ccc(c(c1)OC)OCCC(=C)C 34a_100000181329_100000730704 [0,0,0,0,0,2|1,0,0]=3 628 B17R1.18207 C=CCc1ccc(c(c1)OC)OCCC(=O)N 34a_100000181329_100000731001 [0,0,0,0,0,2|1,0,0]=3 629 B17R1.18207 C=CCc1ccc(c(c1)OC)OCCC(C)C 34a_100000181329_100000210312 [0,0,0,0,0,2|1,0,1]=4 630 B17R1.18207 C=CCc1ccc(c(c1)OC)OCCC(C)O 34a_100000181329_100012276601 [0,0,0,0,0,2|0,0,2]=4 631 B17R1.18207 C=CCc1ccc(c(c1)OC)OCOC(=O)C 34a_100000181329_100009813279 [0,0,0,0,0,2|0,0,0]=2 632 B17R1.18207 C=CCc1ccc(c(c1)OC)OCOC(C)C 34a_100000181329_100000709892 [0,0,0,0,0,2|1,0,1]=4 633 B17R1.18207 CC=Cc1ccc(c(c1)OC)OCOC(=O)C 34a_100015195088_100009813279 [0,0,0,0,0,2|0,0,2]=4 634 B17R1.18207 CCCc1ccc(c(c1)OC)OCCC(=O)C 7a_100000012292_100000053229 [0,0,0,0,0,2|0,0,2]=4 635 B17R1.18207 CCCc1ccc(c(c1)OC)OCOC(=O)C 34a_100000012292_100009813279 [0,0,0,0,0,2|0,0,2]=4 636 B17R1.18207 COc1cc(ccc1OCCC(=O)C)CCBr 7a_100010741665_100000053229 [0,0,0,0,0,2|1,0,1]=4 637 B17R1.18207 COc1cc(ccc1OCOC(=O)C)CC#N 34a_100000032377_100009813279 [0,0,0,0,0,2|1,0,1]=4 638 B17R1.18207 COc1cc(ccc1OCOC(=O)C)CCBr 34a_100010741665_100009813279 [0,0,0,0,0,2|1,0,1]=4 639 B17R1.18207 COc1cc(ccc1OCOC(=O)C)CCN 34a_100000756042_100009813279 [0,0,0,0,0,2|1,0,1]=4 640 B17R1.18207 COc1cc(ccc1OCOC(=O)C)CCO 34a_100011215244_100009813279 [0,0,0,0,0,2|1,0,1]=4 641 B17R1.18207 COc1cc(ccc1SCOC(=O)C)CC#N 62a_100000076356_100010176002 [0,0,0,0,0,2|1,0,1]=4 642 B17R1.18207 COc1cc(ccc1SCOC(=O)C)CC#N 62a_100010176002_100000076356 [0,0,0,0,0,2|1,0,1]=4