0 B14R1.161 C=C(C)C(=O)CCc1ccccc1O 1458a_100000185857_100000722297 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.161 CC(=O)C(=O)CNc1ccccc1Br 34a_100000210017_100011261029 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.161 CC(=O)C(=O)CNc1ccccc1C 34a_100015192222_100011261029 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.161 CC(=O)C(=O)CNc1ccccc1Cl 34a_100000185783_100011261029 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.161 CC(=O)C(=O)CNc1ccccc1F 34a_100000210422_100011261029 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.161 CC(=O)C(=O)CNc1ccccc1I 34a_100000210053_100011261029 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.161 CC(=O)C(=O)CNc1ccccc1O 34a_100000185747_100011261029 [0,0,0,0,0,0|2,0,1]=3 7 B14R1.161 CC(=O)C(=O)COc1ccccc1Br 34a_100000181306_100011261029 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.161 CC(=O)C(=O)COc1ccccc1C 34a_100000210338_100011261029 [0,0,0,0,0,0|3,0,1]=4 9 B14R1.161 CC(=O)C(=O)COc1ccccc1Cl 34a_100000210172_100011261029 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.161 CC(=O)C(=O)COc1ccccc1F 34a_100000210171_100011261029 [0,0,0,0,0,0|3,0,1]=4 11 B14R1.161 CC(=O)C(=O)COc1ccccc1I 34a_100000739446_100011261029 [0,0,0,0,0,0|3,0,1]=4 12 B14R1.161 CC(=O)C(=O)COc1ccccc1N 34a_100000185747_100011261029 [0,0,0,0,0,0|3,0,1]=4 13 B14R1.161 CC(=O)C(=O)CSc1ccccc1Br 62a_100000695589_100011261029 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.161 CC(=O)C(=O)CSc1ccccc1Br 62a_100011261029_100000695589 [0,0,0,0,0,0|3,0,1]=4 15 B14R1.161 CC(=O)C(=O)CSc1ccccc1C 62a_100000210755_100011261029 [0,0,0,0,0,0|3,0,1]=4 16 B14R1.161 CC(=O)C(=O)CSc1ccccc1C 62a_100011261029_100000210755 [0,0,0,0,0,0|3,0,1]=4 17 B14R1.161 CC(=O)C(=O)CSc1ccccc1Cl 62a_100000764095_100011261029 [0,0,0,0,0,0|3,0,1]=4 18 B14R1.161 CC(=O)C(=O)CSc1ccccc1Cl 62a_100011261029_100000764095 [0,0,0,0,0,0|3,0,1]=4 19 B14R1.161 CC(=O)C(=O)CSc1ccccc1F 62a_100011215700_100011261029 [0,0,0,0,0,0|3,0,1]=4 20 B14R1.161 CC(=O)C(=O)CSc1ccccc1F 62a_100011261029_100011215700 [0,0,0,0,0,0|3,0,1]=4 21 B14R1.161 CC(=O)C(=O)CSc1ccccc1N 62a_100000210017_100011261029 [0,0,0,0,0,0|3,0,1]=4 22 B14R1.161 CC(=O)C(=O)CSc1ccccc1N 62a_100011261029_100000210017 [0,0,0,0,0,0|3,0,1]=4 23 B14R1.161 CC(=O)C(=O)CSc1ccccc1O 62a_100000739446_100011261029 [0,0,0,0,0,0|2,0,1]=3 24 B14R1.161 CC(=O)C(=O)CSc1ccccc1O 62a_100011261029_100000739446 [0,0,0,0,0,0|2,0,1]=3 25 B14R1.161 CC(=O)C(=O)CSc1cccnc1O 62a_100000760158_100011261029 [0,0,0,0,0,0|3,0,1]=4 26 B14R1.161 CC(=O)C(=O)CSc1cccnc1O 62a_100011261029_100000760158 [0,0,0,0,0,0|3,0,1]=4 27 B14R1.161 CC(=O)C(=O)CSc1ccncc1O 62a_100009817591_100011261029 [0,0,0,0,0,0|3,0,1]=4 28 B14R1.161 CC(=O)C(=O)CSc1ccncc1O 62a_100011261029_100009817591 [0,0,0,0,0,0|3,0,1]=4 29 B14R1.161 CC(=O)C(=O)CSc1ncccc1O 62a_100000034122_100011261029 [0,0,0,0,0,0|3,0,1]=4 30 B14R1.161 CC(=O)C(=O)CSc1ncccc1O 62a_100011261029_100000034122 [0,0,0,0,0,0|3,0,1]=4 31 B14R1.161 CC(C)C(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210206 [0,0,0,0,0,0|3,0,1]=4 32 B14R1.161 CC(C)C(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210206 [0,0,0,0,0,0|3,0,1]=4 33 B14R1.161 CC(C)C(=O)C=Cc1ccccc1F 1458a_100016256065_100000210206 [0,0,0,0,0,0|3,0,1]=4 34 B14R1.161 CC(C)C(=O)C=Cc1ccccc1O 1458a_100016263591_100000210206 [0,0,0,0,0,0|2,0,1]=3 35 B14R1.161 CN(C)C(=O)C=Cc1ccccc1Br 11a_100102631434_100000719032 [0,0,0,0,0,0|4,0,0]=4 36 B14R1.161 CN(C)C(=O)C=Cc1ccccc1Br 1626a_100102631434_100000719032 [0,0,0,0,0,0|4,0,0]=4 37 B14R1.161 CN(C)C(=O)C=Cc1ccccc1Br 240690a_100102631434_100000719032 [0,0,0,0,0,0|4,0,0]=4 38 B14R1.161 CN(C)C(=O)C=Cc1ccccc1Cl 11a_100102631434_100000720304 [0,0,0,0,0,0|4,0,0]=4 39 B14R1.161 CN(C)C(=O)C=Cc1ccccc1Cl 1626a_100102631434_100000720304 [0,0,0,0,0,0|4,0,0]=4 40 B14R1.161 CN(C)C(=O)C=Cc1ccccc1Cl 240690a_100102631434_100000720304 [0,0,0,0,0,0|4,0,0]=4 41 B14R1.161 CN(C)C(=O)C=Cc1ccccc1F 11a_100102631434_100016256065 [0,0,0,0,0,0|4,0,0]=4 42 B14R1.161 CN(C)C(=O)C=Cc1ccccc1F 1626a_100102631434_100016256065 [0,0,0,0,0,0|4,0,0]=4 43 B14R1.161 CN(C)C(=O)C=Cc1ccccc1F 240690a_100102631434_100016256065 [0,0,0,0,0,0|4,0,0]=4 44 B14R1.161 C[C@@H](O)C(=O)CCc1ccccc1O 1458a_100000717761_100000722297 [0,0,0,0,0,0|1,0,3]=4 45 B14R1.161 C[C@@H](O)C(=O)NCc1ccccc1O 240690a_100000185550_100000717761 [0,0,0,0,0,0|2,0,2]=4 46 B14R1.161 C[C@H](O)C(=O)CCc1ccccc1O 1458a_217856618621_100000722297 [0,0,0,0,0,0|1,0,3]=4 47 B14R1.161 C[C@H](O)C(=O)NCc1ccccc1O 240690a_100000185550_217856618621 [0,0,0,0,0,0|2,0,2]=4 48 B14R1.161 Cc1ccccc1C=CC(=O)N(C)C 1626a_100102631434_100016266485 [0,0,0,0,0,0|4,0,0]=4 49 B14R1.161 Cc1ccccc1CNC(=O)C(=O)N 240690a_100000174972_100011215815 [0,0,0,0,0,0|3,0,1]=4 50 B14R1.161 Cc1ccccc1NNC(=O)C(=O)N 22a_100000184220_100011215815 [0,0,0,0,0,0|4,0,0]=4 51 B14R1.161 NC(=O)C(=O)NCc1ccccc1Br 240690a_100000689332_100011215815 [0,0,0,0,0,0|3,0,1]=4 52 B14R1.161 NC(=O)C(=O)NCc1ccccc1Cl 240690a_100000174879_100011215815 [0,0,0,0,0,0|3,0,1]=4 53 B14R1.161 NC(=O)C(=O)NCc1ccccc1F 240690a_100000174869_100011215815 [0,0,0,0,0,0|3,0,1]=4 54 B14R1.161 NC(=O)C(=O)NCc1ccccc1I 240690a_100015347259_100011215815 [0,0,0,0,0,0|3,0,1]=4 55 B14R1.161 NC(=O)C(=O)NCc1ccccc1O 240690a_100000185550_100011215815 [0,0,0,0,0,0|2,0,1]=3 56 B14R1.161 NC(=O)C(=O)NNc1ccccc1Br 22a_100000241748_100011215815 [0,0,0,0,0,0|4,0,0]=4 57 B14R1.161 NC(=O)C(=O)NNc1ccccc1Cl 22a_100000683529_100011215815 [0,0,0,0,0,0|4,0,0]=4 58 B14R1.161 NC(=O)C(=O)NNc1ccccc1F 22a_100000239246_100011215815 [0,0,0,0,0,0|4,0,0]=4 59 B14R1.161 NC(=O)C(=O)NNc1ccccc1I 22a_100011218156_100011215815 [0,0,0,0,0,0|4,0,0]=4 60 B14R1.161 O=C(CCc1ccccc1O)C(O)O 1458a_100000233687_100000722297 [0,0,0,0,0,0|0,0,4]=4 61 B14R1.161 O=C(NCc1ccccc1O)C(O)O 240690a_100000185550_100000233687 [0,0,0,0,0,0|1,0,3]=4 62 B13R1.158 CC(=O)NN=Cc1ccccc1O 4a_100000189765_100000185834 [1,0,0,0,0,0|3,0,0]=4 63 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [1,0,0,0,0,0|2,0,1]=4 64 B13R1.351 CC(=O)C(=O)COc1ccccc1 34a_100000210340_100011261029 [1,0,0,0,0,0|2,0,1]=4 65 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011261029 [1,0,0,0,0,0|2,0,1]=4 66 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100011261029_100000041952 [1,0,0,0,0,0|2,0,1]=4 67 B13R1.351 CC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000210206 [1,0,0,0,0,0|2,0,1]=4 68 B13R1.351 CN(C)C(=O)C=Cc1ccccc1 11a_100102631434_100000210462 [1,0,0,0,0,0|3,0,0]=4 69 B13R1.351 CN(C)C(=O)C=Cc1ccccc1 1626a_100102631434_100000210462 [1,0,0,0,0,0|3,0,0]=4 70 B13R1.351 NC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100011215815 [1,0,0,0,0,0|2,0,1]=4 71 B13R1.351 NC(=O)C(=O)NNc1ccccc1 22a_100015195140_100011215815 [1,0,0,0,0,0|3,0,0]=4 72 B13R1.528 C=CC(=O)CCc1ccccc1O 1458a_100000185746_100000722297 [1,0,0,0,0,0|1,0,2]=4 73 B13R1.528 C=CC(=O)NCc1ccccc1O 240690a_100000185550_200121576911 [1,0,0,0,0,0|2,0,1]=4 74 B13R1.528 CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210202 [1,0,0,0,0,0|2,0,1]=4 75 B13R1.528 CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210202 [1,0,0,0,0,0|2,0,1]=4 76 B13R1.528 CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210202 [1,0,0,0,0,0|2,0,1]=4 77 B13R1.528 CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210202 [1,0,0,0,0,0|1,0,1]=3 78 B13R1.528 CNC(=O)C=Cc1ccccc1Br 11a_106832991635_100000719032 [1,0,0,0,0,0|3,0,0]=4 79 B13R1.528 CNC(=O)C=Cc1ccccc1Br 1626a_100102657272_100000719032 [1,0,0,0,0,0|3,0,0]=4 80 B13R1.528 CNC(=O)C=Cc1ccccc1Br 240690a_100102657272_100000719032 [1,0,0,0,0,0|3,0,0]=4 81 B13R1.528 CNC(=O)C=Cc1ccccc1C 1626a_100102657272_100016266485 [1,0,0,0,0,0|3,0,0]=4 82 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 11a_106832991635_100000720304 [1,0,0,0,0,0|3,0,0]=4 83 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 1626a_100102657272_100000720304 [1,0,0,0,0,0|3,0,0]=4 84 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 240690a_100102657272_100000720304 [1,0,0,0,0,0|3,0,0]=4 85 B13R1.528 CNC(=O)C=Cc1ccccc1F 11a_106832991635_100016256065 [1,0,0,0,0,0|3,0,0]=4 86 B13R1.528 CNC(=O)C=Cc1ccccc1F 1626a_100102657272_100016256065 [1,0,0,0,0,0|3,0,0]=4 87 B13R1.528 CNC(=O)C=Cc1ccccc1F 240690a_100102657272_100016256065 [1,0,0,0,0,0|3,0,0]=4 88 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [1,0,0,0,0,0|2,0,0]=3 89 B13R1.528 O=C(C=Cc1ccccc1Br)CF 1458a_100000719032_100015361967 [1,0,0,0,0,0|2,0,1]=4 90 B13R1.528 O=C(C=Cc1ccccc1Cl)CF 1458a_100000720304_100015361967 [1,0,0,0,0,0|2,0,1]=4 91 B13R1.528 O=C(C=Cc1ccccc1F)CF 1458a_100016256065_100015361967 [1,0,0,0,0,0|2,0,1]=4 92 B13R1.528 O=C(C=Cc1ccccc1O)CF 1458a_100016263591_100015361967 [1,0,0,0,0,0|1,0,1]=3 93 B13R1.528 O=C(CO)CCc1ccccc1O 1458a_100000210174_100000722297 [1,0,0,0,0,0|0,0,3]=4 94 B13R1.528 O=C(CO)NCc1ccccc1O 240690a_100000185550_100000210174 [1,0,0,0,0,0|1,0,2]=4 95 B13R1.528 O=C(CO)NCc1ccccc1O 527a_100000185550_100000210174 [1,0,0,0,0,0|1,0,2]=4 96 B15R1.87 CC(=O)C(=O)CNc1ccccc1CO 34a_100000212039_100011261029 [0,1,0,0,0,0|2,0,1]=4 97 B15R1.87 CC(=O)C(=O)COc1ccccc1CO 34a_100011216872_100011261029 [0,1,0,0,0,0|2,0,1]=4 98 B15R1.87 CC(=O)C(=O)CSc1ccccc1CO 62a_100000187465_100011261029 [0,1,0,0,0,0|2,0,1]=4 99 B15R1.87 CC(=O)C(=O)CSc1ccccc1CO 62a_100011261029_100000187465 [0,1,0,0,0,0|2,0,1]=4 100 B15R1.87 COc1ccccc1C=CC(=O)C(C)C 1458a_100000182468_100000210206 [0,1,0,0,0,0|2,0,1]=4 101 B15R1.87 COc1ccccc1C=CC(=O)N(C)C 11a_100102631434_100000182468 [0,1,0,0,0,0|3,0,0]=4 102 B15R1.87 COc1ccccc1C=CC(=O)N(C)C 1626a_100102631434_100000182468 [0,1,0,0,0,0|3,0,0]=4 103 B15R1.87 COc1ccccc1CNC(=O)C(=O)N 240690a_100000188900_100011215815 [0,1,0,0,0,0|2,0,1]=4 104 B15R1.87 COc1ccccc1NCC(=O)C(=O)C 34a_100000210025_100011261029 [0,1,0,0,0,0|2,0,1]=4 105 B15R1.87 COc1ccccc1NNC(=O)C(=O)N 22a_100000751209_100011215815 [0,1,0,0,0,0|3,0,0]=4 106 B15R1.87 COc1ccccc1OCC(=O)C(=O)C 34a_100000210385_100011261029 [0,1,0,0,0,0|2,0,1]=4 107 B15R1.87 COc1ccccc1SCC(=O)C(=O)C 62a_100000210334_100011261029 [0,1,0,0,0,0|2,0,1]=4 108 B15R1.87 COc1ccccc1SCC(=O)C(=O)C 62a_100011261029_100000210334 [0,1,0,0,0,0|2,0,1]=4 109 B15R1.87 NC(=O)C(=O)NCc1ccccc1CO 240690a_100000743596_100011215815 [0,1,0,0,0,0|2,0,1]=4 110 B15R1.363 CN(Cc1ccccc1O)C(=O)C(=O)N 240690a_100015189988_100011215815 [0,1,0,0,0,0|2,0,1]=4 111 B15R1.1323 C#CC(C)C(=O)C=Cc1ccccc1O 1458a_100016263591_200000035995 [0,1,0,0,0,0|2,0,1]=4 112 B15R1.1323 C=C(CNc1ccccc1O)C(=O)OC 34a_100000185747_100009813391 [0,1,0,0,0,0|2,0,1]=4 113 B15R1.1323 C=C(CSc1ccccc1O)C(=O)OC 62a_100000739446_100009813391 [0,1,0,0,0,0|2,0,1]=4 114 B15R1.1323 C=C(CSc1ccccc1O)C(=O)OC 62a_100009813391_100000739446 [0,1,0,0,0,0|2,0,1]=4 115 B15R1.1323 CC(C#N)C(=O)C=Cc1ccccc1O 1458a_100016263591_100000703298 [0,1,0,0,0,0|2,0,1]=4 116 B15R1.1323 CCC(C)C(=O)C=Cc1ccccc1O 1458a_100016263591_100000758301 [0,1,0,0,0,0|2,0,1]=4 117 B15R1.1323 CNC(=O)C(=O)CCc1ccccc1O 1458a_100011218921_100000722297 [0,1,0,0,0,0|1,0,2]=4 118 B15R1.1323 CNC(=O)C(=O)NCc1ccccc1O 240690a_100000185550_100011218921 [0,1,0,0,0,0|2,0,1]=4 119 B15R1.1323 CNC(=O)C(=O)NCc1ccccc1O 527a_100000185550_100011218921 [0,1,0,0,0,0|2,0,1]=4 120 B15R1.1323 COC(=O)C(=O)CNc1ccccc1Br 34a_100000210017_100011610305 [0,1,0,0,0,0|2,0,1]=4 121 B15R1.1323 COC(=O)C(=O)CNc1ccccc1C 34a_100015192222_100011610305 [0,1,0,0,0,0|2,0,1]=4 122 B15R1.1323 COC(=O)C(=O)CNc1ccccc1Cl 34a_100000185783_100011610305 [0,1,0,0,0,0|2,0,1]=4 123 B15R1.1323 COC(=O)C(=O)CNc1ccccc1F 34a_100000210422_100011610305 [0,1,0,0,0,0|2,0,1]=4 124 B15R1.1323 COC(=O)C(=O)CNc1ccccc1I 34a_100000210053_100011610305 [0,1,0,0,0,0|2,0,1]=4 125 B15R1.1323 COC(=O)C(=O)CNc1ccccc1O 34a_100000185747_100011610305 [0,1,0,0,0,0|1,0,1]=3 126 B15R1.1323 COC(=O)C(=O)COc1ccccc1Br 34a_100000181306_100011610305 [0,1,0,0,0,0|2,0,1]=4 127 B15R1.1323 COC(=O)C(=O)COc1ccccc1C 34a_100000210338_100011610305 [0,1,0,0,0,0|2,0,1]=4 128 B15R1.1323 COC(=O)C(=O)COc1ccccc1Cl 34a_100000210172_100011610305 [0,1,0,0,0,0|2,0,1]=4 129 B15R1.1323 COC(=O)C(=O)COc1ccccc1F 34a_100000210171_100011610305 [0,1,0,0,0,0|2,0,1]=4 130 B15R1.1323 COC(=O)C(=O)COc1ccccc1I 34a_100000739446_100011610305 [0,1,0,0,0,0|2,0,1]=4 131 B15R1.1323 COC(=O)C(=O)COc1ccccc1N 34a_100000185747_100011610305 [0,1,0,0,0,0|2,0,1]=4 132 B15R1.1323 COC(=O)C(=O)CSc1ccccc1Br 62a_100000695589_100011610305 [0,1,0,0,0,0|2,0,1]=4 133 B15R1.1323 COC(=O)C(=O)CSc1ccccc1Br 62a_100011610305_100000695589 [0,1,0,0,0,0|2,0,1]=4 134 B15R1.1323 COC(=O)C(=O)CSc1ccccc1C 62a_100000210755_100011610305 [0,1,0,0,0,0|2,0,1]=4 135 B15R1.1323 COC(=O)C(=O)CSc1ccccc1C 62a_100011610305_100000210755 [0,1,0,0,0,0|2,0,1]=4 136 B15R1.1323 COC(=O)C(=O)CSc1ccccc1Cl 62a_100000764095_100011610305 [0,1,0,0,0,0|2,0,1]=4 137 B15R1.1323 COC(=O)C(=O)CSc1ccccc1Cl 62a_100011610305_100000764095 [0,1,0,0,0,0|2,0,1]=4 138 B15R1.1323 COC(=O)C(=O)CSc1ccccc1F 62a_100011215700_100011610305 [0,1,0,0,0,0|2,0,1]=4 139 B15R1.1323 COC(=O)C(=O)CSc1ccccc1F 62a_100011610305_100011215700 [0,1,0,0,0,0|2,0,1]=4 140 B15R1.1323 COC(=O)C(=O)CSc1ccccc1N 62a_100000210017_100011610305 [0,1,0,0,0,0|2,0,1]=4 141 B15R1.1323 COC(=O)C(=O)CSc1ccccc1N 62a_100011610305_100000210017 [0,1,0,0,0,0|2,0,1]=4 142 B15R1.1323 COC(=O)C(=O)CSc1ccccc1O 62a_100000739446_100011610305 [0,1,0,0,0,0|1,0,1]=3 143 B15R1.1323 COC(=O)C(=O)CSc1ccccc1O 62a_100011610305_100000739446 [0,1,0,0,0,0|1,0,1]=3 144 B15R1.1323 COC(=O)C(=O)CSc1cccnc1O 62a_100000760158_100011610305 [0,1,0,0,0,0|2,0,1]=4 145 B15R1.1323 COC(=O)C(=O)CSc1cccnc1O 62a_100011610305_100000760158 [0,1,0,0,0,0|2,0,1]=4 146 B15R1.1323 COC(=O)C(=O)CSc1ccncc1O 62a_100009817591_100011610305 [0,1,0,0,0,0|2,0,1]=4 147 B15R1.1323 COC(=O)C(=O)CSc1ccncc1O 62a_100011610305_100009817591 [0,1,0,0,0,0|2,0,1]=4 148 B15R1.1323 COC(=O)C(=O)CSc1ncccc1O 62a_100000034122_100011610305 [0,1,0,0,0,0|2,0,1]=4 149 B15R1.1323 COC(=O)C(=O)CSc1ncccc1O 62a_100011610305_100000034122 [0,1,0,0,0,0|2,0,1]=4 150 B15R1.1323 COC(=O)C(=O)NCc1ccccc1Br 11a_100000689332_100000024059 [0,1,0,0,0,0|2,0,1]=4 151 B15R1.1323 COC(=O)C(=O)NCc1ccccc1Br 1626a_100000689332_100000024059 [0,1,0,0,0,0|2,0,1]=4 152 B15R1.1323 COC(=O)C(=O)NCc1ccccc1Br 240690a_100000689332_100000024059 [0,1,0,0,0,0|2,0,1]=4 153 B15R1.1323 COC(=O)C(=O)NCc1ccccc1Br 527a_100000689332_100000024059 [0,1,0,0,0,0|2,0,1]=4 154 B15R1.1323 COC(=O)C(=O)NCc1ccccc1C 11a_100000174972_100000024059 [0,1,0,0,0,0|2,0,1]=4 155 B15R1.1323 COC(=O)C(=O)NCc1ccccc1C 1626a_100000174972_100000024059 [0,1,0,0,0,0|2,0,1]=4 156 B15R1.1323 COC(=O)C(=O)NCc1ccccc1C 240690a_100000174972_100000024059 [0,1,0,0,0,0|2,0,1]=4 157 B15R1.1323 COC(=O)C(=O)NCc1ccccc1C 527a_100000174972_100000024059 [0,1,0,0,0,0|2,0,1]=4 158 B15R1.1323 COC(=O)C(=O)NCc1ccccc1Cl 11a_100000174879_100000024059 [0,1,0,0,0,0|2,0,1]=4 159 B15R1.1323 COC(=O)C(=O)NCc1ccccc1Cl 1626a_100000174879_100000024059 [0,1,0,0,0,0|2,0,1]=4 160 B15R1.1323 COC(=O)C(=O)NCc1ccccc1Cl 240690a_100000174879_100000024059 [0,1,0,0,0,0|2,0,1]=4 161 B15R1.1323 COC(=O)C(=O)NCc1ccccc1Cl 527a_100000174879_100000024059 [0,1,0,0,0,0|2,0,1]=4 162 B15R1.1323 COC(=O)C(=O)NCc1ccccc1F 11a_100000174869_100000024059 [0,1,0,0,0,0|2,0,1]=4 163 B15R1.1323 COC(=O)C(=O)NCc1ccccc1F 1626a_100000174869_100000024059 [0,1,0,0,0,0|2,0,1]=4 164 B15R1.1323 COC(=O)C(=O)NCc1ccccc1F 240690a_100000174869_100000024059 [0,1,0,0,0,0|2,0,1]=4 165 B15R1.1323 COC(=O)C(=O)NCc1ccccc1F 527a_100000174869_100000024059 [0,1,0,0,0,0|2,0,1]=4 166 B15R1.1323 COC(=O)C(=O)NCc1ccccc1I 11a_100015347259_100000024059 [0,1,0,0,0,0|2,0,1]=4 167 B15R1.1323 COC(=O)C(=O)NCc1ccccc1I 1626a_100015347259_100000024059 [0,1,0,0,0,0|2,0,1]=4 168 B15R1.1323 COC(=O)C(=O)NCc1ccccc1I 240690a_100015347259_100000024059 [0,1,0,0,0,0|2,0,1]=4 169 B15R1.1323 COC(=O)C(=O)NCc1ccccc1I 527a_100015347259_100000024059 [0,1,0,0,0,0|2,0,1]=4 170 B15R1.1323 COC(=O)C(=O)NCc1ccccc1O 240690a_100000185550_100000024059 [0,1,0,0,0,0|1,0,1]=3 171 B15R1.1323 COC(=O)C(=O)NCc1ccccc1O 527a_100000185550_100000024059 [0,1,0,0,0,0|1,0,1]=3 172 B15R1.5793 C=C(C)C(=O)CC(=O)c1ccccc1O 1458a_100000185857_100000188908 [0,1,0,0,0,0|2,0,1]=4 173 B15R1.5793 CC(=O)C(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100011261029 [0,1,0,0,0,0|2,0,1]=4 174 B15R1.5793 CC(=O)C(=O)CC(=O)c1ccccc1C 1458a_100000212026_100011261029 [0,1,0,0,0,0|2,0,1]=4 175 B15R1.5793 CC(=O)C(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100011261029 [0,1,0,0,0,0|2,0,1]=4 176 B15R1.5793 CC(=O)C(=O)CC(=O)c1ccccc1F 1458a_100000188656_100011261029 [0,1,0,0,0,0|2,0,1]=4 177 B15R1.5793 CC(=O)C(=O)CC(=O)c1ccccc1I 1458a_100000187884_100011261029 [0,1,0,0,0,0|2,0,1]=4 178 B15R1.5793 CC(=O)C(=O)CC(=O)c1ccccc1O 1458a_100015234032_100011261029 [0,1,0,0,0,0|1,0,1]=3 179 B15R1.5793 CC(=O)C(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100011261029 [0,1,0,0,0,0|1,0,2]=4 180 B15R1.5793 CC(=O)C(=O)CN(C)c1ccccc1O 269982a_100000033821_100011261029 [0,1,0,0,0,0|2,0,1]=4 181 B15R1.5793 C[C@@H](NC(=O)C(=O)N)c1ccccc1O 240690a_100025703389_100011215815 [0,1,0,0,0,0|2,0,1]=4 182 B15R1.5793 C[C@@H](O)C(=O)CC(=O)c1ccccc1O 1458a_100000717761_100000188908 [0,1,0,0,0,0|1,0,2]=4 183 B15R1.5793 C[C@H](O)C(=O)CC(=O)c1ccccc1O 1458a_217856618621_100000188908 [0,1,0,0,0,0|1,0,2]=4 184 B15R1.5793 O=C(CC(=O)C(O)O)c1ccccc1O 1458a_100000233687_100000188908 [0,1,0,0,0,0|0,0,3]=4 185 B15R1.5823 CC(=O)C(=O)CNc1ccc(cc1O)Br 34a_100000739049_100011261029 [0,1,0,0,0,0|2,0,1]=4 186 B15R1.5823 CC(=O)C(=O)CNc1ccc(cc1O)C 34a_100000211527_100011261029 [0,1,0,0,0,0|2,0,1]=4 187 B15R1.5823 CC(=O)C(=O)CNc1ccc(cc1O)Cl 34a_100000185728_100011261029 [0,1,0,0,0,0|2,0,1]=4 188 B15R1.5823 CC(=O)C(=O)CNc1ccc(cc1O)F 34a_100000753323_100011261029 [0,1,0,0,0,0|2,0,1]=4 189 B15R1.5823 CC(=O)C(=O)CNc1ccc(cc1O)O 34a_100000106777_100011261029 [0,1,0,0,0,0|2,0,1]=4 190 B15R1.5823 CC(=O)C(=O)CSc1ccc(cc1O)Br 62a_100011261029_100012344904 [0,1,0,0,0,0|2,0,1]=4 191 B15R1.5823 CC(=O)C(=O)CSc1ccc(cc1O)Br 62a_100012344904_100011261029 [0,1,0,0,0,0|2,0,1]=4 192 B15R1.5823 CC(=O)C(=O)CSc1ccc(cc1O)C 62a_100011261029_100012002257 [0,1,0,0,0,0|2,0,1]=4 193 B15R1.5823 CC(=O)C(=O)CSc1ccc(cc1O)C 62a_100012002257_100011261029 [0,1,0,0,0,0|2,0,1]=4 194 B15R1.5823 CC(=O)C(=O)CSc1ccc(cc1O)Cl 62a_100000050036_100011261029 [0,1,0,0,0,0|2,0,1]=4 195 B15R1.5823 CC(=O)C(=O)CSc1ccc(cc1O)Cl 62a_100011261029_100000050036 [0,1,0,0,0,0|2,0,1]=4 196 B15R1.5823 CC(=O)C(=O)CSc1ccc(cc1O)F 62a_100000690578_100011261029 [0,1,0,0,0,0|2,0,1]=4 197 B15R1.5823 CC(=O)C(=O)CSc1ccc(cc1O)F 62a_100011261029_100000690578 [0,1,0,0,0,0|2,0,1]=4 198 B15R1.5823 CC(=O)C(=O)CSc1ccc(cc1O)O 62a_100011261029_100009813921 [0,1,0,0,0,0|2,0,1]=4 199 B15R1.6616 CC(=O)C(=O)CNc1c(cccc1Br)O 34a_100011934926_100011261029 [0,1,0,0,0,0|2,0,1]=4 200 B15R1.6616 CC(=O)C(=O)CNc1c(cccc1Cl)O 34a_100012022510_100011261029 [0,1,0,0,0,0|2,0,1]=4 201 B15R1.6616 CC(=O)C(=O)CNc1c(cccc1F)O 34a_100020591140_100011261029 [0,1,0,0,0,0|2,0,1]=4 202 B15R1.6616 CC(=O)C(=O)CNc1c(cccc1O)C 34a_100000743429_100011261029 [0,1,0,0,0,0|2,0,1]=4 203 B15R1.6616 CC(=O)C(=O)CSc1c(cccc1Br)O 62a_100010187912_100011261029 [0,1,0,0,0,0|2,0,1]=4 204 B15R1.6616 CC(=O)C(=O)CSc1c(cccc1Br)O 62a_100011261029_100010187912 [0,1,0,0,0,0|2,0,1]=4 205 B15R1.6616 CC(=O)C(=O)CSc1c(cccc1Cl)O 62a_100011261029_100000050174 [0,1,0,0,0,0|2,0,1]=4 206 B15R1.6616 CC(=O)C(=O)CSc1c(cccc1F)O 62a_100009820682_100011261029 [0,1,0,0,0,0|2,0,1]=4 207 B15R1.6616 CC(=O)C(=O)CSc1c(cccc1F)O 62a_100011261029_100009820682 [0,1,0,0,0,0|2,0,1]=4 208 B15R1.6616 CC(=O)C(=O)CSc1c(cccc1O)C 62a_100000686692_100011261029 [0,1,0,0,0,0|2,0,1]=4 209 B15R1.6616 CC(=O)C(=O)CSc1c(cccc1O)C 62a_100011261029_100000686692 [0,1,0,0,0,0|2,0,1]=4 210 B15R1.6616 CC(=O)C(=O)CSc1c(cccc1O)N 62a_100011261029_100012183704 [0,1,0,0,0,0|2,0,1]=4 211 B15R1.6616 CC(=O)C(=O)CSc1c(cccc1O)N 62a_100012183704_100011261029 [0,1,0,0,0,0|2,0,1]=4 212 B15R1.6616 CC(=O)C(=O)CSc1c(cccc1O)O 62a_100011261029_100010205330 [0,1,0,0,0,0|2,0,1]=4 213 B15R1.6638 O=C(C=Cc1ccccc1O)C(F)(F)F 1458a_100016263591_200000243211 [0,1,0,0,0,0|2,0,1]=4 214 B15R1.8275 CC(=O)C(=O)CNc1cccc(c1O)Br 34a_100011934915_100011261029 [0,1,0,0,0,0|2,0,1]=4 215 B15R1.8275 CC(=O)C(=O)CNc1cccc(c1O)C 34a_100000756359_100011261029 [0,1,0,0,0,0|2,0,1]=4 216 B15R1.8275 CC(=O)C(=O)CNc1cccc(c1O)Cl 34a_100000754742_100011261029 [0,1,0,0,0,0|2,0,1]=4 217 B15R1.8275 CC(=O)C(=O)CNc1cccc(c1O)F 34a_100011934987_100011261029 [0,1,0,0,0,0|2,0,1]=4 218 B15R1.8275 CC(=O)C(=O)CSc1cccc(c1O)Br 62a_100010084509_100011261029 [0,1,0,0,0,0|2,0,1]=4 219 B15R1.8275 CC(=O)C(=O)CSc1cccc(c1O)Br 62a_100011261029_100010084509 [0,1,0,0,0,0|2,0,1]=4 220 B15R1.8275 CC(=O)C(=O)CSc1cccc(c1O)C 62a_100009817157_100011261029 [0,1,0,0,0,0|2,0,1]=4 221 B15R1.8275 CC(=O)C(=O)CSc1cccc(c1O)C 62a_100011261029_100009817157 [0,1,0,0,0,0|2,0,1]=4 222 B15R1.8275 CC(=O)C(=O)CSc1cccc(c1O)Cl 62a_100010202889_100011261029 [0,1,0,0,0,0|2,0,1]=4 223 B15R1.8275 CC(=O)C(=O)CSc1cccc(c1O)Cl 62a_100011261029_100010202889 [0,1,0,0,0,0|2,0,1]=4 224 B15R1.8275 CC(=O)C(=O)CSc1cccc(c1O)F 62a_100009813666_100011261029 [0,1,0,0,0,0|2,0,1]=4 225 B15R1.8275 CC(=O)C(=O)CSc1cccc(c1O)F 62a_100011261029_100009813666 [0,1,0,0,0,0|2,0,1]=4 226 B15R1.8275 CC(=O)C(=O)CSc1cccc(c1O)N 62a_100011261029_100010084371 [0,1,0,0,0,0|2,0,1]=4 227 B15R1.8275 CC(=O)C(=O)CSc1cccc(c1O)N 62a_100011934915_100011261029 [0,1,0,0,0,0|2,0,1]=4 228 B15R1.8275 CC(=O)C(=O)CSc1cccc(c1O)O 62a_100011261029_100009815950 [0,1,0,0,0,0|2,0,1]=4 229 B15R1.8275 Cc1cccc(c1O)CNC(=O)C(=O)N 240690a_100020639391_100011215815 [0,1,0,0,0,0|2,0,1]=4 230 B15R1.8422 CC(=O)C(=O)CNc1cc(ccc1O)Br 34a_100000752626_100011261029 [0,1,0,0,0,0|2,0,1]=4 231 B15R1.8422 CC(=O)C(=O)CNc1cc(ccc1O)C 34a_100011215204_100011261029 [0,1,0,0,0,0|2,0,1]=4 232 B15R1.8422 CC(=O)C(=O)CNc1cc(ccc1O)Cl 34a_100000210500_100011261029 [0,1,0,0,0,0|2,0,1]=4 233 B15R1.8422 CC(=O)C(=O)CNc1cc(ccc1O)F 34a_100000759472_100011261029 [0,1,0,0,0,0|2,0,1]=4 234 B15R1.8422 CC(=O)C(=O)CSc1cc(ccc1O)Br 62a_100011261029_100012355227 [0,1,0,0,0,0|2,0,1]=4 235 B15R1.8422 CC(=O)C(=O)CSc1cc(ccc1O)Br 62a_100012355227_100011261029 [0,1,0,0,0,0|2,0,1]=4 236 B15R1.8422 CC(=O)C(=O)CSc1cc(ccc1O)C 62a_100000765521_100011261029 [0,1,0,0,0,0|2,0,1]=4 237 B15R1.8422 CC(=O)C(=O)CSc1cc(ccc1O)C 62a_100011261029_100000765521 [0,1,0,0,0,0|2,0,1]=4 238 B15R1.8422 CC(=O)C(=O)CSc1cc(ccc1O)Cl 62a_100011261029_100011356953 [0,1,0,0,0,0|2,0,1]=4 239 B15R1.8422 CC(=O)C(=O)CSc1cc(ccc1O)Cl 62a_100011356953_100011261029 [0,1,0,0,0,0|2,0,1]=4 240 B15R1.8422 CC(=O)C(=O)CSc1cc(ccc1O)F 62a_100000211999_100011261029 [0,1,0,0,0,0|2,0,1]=4 241 B15R1.8422 CC(=O)C(=O)CSc1cc(ccc1O)F 62a_100011261029_100000211999 [0,1,0,0,0,0|2,0,1]=4 242 B15R1.8422 CC(=O)C(=O)CSc1cc(ccc1O)N 62a_100011261029_100011534360 [0,1,0,0,0,0|2,0,1]=4 243 B15R1.8422 CC(=O)C(=O)CSc1cc(ccc1O)N 62a_100011534360_100011261029 [0,1,0,0,0,0|2,0,1]=4 244 B15R1.8422 CC(=O)C(=O)CSc1cc(ccc1O)O 62a_100011261029_100009813629 [0,1,0,0,0,0|2,0,1]=4 245 B15R1.8422 NC(=O)C(=O)NCc1cc(ccc1O)Br 240690a_100000730032_100011215815 [0,1,0,0,0,0|2,0,1]=4 246 B15R1.8422 NC(=O)C(=O)NCc1cc(ccc1O)Cl 240690a_100000238540_100011215815 [0,1,0,0,0,0|2,0,1]=4 247 B15R2.554 Cc1cc(sc1C)c2ccccc2O 271570a_100000035170_100009850898 [0,0,0,1,0,0|2,1,0]=4 248 B15R2.554 Cc1cc(sc1Cl)c2ccccc2O 271570a_202125692827_100000739446 [0,0,0,1,0,0|2,1,0]=4 249 B15R2.4244 CC(=C(C)c1cc2ccccc2o1)C 271570a_200000049429_100010159458 [0,0,0,1,0,0|3,0,0]=4 250 B15R2.13598 C=C(C)c1ccc2c(cccc2c1)O 271570a_100000694244_100010202202 [0,0,0,1,0,0|3,0,0]=4 251 B15R2.13598 CC(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_200000210301 [0,0,0,1,0,0|3,0,0]=4 252 B15R2.13598 CC(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_200000210301 [0,0,0,1,0,0|3,0,0]=4 253 B15R2.13598 [13CH3]C(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_200025704644 [0,0,0,1,0,0|3,0,0]=4 254 B15R2.13598 [13CH3]C(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_200025704644 [0,0,0,1,0,0|3,0,0]=4 255 B13R1.202 C=C(C)C(=O)Nc1ccccc1O 22a_100000185747_100000185857 [0,0,0,0,1,0|3,0,0]=4 256 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1O 22a_100000185747_100000039160 [0,0,0,0,1,0|3,0,0]=4 257 B13R1.202 C=C(F)C(=O)Nc1ccccc1O 22a_100000185747_100000036797 [0,0,0,0,1,0|3,0,0]=4 258 B13R1.202 CC(=Cc1ccccc1Cl)C(=O)[13CH3] 1458a_100000693296_200025704644 [0,0,0,0,1,0|3,0,0]=4 259 B13R1.202 CC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_200000210301 [0,0,0,0,1,0|3,0,0]=4 260 B13R1.202 CC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_200000210301 [0,0,0,0,1,0|3,0,0]=4 261 B13R1.202 CC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200000210301 [0,0,0,0,1,0|3,0,0]=4 262 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1O 22a_100000185747_100000717761 [0,0,0,0,1,0|2,0,1]=4 263 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1O 22a_100000185747_217856618621 [0,0,0,0,1,0|2,0,1]=4 264 B13R1.202 Cc1ccccc1NC(=O)C(=O)N 22a_100015192222_100011215815 [0,0,0,0,1,0|3,0,0]=4 265 B13R1.202 Cc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297352_200025704644 [0,0,0,0,1,0|3,0,0]=4 266 B13R1.202 NC(=O)C(=O)Nc1ccccc1Cl 22a_100000185783_100011215815 [0,0,0,0,1,0|3,0,0]=4 267 B13R1.202 NC(=O)C(=O)Nc1ccccc1F 22a_100000210422_100011215815 [0,0,0,0,1,0|3,0,0]=4 268 B13R1.202 NC(=O)C(=O)Nc1ccccc1O 22a_100000185747_100011215815 [0,0,0,0,1,0|2,0,0]=3 269 B13R1.202 O=C(Nc1ccccc1O)C(O)O 22a_100000185747_100000233687 [0,0,0,0,1,0|1,0,2]=4 270 B13R1.202 [13CH3]C(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200025704644 [0,0,0,0,1,0|3,0,0]=4 271 B15R1.130 C=C(C)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000748629 [0,0,0,0,0,1|3,0,0]=4 272 B15R1.130 C=C(C)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000748629 [0,0,0,0,0,1|3,0,0]=4 273 B15R1.130 C=C(C)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100000748629 [0,0,0,0,0,1|3,0,0]=4 274 B15R1.130 C=C(C)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000748629 [0,0,0,0,0,1|2,0,0]=3 275 B15R1.130 C=C(F)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100009893438 [0,0,0,0,0,1|3,0,0]=4 276 B15R1.130 C=C(F)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100009893438 [0,0,0,0,0,1|3,0,0]=4 277 B15R1.130 C=C(F)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100009893438 [0,0,0,0,0,1|3,0,0]=4 278 B15R1.130 C=C(F)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100009893438 [0,0,0,0,0,1|2,0,0]=3 279 B15R1.130 CC(=O)NC(=O)CSc1ccccc1O 62a_100000739446_100000183797 [0,0,0,0,0,1|2,0,1]=4 280 B15R1.130 CC(C)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210624 [0,0,0,0,0,1|2,0,1]=4 281 B15R1.130 CC(O)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011218427 [0,0,0,0,0,1|2,0,1]=4 282 B15R1.130 CC(O)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011218427 [0,0,0,0,0,1|2,0,1]=4 283 B15R1.130 CC(O)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100011218427 [0,0,0,0,0,1|2,0,1]=4 284 B15R1.130 CC(O)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100011218427 [0,0,0,0,0,1|1,0,1]=3 285 B15R1.130 NC(=O)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000187820 [0,0,0,0,0,1|2,0,0]=3 286 B15R1.130 NC(=O)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000187820 [0,0,0,0,0,1|2,0,0]=3 287 B15R1.130 NC(=O)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100000187820 [0,0,0,0,0,1|2,0,0]=3 288 B15R1.130 NC(=O)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000187820 [0,0,0,0,0,1|1,0,0]=2 289 B15R1.130 NC(=O)CC(=O)CCc1ccccc1O 1458a_100000181328_100000187820 [0,0,0,0,0,1|1,0,2]=4 290 B15R1.130 NC(=O)CC(=O)CCc1ccccc1O 1458a_100134613110_100000722297 [0,0,0,0,0,1|1,0,2]=4 291 B15R1.130 NC(=O)CC(=O)COc1ccccc1O 1458a_100000183020_100000187820 [0,0,0,0,0,1|2,0,1]=4 292 B15R1.130 NC(=O)CC(=O)CSc1ccccc1O 1458a_100000695322_100000187820 [0,0,0,0,0,1|2,0,1]=4 293 B15R1.130 NC(=O)CC(=O)NCc1ccccc1O 240690a_100000185550_100134613110 [0,0,0,0,0,1|2,0,1]=4 294 B15R1.130 NC(=O)CC(=O)NCc1ccccc1O 527a_100000185550_100134613110 [0,0,0,0,0,1|2,0,1]=4 295 B15R1.130 NC(=O)NC(=O)CSc1ccccc1O 62a_100000739446_100000182717 [0,0,0,0,0,1|2,0,1]=4 296 B15R1.130 O=C(C=Cc1ccccc1Br)C[N+](=O)[O-] 1458a_100000719032_100000761209 [0,0,0,0,0,1|2,0,1]=4 297 B15R1.130 O=C(C=Cc1ccccc1Cl)C[N+](=O)[O-] 1458a_100000720304_100000761209 [0,0,0,0,0,1|2,0,1]=4 298 B15R1.130 O=C(C=Cc1ccccc1F)C[N+](=O)[O-] 1458a_100016256065_100000761209 [0,0,0,0,0,1|2,0,1]=4 299 B15R1.130 O=C(C=Cc1ccccc1O)CC(F)F 1458a_100016263591_100011934356 [0,0,0,0,0,1|2,0,1]=4 300 B15R1.130 O=C(C=Cc1ccccc1O)C[N+](=O)[O-] 1458a_100016263591_100000761209 [0,0,0,0,0,1|1,0,1]=3 301 B15R1.130 O=C([O-])CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100020667443 [0,0,0,0,0,1|1,0,1]=3 302 B15R1.130 O=C([O-])CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100020667443 [0,0,0,0,0,1|1,0,1]=3 303 B15R1.130 O=C([O-])CC(=O)C=Cc1ccccc1F 1458a_100016256065_100020667443 [0,0,0,0,0,1|1,0,1]=3 304 B15R1.130 O=C([O-])CC(=O)C=Cc1ccccc1O 1458a_100016263591_100020667443 [0,0,0,0,0,1|0,0,1]=2 305 B15R1.130 O=C([O-])CC(=O)CCc1ccccc1O 1458a_100000181328_100020667443 [0,0,0,0,0,1|0,0,3]=4 306 B15R1.130 O=C([O-])CC(=O)COc1ccccc1O 1458a_100000183020_100020667443 [0,0,0,0,0,1|1,0,2]=4 307 B15R1.130 O=C([O-])CC(=O)CSc1ccccc1O 1458a_100000695322_100020667443 [0,0,0,0,0,1|1,0,2]=4 308 B15R1.257 CC(=O)C(=O)CNCc1ccccc1O 34a_100000185550_100011261029 [0,0,0,0,0,1|1,0,2]=4 309 B15R1.257 Cc1ccccc1C=NNC(=O)C(=O)N 4a_100000211141_100000211143 [0,0,0,0,0,1|3,0,0]=4 310 B15R1.257 NC(=O)C(=O)NCCc1ccccc1O 240690a_100011207237_100011215815 [0,0,0,0,0,1|1,0,2]=4 311 B15R1.257 NC(=O)C(=O)NN=Cc1ccccc1Br 4a_100000211141_100000211189 [0,0,0,0,0,1|3,0,0]=4 312 B15R1.257 NC(=O)C(=O)NN=Cc1ccccc1Cl 4a_100000211141_100000210073 [0,0,0,0,0,1|3,0,0]=4 313 B15R1.257 NC(=O)C(=O)NN=Cc1ccccc1F 4a_100000211141_100000210811 [0,0,0,0,0,1|3,0,0]=4 314 B15R1.257 NC(=O)C(=O)NN=Cc1ccccc1I 4a_100000211141_100000010305 [0,0,0,0,0,1|3,0,0]=4 315 B15R1.257 NC(=O)C(=O)NN=Cc1ccccc1O 4a_100000211141_100000185834 [0,0,0,0,0,1|2,0,0]=3 316 B15R1.257 NC(=O)C(=O)NN=Cc1cccnc1O 4a_100000211141_100011998315 [0,0,0,0,0,1|3,0,0]=4 317 B15R1.257 NC(=O)C(=O)NN=Cc1ccncc1O 4a_100000211141_100000077405 [0,0,0,0,0,1|3,0,0]=4 318 B15R1.257 NC(=O)C(=O)NN=Cc1ncccc1O 4a_100000211141_100000042352 [0,0,0,0,0,1|3,0,0]=4 319 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [2,0,0,0,0,0|1,0,1]=4 320 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [2,0,0,0,0,0|1,0,1]=4 321 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [2,0,0,0,0,0|2,0,0]=4 322 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [2,0,0,0,0,0|1,0,1]=4 323 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [2,0,0,0,0,0|2,0,0]=4 324 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [2,0,0,0,0,0|1,0,1]=4 325 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [2,0,0,0,0,0|2,0,0]=4 326 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [2,0,0,0,0,0|2,0,0]=4 327 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [2,0,0,0,0,0|1,0,1]=4 328 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [2,0,0,0,0,0|1,0,1]=4 329 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [2,0,0,0,0,0|1,0,1]=4 330 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [2,0,0,0,0,0|1,0,1]=4 331 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [2,0,0,0,0,0|0,0,1]=3 332 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [2,0,0,0,0,0|1,0,1]=4 333 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [2,0,0,0,0,0|1,0,1]=4 334 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [2,0,0,0,0,0|1,0,1]=4 335 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [2,0,0,0,0,0|1,0,1]=4 336 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [2,0,0,0,0,0|0,0,1]=3 337 B14R1.415 CC(=O)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100011261029 [1,1,0,0,0,0|1,0,1]=4 338 B14R1.756 COC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011610305 [1,1,0,0,0,0|1,0,1]=4 339 B14R1.756 COC(=O)C(=O)COc1ccccc1 34a_100000210340_100011610305 [1,1,0,0,0,0|1,0,1]=4 340 B14R1.756 COC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011610305 [1,1,0,0,0,0|1,0,1]=4 341 B14R1.756 COC(=O)C(=O)CSc1ccccc1 62a_100011610305_100000041952 [1,1,0,0,0,0|1,0,1]=4 342 B14R1.756 COC(=O)C(=O)NCc1ccccc1 11a_100015324214_100000024059 [1,1,0,0,0,0|1,0,1]=4 343 B14R1.756 COC(=O)C(=O)NCc1ccccc1 1626a_100015324214_100000024059 [1,1,0,0,0,0|1,0,1]=4 344 B14R1.756 COC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100000024059 [1,1,0,0,0,0|1,0,1]=4 345 B14R1.756 COC(=O)C(=O)NCc1ccccc1 527a_100015324214_100000024059 [1,1,0,0,0,0|1,0,1]=4 346 B14R1.587 C=CC(=O)CC(=O)c1ccccc1O 1458a_100000185746_100000188908 [1,1,0,0,0,0|1,0,1]=4 347 B14R1.587 O=C(CO)CC(=O)c1ccccc1O 1458a_100000210174_100000188908 [1,1,0,0,0,0|0,0,2]=4 348 B14R1.598 C#CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000184674 [1,1,0,0,0,0|1,0,1]=4 349 B14R1.598 C=CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210623 [1,1,0,0,0,0|2,0,0]=4 350 B14R1.598 C=CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210623 [1,1,0,0,0,0|2,0,0]=4 351 B14R1.598 C=CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210623 [1,1,0,0,0,0|2,0,0]=4 352 B14R1.598 C=CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210623 [1,1,0,0,0,0|1,0,0]=3 353 B14R1.598 CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210303 [1,1,0,0,0,0|1,0,1]=4 354 B14R1.598 CCOC(=O)/C=C/c1ccccc1O 271570a_203496583355_100016317929 [1,1,0,0,0,0|1,0,1]=4 355 B14R1.598 CCOC(=O)C=Cc1ccccc1O 271570a_100010199719_100000739446 [1,1,0,0,0,0|1,0,1]=4 356 B14R1.598 CNNC(=O)C=Cc1ccccc1O 22a_100016993582_100016263591 [1,1,0,0,0,0|2,0,0]=4 357 B14R1.598 N#CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011214920 [1,1,0,0,0,0|1,0,1]=4 358 B14R1.598 O=C(C=Cc1ccccc1Br)CCO 1458a_100000719032_100000211926 [1,1,0,0,0,0|1,0,1]=4 359 B14R1.598 O=C(C=Cc1ccccc1Cl)CCO 1458a_100000720304_100000211926 [1,1,0,0,0,0|1,0,1]=4 360 B14R1.598 O=C(C=Cc1ccccc1F)CCO 1458a_100016256065_100000211926 [1,1,0,0,0,0|1,0,1]=4 361 B14R1.598 O=C(C=Cc1ccccc1O)CCF 1458a_100016263591_100011217306 [1,1,0,0,0,0|1,0,1]=4 362 B14R1.598 O=C(C=Cc1ccccc1O)CCO 1458a_100016263591_100000211926 [1,1,0,0,0,0|0,0,1]=3 363 B14R1.727 CCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100000211110 [1,1,0,0,0,0|1,0,1]=4 364 B14R1.727 O=C(C=Cc1ccc(cc1O)I)CBr 6a_100000050530_100009888967 [1,1,0,0,0,0|1,0,1]=4 365 B14R1.727 O=C(C=Cc1ccc(cc1O)I)CCl 6a_100000050530_100000086384 [1,1,0,0,0,0|1,0,1]=4 366 B14R1.727 O=C(C=Cc1ccc(cc1O)I)CF 6a_100000050530_100000764096 [1,1,0,0,0,0|1,0,1]=4 367 B14R1.820 CCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_100000211110 [1,1,0,0,0,0|1,0,1]=4 368 B14R1.820 O=C(C=Cc1cc(ccc1O)I)CBr 6a_100011215628_100009888967 [1,1,0,0,0,0|1,0,1]=4 369 B14R1.820 O=C(C=Cc1cc(ccc1O)I)CCl 6a_100011215628_100000086384 [1,1,0,0,0,0|1,0,1]=4 370 B14R1.820 O=C(C=Cc1cc(ccc1O)I)CF 6a_100011215628_100000764096 [1,1,0,0,0,0|1,0,1]=4 371 B14R1.863 CCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100000210202 [1,1,0,0,0,0|1,0,1]=4 372 B14R1.863 CNC(=O)C=Cc1ccccc1OC 11a_106832991635_100000182468 [1,1,0,0,0,0|2,0,0]=4 373 B14R1.863 CNC(=O)C=Cc1ccccc1OC 1626a_100102657272_100000182468 [1,1,0,0,0,0|2,0,0]=4 374 B14R1.863 COC(=O)C=Cc1ccccc1OC 34a_200012823195_200000210301 [1,1,0,0,0,0|2,0,0]=4 375 B14R1.863 COC(=O)C=Cc1ccccc1O[13CH3] 34a_200012823195_200025704644 [1,1,0,0,0,0|2,0,0]=4 376 B14R1.863 COc1ccccc1C=CC(=O)CF 1458a_100000182468_100015361967 [1,1,0,0,0,0|1,0,1]=4 377 B14R1.153 Cc1cccc(c1O)NC(=O)C(=O)N 22a_100000756359_100011215815 [0,1,0,0,1,0|2,0,0]=4 378 B14R1.153 NC(=O)C(=O)Nc1cccc(c1O)Br 22a_100011934915_100011215815 [0,1,0,0,1,0|2,0,0]=4 379 B14R1.153 NC(=O)C(=O)Nc1cccc(c1O)Cl 22a_100000754742_100011215815 [0,1,0,0,1,0|2,0,0]=4 380 B14R1.153 NC(=O)C(=O)Nc1cccc(c1O)F 22a_100011934987_100011215815 [0,1,0,0,1,0|2,0,0]=4 381 B14R1.153 NC(=O)C(=O)Nc1cccc(c1O)I 22a_100010084371_100011215815 [0,1,0,0,1,0|2,0,0]=4 382 B14R1.243 CN(C(=O)C(=O)N)c1ccccc1O 22a_100000033821_100011215815 [0,1,0,0,1,0|2,0,0]=4 383 B14R1.3135 COc1ccccc1NC(=O)C(=O)C 1458a_200011297187_200000210301 [0,1,0,0,1,0|2,0,0]=4 384 B14R1.3135 COc1ccccc1NC(=O)C(=O)N 22a_100000210025_100011215815 [0,1,0,0,1,0|2,0,0]=4 385 B14R1.3135 COc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297187_200025704644 [0,1,0,0,1,0|2,0,0]=4 386 B14R1.3135 NC(=O)C(=O)Nc1ccccc1CO 22a_100000212039_100011215815 [0,1,0,0,1,0|2,0,0]=4 387 B14R1.4474 Cc1ccc(c(c1)NC(=O)C(=O)N)O 22a_100011215204_100011215815 [0,1,0,0,1,0|2,0,0]=4 388 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1O)Br 22a_100000752626_100011215815 [0,1,0,0,1,0|2,0,0]=4 389 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100011215815 [0,1,0,0,1,0|2,0,0]=4 390 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1O)F 22a_100000759472_100011215815 [0,1,0,0,1,0|2,0,0]=4 391 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1O)I 22a_100000753495_100011215815 [0,1,0,0,1,0|2,0,0]=4 392 B14R1.5971 Cc1cccc(c1NC(=O)C(=O)N)O 22a_100000743429_100011215815 [0,1,0,0,1,0|2,0,0]=4 393 B14R1.5971 NC(=O)C(=O)Nc1c(cccc1Cl)O 22a_100012022510_100011215815 [0,1,0,0,1,0|2,0,0]=4 394 B14R1.5971 NC(=O)C(=O)Nc1c(cccc1F)O 22a_100020591140_100011215815 [0,1,0,0,1,0|2,0,0]=4 395 B14R1.5971 NC(=O)C(=O)Nc1c(cccc1I)O 22a_200000049512_100011215815 [0,1,0,0,1,0|2,0,0]=4 396 B14R1.5971 NC(=O)C(=O)Nc1c(cccc1O)O 22a_100011995820_100011215815 [0,1,0,0,1,0|2,0,0]=4 397 B14R1.6049 Cc1ccc(c(c1)O)NC(=O)C(=O)N 22a_100000211527_100011215815 [0,1,0,0,1,0|2,0,0]=4 398 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)Br 22a_100000739049_100011215815 [0,1,0,0,1,0|2,0,0]=4 399 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100011215815 [0,1,0,0,1,0|2,0,0]=4 400 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)F 22a_100000753323_100011215815 [0,1,0,0,1,0|2,0,0]=4 401 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)I 22a_100000057187_100011215815 [0,1,0,0,1,0|2,0,0]=4 402 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)O 22a_100000106777_100011215815 [0,1,0,0,1,0|2,0,0]=4 403 B16R1.56 C=C(C)CC(=O)C=Cc1ccccc1OC 1458a_100000182468_100000748629 [0,1,0,0,0,1|2,0,0]=4 404 B16R1.56 C=C(F)CC(=O)C=Cc1ccccc1OC 1458a_100000182468_100009893438 [0,1,0,0,0,1|2,0,0]=4 405 B16R1.56 COc1ccccc1C=CC(=O)CC(=O)N 1458a_100000182468_100000187820 [0,1,0,0,0,1|1,0,0]=3 406 B16R1.56 COc1ccccc1C=CC(=O)CC(=O)[O-] 1458a_100000182468_100020667443 [0,1,0,0,0,1|0,0,1]=3 407 B16R1.56 COc1ccccc1C=CC(=O)CC(C)O 1458a_100000182468_100011218427 [0,1,0,0,0,1|1,0,1]=4 408 B16R1.56 COc1ccccc1C=CC(=O)C[N+](=O)[O-] 1458a_100000182468_100000761209 [0,1,0,0,0,1|1,0,1]=4 409 B16R1.56 COc1ncccc1C=CC(=O)CC(=O)N 1458a_100102601226_100000187820 [0,1,0,0,0,1|2,0,0]=4 410 B16R1.56 COc1ncccc1C=CC(=O)CC(=O)[O-] 1458a_100102601226_100020667443 [0,1,0,0,0,1|1,0,1]=4 411 B16R1.56 N#Cc1ccccc1C=CC(=O)CC(=O)N 1458a_100016294624_100000187820 [0,1,0,0,0,1|2,0,0]=4 412 B16R1.56 N#Cc1ccccc1C=CC(=O)CC(=O)[O-] 1458a_100016294624_100020667443 [0,1,0,0,0,1|1,0,1]=4 413 B16R1.853 C=C(C#N)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000694840 [0,1,0,0,0,1|2,0,0]=4 414 B16R1.853 CCC(=O)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000747405 [0,1,0,0,0,1|2,0,0]=4 415 B16R1.853 CCC(=O)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000747405 [0,1,0,0,0,1|2,0,0]=4 416 B16R1.853 CCC(=O)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100000747405 [0,1,0,0,0,1|2,0,0]=4 417 B16R1.853 CCC(=O)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000747405 [0,1,0,0,0,1|1,0,0]=3 418 B16R1.853 CCC(O)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100011218378 [0,1,0,0,0,1|1,0,1]=4 419 B16R1.853 CNC(=O)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000183359 [0,1,0,0,0,1|2,0,0]=4 420 B16R1.853 CNC(=O)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000183359 [0,1,0,0,0,1|2,0,0]=4 421 B16R1.853 CNC(=O)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100000183359 [0,1,0,0,0,1|2,0,0]=4 422 B16R1.853 CNC(=O)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000183359 [0,1,0,0,0,1|1,0,0]=3 423 B16R1.853 COC(=O)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000747449 [0,1,0,0,0,1|1,0,0]=3 424 B16R1.853 COC(=O)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000747449 [0,1,0,0,0,1|1,0,0]=3 425 B16R1.853 COC(=O)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100000747449 [0,1,0,0,0,1|1,0,0]=3 426 B16R1.853 COC(=O)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000747449 [0,1,0,0,0,1|0,0,0]=2 427 B16R1.853 COC(=O)CC(=O)CCc1ccccc1O 1458a_100000181328_100000747449 [0,1,0,0,0,1|0,0,2]=4 428 B16R1.853 COC(=O)CC(=O)CCc1ccccc1O 1458a_100000211351_100000722297 [0,1,0,0,0,1|0,0,2]=4 429 B16R1.853 COC(=O)CC(=O)COc1ccccc1O 1458a_100000183020_100000747449 [0,1,0,0,0,1|1,0,1]=4 430 B16R1.853 COC(=O)CC(=O)CSc1ccccc1O 1458a_100000695322_100000747449 [0,1,0,0,0,1|1,0,1]=4 431 B16R1.853 COC(=O)CC(=O)CSc1ccccc1O 62a_100000210525_100000739446 [0,1,0,0,0,1|1,0,1]=4 432 B16R1.853 COC(=O)CC(=O)CSc1ccccc1O 62a_100000739446_100000210525 [0,1,0,0,0,1|1,0,1]=4 433 B16R1.853 COC(=O)CC(=O)NCc1ccccc1O 240690a_100000185550_100000211351 [0,1,0,0,0,1|1,0,1]=4 434 B16R1.853 COC(=O)NC(=O)CSc1ccccc1O 62a_100000739446_100000010850 [0,1,0,0,0,1|1,0,1]=4 435 B16R1.853 C[C@@H](CO)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000059175 [0,1,0,0,0,1|1,0,1]=4 436 B16R1.7304 Cc1c(cccc1C=CC(=O)CC(=O)N)F 1458a_100102526135_100000187820 [0,1,0,0,0,1|2,0,0]=4 437 B16R1.7304 Cc1c(cccc1C=CC(=O)CC(=O)[O-])F 1458a_100102526135_100020667443 [0,1,0,0,0,1|1,0,1]=4 438 B16R1.7304 NC(=O)CC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100000187820 [0,1,0,0,0,1|2,0,0]=4 439 B16R1.7304 NC(=O)CC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100000187820 [0,1,0,0,0,1|2,0,0]=4 440 B16R1.7304 NC(=O)CC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100000187820 [0,1,0,0,0,1|2,0,0]=4 441 B16R1.7304 NC(=O)CC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100000187820 [0,1,0,0,0,1|2,0,0]=4 442 B16R1.7304 O=C([O-])CC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100020667443 [0,1,0,0,0,1|1,0,1]=4 443 B16R1.7304 O=C([O-])CC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100020667443 [0,1,0,0,0,1|1,0,1]=4 444 B16R1.7304 O=C([O-])CC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100020667443 [0,1,0,0,0,1|1,0,1]=4 445 B16R1.7304 O=C([O-])CC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100020667443 [0,1,0,0,0,1|1,0,1]=4 446 B16R1.7412 CC(=Cc1ccccc1Cl)C(=O)CC(=O)N 1458a_100000693296_100000187820 [0,1,0,0,0,1|2,0,0]=4 447 B16R1.7412 CC(=Cc1ccccc1Cl)C(=O)CC(=O)[O-] 1458a_100000693296_100020667443 [0,1,0,0,0,1|1,0,1]=4 448 B16R1.7422 CS(=O)(=O)NC(=O)C=Cc1ccccc1O 2740a_100000171171_100016263591 [0,1,0,0,0,1|1,0,1]=4 449 B16R1.7422 NS(=O)(=O)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000741382 [0,1,0,0,0,1|1,0,1]=4 450 B16R1.7422 O=C(C=Cc1ccccc1O)CS(=O)(=O)[O-] 1458a_100016263591_100009817235 [0,1,0,0,0,1|1,0,1]=4 451 B16R1.7437 CC(=O)NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000183797 [0,1,0,0,0,1|1,0,1]=4 452 B16R1.7437 NC(=O)CC(=O)CC(=O)c1ccccc1O 1458a_100134613110_100000188908 [0,1,0,0,0,1|1,0,1]=4 453 B16R1.7437 NC(=O)NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000182717 [0,1,0,0,0,1|1,0,1]=4 454 B16R1.7459 NC(=O)CC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100000187820 [0,1,0,0,0,1|2,0,0]=4 455 B16R1.7459 NC(=O)CC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100000187820 [0,1,0,0,0,1|2,0,0]=4 456 B16R1.7459 NC(=O)CC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100000187820 [0,1,0,0,0,1|2,0,0]=4 457 B16R1.7459 NC(=O)CC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100000187820 [0,1,0,0,0,1|2,0,0]=4 458 B16R1.7459 NC(=O)CC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100000187820 [0,1,0,0,0,1|2,0,0]=4 459 B16R1.7459 NC(=O)CC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100000187820 [0,1,0,0,0,1|2,0,0]=4 460 B16R1.7459 NC(=O)CC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100000187820 [0,1,0,0,0,1|2,0,0]=4 461 B16R1.7459 O=C([O-])CC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100020667443 [0,1,0,0,0,1|1,0,1]=4 462 B16R1.7459 O=C([O-])CC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100020667443 [0,1,0,0,0,1|1,0,1]=4 463 B16R1.7459 O=C([O-])CC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100020667443 [0,1,0,0,0,1|1,0,1]=4 464 B16R1.7459 O=C([O-])CC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100020667443 [0,1,0,0,0,1|1,0,1]=4 465 B16R1.7459 O=C([O-])CC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100020667443 [0,1,0,0,0,1|1,0,1]=4 466 B16R1.7459 O=C([O-])CC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100020667443 [0,1,0,0,0,1|1,0,1]=4 467 B16R1.7459 O=C([O-])CC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100020667443 [0,1,0,0,0,1|1,0,1]=4 468 B16R1.8820 CC(=O)C(C)C(=O)C=Cc1ccccc1Br 1458a_100000719032_100000179758 [0,1,0,0,0,1|2,0,0]=4 469 B16R1.8820 CC(=O)C(C)C(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000179758 [0,1,0,0,0,1|2,0,0]=4 470 B16R1.8820 CC(=O)C(C)C(=O)C=Cc1ccccc1F 1458a_100016256065_100000179758 [0,1,0,0,0,1|2,0,0]=4 471 B16R1.8820 CC(=O)C(C)C(=O)C=Cc1ccccc1O 1458a_100016263591_100000179758 [0,1,0,0,0,1|1,0,0]=3 472 B16R1.8820 CC(C(=O)N)C(=O)C=Cc1ccccc1Br 1458a_100000719032_100000702099 [0,1,0,0,0,1|2,0,0]=4 473 B16R1.8820 CC(C(=O)N)C(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000702099 [0,1,0,0,0,1|2,0,0]=4 474 B16R1.8820 CC(C(=O)N)C(=O)C=Cc1ccccc1F 1458a_100016256065_100000702099 [0,1,0,0,0,1|2,0,0]=4 475 B16R1.8820 CC(C(=O)N)C(=O)C=Cc1ccccc1O 1458a_100016263591_100000702099 [0,1,0,0,0,1|1,0,0]=3 476 B16R1.8820 NC(=O)C(F)C(=O)C=Cc1ccccc1Br 1458a_100000719032_100009813875 [0,1,0,0,0,1|2,0,0]=4 477 B16R1.8820 NC(=O)C(F)C(=O)C=Cc1ccccc1Cl 1458a_100000720304_100009813875 [0,1,0,0,0,1|2,0,0]=4 478 B16R1.8820 NC(=O)C(F)C(=O)C=Cc1ccccc1F 1458a_100016256065_100009813875 [0,1,0,0,0,1|2,0,0]=4 479 B16R1.8820 NC(=O)C(F)C(=O)C=Cc1ccccc1O 1458a_100016263591_100009813875 [0,1,0,0,0,1|1,0,0]=3 480 B16R1.8820 O=C([O-])C(F)C(=O)C=Cc1ccccc1Br 1458a_100000719032_100020610796 [0,1,0,0,0,1|1,0,1]=4 481 B16R1.8820 O=C([O-])C(F)C(=O)C=Cc1ccccc1Cl 1458a_100000720304_100020610796 [0,1,0,0,0,1|1,0,1]=4 482 B16R1.8820 O=C([O-])C(F)C(=O)C=Cc1ccccc1F 1458a_100016256065_100020610796 [0,1,0,0,0,1|1,0,1]=4 483 B16R1.8820 O=C([O-])C(F)C(=O)C=Cc1ccccc1O 1458a_100016263591_100020610796 [0,1,0,0,0,1|0,0,1]=3 484 B16R1.11224 NC(=O)CC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100000187820 [0,1,0,0,0,1|2,0,0]=4 485 B16R1.11224 NC(=O)CC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100000187820 [0,1,0,0,0,1|2,0,0]=4 486 B16R1.11224 NC(=O)CC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100000187820 [0,1,0,0,0,1|2,0,0]=4 487 B16R1.11224 O=C([O-])CC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100020667443 [0,1,0,0,0,1|1,0,1]=4 488 B16R1.11224 O=C([O-])CC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100020667443 [0,1,0,0,0,1|1,0,1]=4 489 B16R1.11224 O=C([O-])CC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100020667443 [0,1,0,0,0,1|1,0,1]=4 490 B16R1.11405 Cc1ccc(c(c1)C=CC(=O)CC(=O)N)F 1458a_100102526132_100000187820 [0,1,0,0,0,1|2,0,0]=4 491 B16R1.11405 Cc1ccc(c(c1)C=CC(=O)CC(=O)[O-])F 1458a_100102526132_100020667443 [0,1,0,0,0,1|1,0,1]=4 492 B16R1.11405 NC(=O)CC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100000187820 [0,1,0,0,0,1|2,0,0]=4 493 B16R1.11405 NC(=O)CC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100000187820 [0,1,0,0,0,1|2,0,0]=4 494 B16R1.11405 NC(=O)CC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100000187820 [0,1,0,0,0,1|2,0,0]=4 495 B16R1.11405 NC(=O)CC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100000187820 [0,1,0,0,0,1|2,0,0]=4 496 B16R1.11405 O=C([O-])CC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100020667443 [0,1,0,0,0,1|1,0,1]=4 497 B16R1.11405 O=C([O-])CC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100020667443 [0,1,0,0,0,1|1,0,1]=4 498 B16R1.11405 O=C([O-])CC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100020667443 [0,1,0,0,0,1|1,0,1]=4 499 B16R1.11405 O=C([O-])CC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100020667443 [0,1,0,0,0,1|1,0,1]=4 500 B16R1.86 Cc1cccc(c1O)C=NNC(=O)C(=O)N 4a_100000211141_100000744487 [0,1,0,0,0,1|2,0,0]=4 501 B16R1.86 NC(=O)C(=O)NN=Cc1cccc(c1O)Br 4a_100000211141_100000737635 [0,1,0,0,0,1|2,0,0]=4 502 B16R1.86 NC(=O)C(=O)NN=Cc1cccc(c1O)Cl 4a_100000211141_100000742778 [0,1,0,0,0,1|2,0,0]=4 503 B16R1.86 NC(=O)C(=O)NN=Cc1cccc(c1O)F 4a_100000211141_100000745301 [0,1,0,0,0,1|2,0,0]=4 504 B16R1.86 NC(=O)C(=O)NN=Cc1cccc(c1O)I 4a_100000211141_100010171435 [0,1,0,0,0,1|2,0,0]=4 505 B16R1.86 NC(=O)C(=O)NN=Cc1cccc(c1O)O 4a_100000211141_100000183676 [0,1,0,0,0,1|2,0,0]=4 506 B16R1.3911 COc1ccccc1C=NNC(=O)C(=O)N 4a_100000211141_100000169842 [0,1,0,0,0,1|2,0,0]=4 507 B16R1.6945 COC(=O)C(=O)CNCc1ccccc1O 34a_100000185550_100011610305 [0,1,0,0,0,1|0,0,2]=4 508 B16R1.6945 COC(=O)C(=O)NCCc1ccccc1O 240690a_100011207237_100000024059 [0,1,0,0,0,1|0,0,2]=4 509 B16R1.6945 COC(=O)C(=O)NCCc1ccccc1O 527a_100011207237_100000024059 [0,1,0,0,0,1|0,0,2]=4 510 B16R1.7413 CC(=O)C(=O)CC(=O)Cc1ccccc1O 1458a_100000743006_100011261029 [0,1,0,0,0,1|1,0,1]=4 511 B16R1.7491 Cc1ccc(c(c1)C=NNC(=O)C(=O)N)O 4a_100000211141_100000744884 [0,1,0,0,0,1|2,0,0]=4 512 B16R1.7491 NC(=O)C(=O)NN=Cc1cc(ccc1O)Br 4a_100000211141_100000186750 [0,1,0,0,0,1|2,0,0]=4 513 B16R1.7491 NC(=O)C(=O)NN=Cc1cc(ccc1O)Cl 4a_100000211141_100000188317 [0,1,0,0,0,1|2,0,0]=4 514 B16R1.7491 NC(=O)C(=O)NN=Cc1cc(ccc1O)F 4a_100000211141_100000742802 [0,1,0,0,0,1|2,0,0]=4 515 B16R1.7491 NC(=O)C(=O)NN=Cc1cc(ccc1O)I 4a_100000211141_100011215628 [0,1,0,0,0,1|2,0,0]=4 516 B16R1.7491 NC(=O)C(=O)NN=Cc1cc(ccc1O)O 4a_100000211141_100011219918 [0,1,0,0,0,1|2,0,0]=4 517 B16R1.10819 CC(=NNC(=O)C(=O)N)c1ccccc1O 4a_100000211141_100000188907 [0,1,0,0,0,1|2,0,0]=4 518 B16R1.10819 NC(=O)C(=O)NNC(=O)c1ccccc1O 22a_100000211141_100015234032 [0,1,0,0,0,1|2,0,0]=4 519 B16R1.11209 Cc1cccc(c1C=NNC(=O)C(=O)N)O 4a_100000211141_100009858367 [0,1,0,0,0,1|2,0,0]=4 520 B16R1.11209 NC(=O)C(=O)NN=Cc1c(cccc1Br)O 4a_100000211141_100009814793 [0,1,0,0,0,1|2,0,0]=4 521 B16R1.11209 NC(=O)C(=O)NN=Cc1c(cccc1Cl)O 4a_100000211141_100000741911 [0,1,0,0,0,1|2,0,0]=4 522 B16R1.11209 NC(=O)C(=O)NN=Cc1c(cccc1F)O 4a_100000211141_100011217653 [0,1,0,0,0,1|2,0,0]=4 523 B16R1.11209 NC(=O)C(=O)NN=Cc1c(cccc1I)O 4a_100000211141_100010193437 [0,1,0,0,0,1|2,0,0]=4 524 B16R1.11209 NC(=O)C(=O)NN=Cc1c(cccc1O)O 4a_100000211141_100000050391 [0,1,0,0,0,1|2,0,0]=4 525 B16R1.11391 Cc1ccc(c(c1)O)C=NNC(=O)C(=O)N 4a_100000211141_100000050924 [0,1,0,0,0,1|2,0,0]=4 526 B16R1.11391 NC(=O)C(=O)NN=Cc1ccc(cc1O)Br 4a_100000211141_100011277552 [0,1,0,0,0,1|2,0,0]=4 527 B16R1.11391 NC(=O)C(=O)NN=Cc1ccc(cc1O)Cl 4a_100000211141_100011243810 [0,1,0,0,0,1|2,0,0]=4 528 B16R1.11391 NC(=O)C(=O)NN=Cc1ccc(cc1O)F 4a_100000211141_100000038406 [0,1,0,0,0,1|2,0,0]=4 529 B16R1.11391 NC(=O)C(=O)NN=Cc1ccc(cc1O)I 4a_100000211141_100000050530 [0,1,0,0,0,1|2,0,0]=4 530 B16R1.11391 NC(=O)C(=O)NN=Cc1ccc(cc1O)O 4a_100000211141_100000212098 [0,1,0,0,0,1|2,0,0]=4 531 B16R1.1368 COC(=O)C(=O)CNc1ccccc1CO 34a_100000212039_100011610305 [0,2,0,0,0,0|1,0,1]=4 532 B16R1.1368 COC(=O)C(=O)CNc1ccccc1OC 34a_100000210025_100011610305 [0,2,0,0,0,0|1,0,1]=4 533 B16R1.1368 COC(=O)C(=O)COc1ccccc1CO 34a_100011216872_100011610305 [0,2,0,0,0,0|1,0,1]=4 534 B16R1.1368 COC(=O)C(=O)COc1ccccc1OC 34a_100000210385_100011610305 [0,2,0,0,0,0|1,0,1]=4 535 B16R1.1368 COC(=O)C(=O)CSc1ccccc1CO 62a_100000187465_100011610305 [0,2,0,0,0,0|1,0,1]=4 536 B16R1.1368 COC(=O)C(=O)CSc1ccccc1CO 62a_100011610305_100000187465 [0,2,0,0,0,0|1,0,1]=4 537 B16R1.1368 COC(=O)C(=O)CSc1ccccc1OC 62a_100000210334_100011610305 [0,2,0,0,0,0|1,0,1]=4 538 B16R1.1368 COC(=O)C(=O)CSc1ccccc1OC 62a_100011610305_100000210334 [0,2,0,0,0,0|1,0,1]=4 539 B16R1.1368 COC(=O)C(=O)NCc1ccccc1CO 240690a_100000743596_100000024059 [0,2,0,0,0,0|1,0,1]=4 540 B16R1.1368 COC(=O)C(=O)NCc1ccccc1CO 527a_100000743596_100000024059 [0,2,0,0,0,0|1,0,1]=4 541 B16R1.1368 COC(=O)C(=O)NCc1ccccc1OC 11a_100000188900_100000024059 [0,2,0,0,0,0|1,0,1]=4 542 B16R1.1368 COC(=O)C(=O)NCc1ccccc1OC 1626a_100000188900_100000024059 [0,2,0,0,0,0|1,0,1]=4 543 B16R1.1368 COC(=O)C(=O)NCc1ccccc1OC 240690a_100000188900_100000024059 [0,2,0,0,0,0|1,0,1]=4 544 B16R1.1368 COC(=O)C(=O)NCc1ccccc1OC 527a_100000188900_100000024059 [0,2,0,0,0,0|1,0,1]=4 545 B16R1.5566 CC(=O)C(=O)CC(=O)c1ccccc1CO 1458a_100011301526_100011261029 [0,2,0,0,0,0|1,0,1]=4 546 B16R1.5566 COc1ccccc1C(=O)CC(=O)C(=O)C 1458a_100000185835_100011261029 [0,2,0,0,0,0|1,0,1]=4 547 B16R1.5437 COC(=O)C(=O)C(C)Nc1ccccc1O 34a_100000185747_100000692041 [0,2,0,0,0,0|1,0,1]=4 548 B16R1.5437 COC(=O)C(=O)C(C)Sc1ccccc1O 62a_100000692041_100000739446 [0,2,0,0,0,0|1,0,1]=4 549 B16R1.5437 COC(=O)C(=O)C(C)Sc1ccccc1O 62a_100000739446_100000692041 [0,2,0,0,0,0|1,0,1]=4 550 B16R1.5437 COC(=O)C(=O)N(C)Cc1ccccc1O 240690a_100015189988_100000024059 [0,2,0,0,0,0|1,0,1]=4 551 B16R1.5437 COC(=O)C(=O)N(C)Cc1ccccc1O 527a_100015189988_100000024059 [0,2,0,0,0,0|1,0,1]=4 552 B16R1.1191 COC(=O)C(=O)CNc1cccc(c1O)Br 34a_100011934915_100011610305 [0,2,0,0,0,0|1,0,1]=4 553 B16R1.1191 COC(=O)C(=O)CNc1cccc(c1O)C 34a_100000756359_100011610305 [0,2,0,0,0,0|1,0,1]=4 554 B16R1.1191 COC(=O)C(=O)CNc1cccc(c1O)Cl 34a_100000754742_100011610305 [0,2,0,0,0,0|1,0,1]=4 555 B16R1.1191 COC(=O)C(=O)CNc1cccc(c1O)F 34a_100011934987_100011610305 [0,2,0,0,0,0|1,0,1]=4 556 B16R1.1191 COC(=O)C(=O)CSc1cccc(c1O)Br 62a_100010084509_100011610305 [0,2,0,0,0,0|1,0,1]=4 557 B16R1.1191 COC(=O)C(=O)CSc1cccc(c1O)Br 62a_100011610305_100010084509 [0,2,0,0,0,0|1,0,1]=4 558 B16R1.1191 COC(=O)C(=O)CSc1cccc(c1O)C 62a_100009817157_100011610305 [0,2,0,0,0,0|1,0,1]=4 559 B16R1.1191 COC(=O)C(=O)CSc1cccc(c1O)C 62a_100011610305_100009817157 [0,2,0,0,0,0|1,0,1]=4 560 B16R1.1191 COC(=O)C(=O)CSc1cccc(c1O)Cl 62a_100010202889_100011610305 [0,2,0,0,0,0|1,0,1]=4 561 B16R1.1191 COC(=O)C(=O)CSc1cccc(c1O)Cl 62a_100011610305_100010202889 [0,2,0,0,0,0|1,0,1]=4 562 B16R1.1191 COC(=O)C(=O)CSc1cccc(c1O)F 62a_100009813666_100011610305 [0,2,0,0,0,0|1,0,1]=4 563 B16R1.1191 COC(=O)C(=O)CSc1cccc(c1O)F 62a_100011610305_100009813666 [0,2,0,0,0,0|1,0,1]=4 564 B16R1.1191 COC(=O)C(=O)CSc1cccc(c1O)N 62a_100011610305_100010084371 [0,2,0,0,0,0|1,0,1]=4 565 B16R1.1191 COC(=O)C(=O)CSc1cccc(c1O)N 62a_100011934915_100011610305 [0,2,0,0,0,0|1,0,1]=4 566 B16R1.1191 COC(=O)C(=O)CSc1cccc(c1O)O 62a_100011610305_100009815950 [0,2,0,0,0,0|1,0,1]=4 567 B16R1.1191 COC(=O)C(=O)NCc1cccc(c1O)C 11a_100020639391_100000024059 [0,2,0,0,0,0|1,0,1]=4 568 B16R1.1191 COC(=O)C(=O)NCc1cccc(c1O)C 240690a_100020639391_100000024059 [0,2,0,0,0,0|1,0,1]=4 569 B16R1.1191 COC(=O)C(=O)NCc1cccc(c1O)C 527a_100020639391_100000024059 [0,2,0,0,0,0|1,0,1]=4 570 B16R1.1645 COC(=O)C(=O)CNc1ccc(cc1O)Br 34a_100000739049_100011610305 [0,2,0,0,0,0|1,0,1]=4 571 B16R1.1645 COC(=O)C(=O)CNc1ccc(cc1O)C 34a_100000211527_100011610305 [0,2,0,0,0,0|1,0,1]=4 572 B16R1.1645 COC(=O)C(=O)CNc1ccc(cc1O)Cl 34a_100000185728_100011610305 [0,2,0,0,0,0|1,0,1]=4 573 B16R1.1645 COC(=O)C(=O)CNc1ccc(cc1O)F 34a_100000753323_100011610305 [0,2,0,0,0,0|1,0,1]=4 574 B16R1.1645 COC(=O)C(=O)CNc1ccc(cc1O)O 34a_100000106777_100011610305 [0,2,0,0,0,0|1,0,1]=4 575 B16R1.1645 COC(=O)C(=O)CSc1ccc(cc1O)Br 62a_100011610305_100012344904 [0,2,0,0,0,0|1,0,1]=4 576 B16R1.1645 COC(=O)C(=O)CSc1ccc(cc1O)Br 62a_100012344904_100011610305 [0,2,0,0,0,0|1,0,1]=4 577 B16R1.1645 COC(=O)C(=O)CSc1ccc(cc1O)C 62a_100011610305_100012002257 [0,2,0,0,0,0|1,0,1]=4 578 B16R1.1645 COC(=O)C(=O)CSc1ccc(cc1O)C 62a_100012002257_100011610305 [0,2,0,0,0,0|1,0,1]=4 579 B16R1.1645 COC(=O)C(=O)CSc1ccc(cc1O)Cl 62a_100000050036_100011610305 [0,2,0,0,0,0|1,0,1]=4 580 B16R1.1645 COC(=O)C(=O)CSc1ccc(cc1O)Cl 62a_100011610305_100000050036 [0,2,0,0,0,0|1,0,1]=4 581 B16R1.1645 COC(=O)C(=O)CSc1ccc(cc1O)F 62a_100000690578_100011610305 [0,2,0,0,0,0|1,0,1]=4 582 B16R1.1645 COC(=O)C(=O)CSc1ccc(cc1O)F 62a_100011610305_100000690578 [0,2,0,0,0,0|1,0,1]=4 583 B16R1.1645 COC(=O)C(=O)CSc1ccc(cc1O)O 62a_100011610305_100009813921 [0,2,0,0,0,0|1,0,1]=4 584 B16R1.4553 CC(CCO)C(=O)C=Cc1ccccc1O 1458a_100016263591_100009893172 [0,2,0,0,0,0|1,0,1]=4 585 B16R1.4553 CCOC(=O)C(=O)CSc1ccccc1O 62a_100000211299_100000739446 [0,2,0,0,0,0|1,0,1]=4 586 B16R1.4553 CCOC(=O)C(=O)CSc1ccccc1O 62a_100000739446_100000211299 [0,2,0,0,0,0|1,0,1]=4 587 B16R1.4553 CCOC(=O)C(=O)NCc1ccccc1O 240690a_100000185550_100014798877 [0,2,0,0,0,0|1,0,1]=4 588 B16R1.4553 COCC(C)C(=O)C=Cc1ccccc1O 1458a_100016263591_100000765312 [0,2,0,0,0,0|1,0,1]=4 589 B16R1.16904 CNC(=O)C(=O)CC(=O)c1ccccc1O 1458a_100011218921_100000188908 [0,2,0,0,0,0|1,0,1]=4 590 B16R1.16904 COC(=O)C(=O)CC(=O)c1ccccc1O 271570a_203496583355_100000743152 [0,2,0,0,0,0|0,0,1]=3 591 B16R1.16904 COC(=O)C(=O)N[C@H](C)c1ccccc1O 240690a_100025703389_100000024059 [0,2,0,0,0,0|1,0,1]=4 592 B16R1.16904 COC(=O)C(=O)N[C@H](C)c1ccccc1O 527a_100025703389_100000024059 [0,2,0,0,0,0|1,0,1]=4 593 B16R1.17410 COC(=O)C(=O)CNc1cc(ccc1O)Br 34a_100000752626_100011610305 [0,2,0,0,0,0|1,0,1]=4 594 B16R1.17410 COC(=O)C(=O)CNc1cc(ccc1O)C 34a_100011215204_100011610305 [0,2,0,0,0,0|1,0,1]=4 595 B16R1.17410 COC(=O)C(=O)CNc1cc(ccc1O)Cl 34a_100000210500_100011610305 [0,2,0,0,0,0|1,0,1]=4 596 B16R1.17410 COC(=O)C(=O)CNc1cc(ccc1O)F 34a_100000759472_100011610305 [0,2,0,0,0,0|1,0,1]=4 597 B16R1.17410 COC(=O)C(=O)CSc1cc(ccc1O)Br 62a_100011610305_100012355227 [0,2,0,0,0,0|1,0,1]=4 598 B16R1.17410 COC(=O)C(=O)CSc1cc(ccc1O)Br 62a_100012355227_100011610305 [0,2,0,0,0,0|1,0,1]=4 599 B16R1.17410 COC(=O)C(=O)CSc1cc(ccc1O)C 62a_100000765521_100011610305 [0,2,0,0,0,0|1,0,1]=4 600 B16R1.17410 COC(=O)C(=O)CSc1cc(ccc1O)C 62a_100011610305_100000765521 [0,2,0,0,0,0|1,0,1]=4 601 B16R1.17410 COC(=O)C(=O)CSc1cc(ccc1O)Cl 62a_100011356953_100011610305 [0,2,0,0,0,0|1,0,1]=4 602 B16R1.17410 COC(=O)C(=O)CSc1cc(ccc1O)Cl 62a_100011610305_100011356953 [0,2,0,0,0,0|1,0,1]=4 603 B16R1.17410 COC(=O)C(=O)CSc1cc(ccc1O)F 62a_100000211999_100011610305 [0,2,0,0,0,0|1,0,1]=4 604 B16R1.17410 COC(=O)C(=O)CSc1cc(ccc1O)F 62a_100011610305_100000211999 [0,2,0,0,0,0|1,0,1]=4 605 B16R1.17410 COC(=O)C(=O)CSc1cc(ccc1O)N 62a_100011534360_100011610305 [0,2,0,0,0,0|1,0,1]=4 606 B16R1.17410 COC(=O)C(=O)CSc1cc(ccc1O)N 62a_100011610305_100011534360 [0,2,0,0,0,0|1,0,1]=4 607 B16R1.17410 COC(=O)C(=O)CSc1cc(ccc1O)O 62a_100011610305_100009813629 [0,2,0,0,0,0|1,0,1]=4 608 B16R1.17410 COC(=O)C(=O)NCc1cc(ccc1O)Br 240690a_100000730032_100000024059 [0,2,0,0,0,0|1,0,1]=4 609 B16R1.17410 COC(=O)C(=O)NCc1cc(ccc1O)Br 527a_100000730032_100000024059 [0,2,0,0,0,0|1,0,1]=4 610 B16R1.17410 COC(=O)C(=O)NCc1cc(ccc1O)Cl 240690a_100000238540_100000024059 [0,2,0,0,0,0|1,0,1]=4 611 B16R1.17410 COC(=O)C(=O)NCc1cc(ccc1O)Cl 527a_100000238540_100000024059 [0,2,0,0,0,0|1,0,1]=4 612 B16R1.93537 COC(=O)C(=O)CNc1c(cccc1Br)O 34a_100011934926_100011610305 [0,2,0,0,0,0|1,0,1]=4 613 B16R1.93537 COC(=O)C(=O)CNc1c(cccc1Cl)O 34a_100012022510_100011610305 [0,2,0,0,0,0|1,0,1]=4 614 B16R1.93537 COC(=O)C(=O)CNc1c(cccc1F)O 34a_100020591140_100011610305 [0,2,0,0,0,0|1,0,1]=4 615 B16R1.93537 COC(=O)C(=O)CNc1c(cccc1O)C 34a_100000743429_100011610305 [0,2,0,0,0,0|1,0,1]=4 616 B16R1.93537 COC(=O)C(=O)CSc1c(cccc1Br)O 62a_100010187912_100011610305 [0,2,0,0,0,0|1,0,1]=4 617 B16R1.93537 COC(=O)C(=O)CSc1c(cccc1Br)O 62a_100011610305_100010187912 [0,2,0,0,0,0|1,0,1]=4 618 B16R1.93537 COC(=O)C(=O)CSc1c(cccc1Cl)O 62a_100011610305_100000050174 [0,2,0,0,0,0|1,0,1]=4 619 B16R1.93537 COC(=O)C(=O)CSc1c(cccc1F)O 62a_100009820682_100011610305 [0,2,0,0,0,0|1,0,1]=4 620 B16R1.93537 COC(=O)C(=O)CSc1c(cccc1F)O 62a_100011610305_100009820682 [0,2,0,0,0,0|1,0,1]=4 621 B16R1.93537 COC(=O)C(=O)CSc1c(cccc1O)C 62a_100000686692_100011610305 [0,2,0,0,0,0|1,0,1]=4 622 B16R1.93537 COC(=O)C(=O)CSc1c(cccc1O)C 62a_100011610305_100000686692 [0,2,0,0,0,0|1,0,1]=4 623 B16R1.93537 COC(=O)C(=O)CSc1c(cccc1O)N 62a_100011610305_100012183704 [0,2,0,0,0,0|1,0,1]=4 624 B16R1.93537 COC(=O)C(=O)CSc1c(cccc1O)N 62a_100012183704_100011610305 [0,2,0,0,0,0|1,0,1]=4 625 B16R1.93537 COC(=O)C(=O)CSc1c(cccc1O)O 62a_100011610305_100010205330 [0,2,0,0,0,0|1,0,1]=4 626 B16R1.11263 CC(=O)C(=O)CC(=O)c1cccc(c1O)Br 1458a_100000752940_100011261029 [0,2,0,0,0,0|1,0,1]=4 627 B16R1.11263 CC(=O)C(=O)CC(=O)c1cccc(c1O)C 1458a_100000183896_100011261029 [0,2,0,0,0,0|1,0,1]=4 628 B16R1.11263 CC(=O)C(=O)CC(=O)c1cccc(c1O)Cl 1458a_100000742801_100011261029 [0,2,0,0,0,0|1,0,1]=4 629 B16R1.11263 CC(=O)C(=O)CC(=O)c1cccc(c1O)F 1458a_100011217230_100011261029 [0,2,0,0,0,0|1,0,1]=4 630 B16R1.11263 CC(=O)C(=O)CC(=O)c1cccc(c1O)O 1458a_100000690420_100011261029 [0,2,0,0,0,0|1,0,1]=4 631 B16R1.11441 CC(=O)C(=O)CC(=O)c1ccc(cc1O)Br 1458a_100000744433_100011261029 [0,2,0,0,0,0|1,0,1]=4 632 B16R1.11441 CC(=O)C(=O)CC(=O)c1ccc(cc1O)C 1458a_100000212137_100011261029 [0,2,0,0,0,0|1,0,1]=4 633 B16R1.11441 CC(=O)C(=O)CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100011261029 [0,2,0,0,0,0|1,0,1]=4 634 B16R1.11441 CC(=O)C(=O)CC(=O)c1ccc(cc1O)F 1458a_100000746061_100011261029 [0,2,0,0,0,0|1,0,1]=4 635 B16R1.11441 CC(=O)C(=O)CC(=O)c1ccc(cc1O)I 1458a_100000091984_100011261029 [0,2,0,0,0,0|1,0,1]=4 636 B16R1.11441 CC(=O)C(=O)CC(=O)c1ccc(cc1O)O 1458a_100000212172_100011261029 [0,2,0,0,0,0|1,0,1]=4 637 B16R1.11443 CC(=O)C(=O)CC(=O)c1cc(ccc1O)Br 1458a_100000212140_100011261029 [0,2,0,0,0,0|1,0,1]=4 638 B16R1.11443 CC(=O)C(=O)CC(=O)c1cc(ccc1O)C 1458a_100000229998_100011261029 [0,2,0,0,0,0|1,0,1]=4 639 B16R1.11443 CC(=O)C(=O)CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100011261029 [0,2,0,0,0,0|1,0,1]=4 640 B16R1.11443 CC(=O)C(=O)CC(=O)c1cc(ccc1O)F 1458a_100000742286_100011261029 [0,2,0,0,0,0|1,0,1]=4 641 B16R1.11443 CC(=O)C(=O)CC(=O)c1cc(ccc1O)I 1458a_100000212111_100011261029 [0,2,0,0,0,0|1,0,1]=4 642 B16R1.11443 CC(=O)C(=O)CC(=O)c1cc(ccc1O)O 1458a_100000758025_100011261029 [0,2,0,0,0,0|1,0,1]=4 643 B16R1.54270 CC(=O)C(=O)CC(=O)c1c(cccc1Br)O 1458a_100011935254_100011261029 [0,2,0,0,0,0|1,0,1]=4 644 B16R1.54270 CC(=O)C(=O)CC(=O)c1c(cccc1Cl)O 1458a_100000745519_100011261029 [0,2,0,0,0,0|1,0,1]=4 645 B16R1.54270 CC(=O)C(=O)CC(=O)c1c(cccc1F)O 1458a_100000763259_100011261029 [0,2,0,0,0,0|1,0,1]=4 646 B16R1.54270 CC(=O)C(=O)CC(=O)c1c(cccc1O)C 1458a_100011934116_100011261029 [0,2,0,0,0,0|1,0,1]=4 647 B16R1.54270 CC(=O)C(=O)CC(=O)c1c(cccc1O)O 1458a_100000755285_100011261029 [0,2,0,0,0,0|1,0,1]=4 648 B14R2.256 Cc1ccc(o1)c2ccccc2Br 271570a_100000061910_100000695589 [1,0,0,1,0,0|2,0,0]=4 649 B14R2.256 Cc1ccc(o1)c2ccccc2C 271570a_100000061910_100000210755 [1,0,0,1,0,0|2,0,0]=4 650 B14R2.256 Cc1ccc(o1)c2ccccc2Cl 271570a_100000061910_100000764095 [1,0,0,1,0,0|2,0,0]=4 651 B14R2.256 Cc1ccc(o1)c2ccccc2F 271570a_100000061910_100011215700 [1,0,0,1,0,0|2,0,0]=4 652 B14R2.256 Cc1ccc(o1)c2ccccc2N 271570a_100000061910_100000210017 [1,0,0,1,0,0|2,0,0]=4 653 B14R2.256 Cc1ccc(o1)c2ccccc2O 271570a_100000061910_100000739446 [1,0,0,1,0,0|1,0,0]=3 654 B14R2.256 Cc1ccc(o1)c2ccncc2O 271570a_100000061910_100009817591 [1,0,0,1,0,0|2,0,0]=4 655 B14R2.256 Cc1ccc(o1)c2ncccc2O 271570a_100000061910_100000034122 [1,0,0,1,0,0|2,0,0]=4 656 B14R2.256 Cc1ccc(s1)c2ccccc2O 271570a_100000035170_100000761539 [1,0,0,1,0,0|1,1,0]=4 657 B14R2.256 Cc1ccc(s1)c2ccccc2O 271570a_100011934456_100000739446 [1,0,0,1,0,0|1,1,0]=4 658 B14R2.256 Oc1ccccc1c2ccc(s2)Br 271570a_100000035170_100010197418 [1,0,0,1,0,0|1,1,0]=4 659 B14R2.256 Oc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000739446 [1,0,0,1,0,0|1,1,0]=4 660 B14R2.768 CC(=Cc1cc2ccccc2o1)C 271570a_100102525489_100010159458 [1,0,0,1,0,0|2,0,0]=4 661 B14R2.768 CC(=O)Cc1cc2ccccc2o1 1458a_100000735538_200000210301 [1,0,0,1,0,0|1,0,1]=4 662 B14R2.768 [13CH3]C(=O)Cc1cc2ccccc2o1 1458a_100000735538_200025704644 [1,0,0,1,0,0|1,0,1]=4 663 B14R2.781 CC(=O)c1ccc2ccccc2c1 1458a_100000210637_200000210301 [1,0,0,1,0,0|2,0,0]=4 664 B14R2.781 [13CH3]C(=O)c1ccc2ccccc2c1 1458a_100000210637_200025704644 [1,0,0,1,0,0|2,0,0]=4 665 B14R2.8032 CC(=O)c1c[nH]c2c1cccc2O 271570a_203496583355_100010272396 [1,0,0,1,0,0|2,0,0]=4 666 B14R2.1801 C=Cc1ccc2c(cccc2c1)O 271570a_100011290941_100010202202 [1,0,0,1,0,0|2,0,0]=4 667 B16R2.11592 CC(=O)CC(=O)c1cc2ccccc2o1 1458a_100000070787_100000209828 [0,0,0,1,0,1|1,0,0]=3 668 B16R2.11592 CC(=O)CC(=O)c1cc2ccccc2s1 1458a_100000070787_100012351422 [0,0,0,1,0,1|1,1,0]=4 669 B16R2.11592 NC(=O)CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000187820 [0,0,0,1,0,1|2,0,0]=4 670 B16R2.11592 O=C([O-])CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100020667443 [0,0,0,1,0,1|1,0,1]=4 671 B16R2.14690 O=C(C=Cc1ccccc1O)CC2CO2 1458a_100016263591_100011216344 [0,0,0,1,0,1|1,0,1]=4 672 B16R2.14690 O=C(C=Cc1ccccc1O)C[C@@H]2CO2 1458a_100016263591_100000745022 [0,0,0,1,0,1|1,0,1]=4 673 B16R2.22859 CC(=O)Nc1ccc2c(cccc2c1)O 1626a_100000035793_100015343762 [0,0,0,1,0,1|2,0,0]=4 674 B16R2.22859 CC(=O)Nc1ccc2c(cccc2c1)O 22a_100000035793_100000070787 [0,0,0,1,0,1|2,0,0]=4 675 B16R2.22859 CC(=O)Nc1ccc2c(cccc2c1)O 527a_100000035793_100103153847 [0,0,0,1,0,1|2,0,0]=4 676 B16R2.95959 Cc1cc(cc(=O)[nH]1)c2ccccc2O 271570a_100000035170_100009861981 [0,0,0,1,0,1|2,0,0]=4 677 B16R2.95959 Cc1cc(cc(c1)c2ccccc2O)O 271570a_100000035170_100011999630 [0,0,0,1,0,1|2,0,0]=4 678 B16R2.95959 Cc1cc(cc(c1)c2ccccc2O)O 271570a_100010141081_100000739446 [0,0,0,1,0,1|2,0,0]=4 679 B16R2.95959 Cc1ccccc1c2cc(=O)[nH]c(=O)[nH]2 271570a_100000747142_100000015670 [0,0,0,1,0,1|2,0,0]=4 680 B16R2.95959 Nc1ccccc1c2cc(=O)[nH]c(=O)[nH]2 271570a_100000034411_100000015670 [0,0,0,1,0,1|2,0,0]=4 681 B16R2.95959 O=c1cc([nH]c(=O)[nH]1)c2ccccc2Cl 271570a_100011934419_100000015670 [0,0,0,1,0,1|2,0,0]=4 682 B16R2.95959 O=c1cc([nH]c(=O)[nH]1)c2ccccc2F 271570a_100000761933_100000015670 [0,0,0,1,0,1|2,0,0]=4 683 B16R2.95959 O=c1cc([nH]c(=O)[nH]1)c2ccccc2I 271570a_100000069755_100000015670 [0,0,0,1,0,1|2,0,0]=4 684 B16R2.95959 O=c1cc([nH]c(=O)[nH]1)c2ccccc2O 271570a_100000035170_100000015670 [0,0,0,1,0,1|1,0,0]=3 685 B16R2.95959 Oc1cc(cc(c1)c2ccccc2O)Br 271570a_100000035170_100010068917 [0,0,0,1,0,1|2,0,0]=4 686 B16R2.95959 Oc1cc(cc(c1)c2ccccc2O)Br 271570a_100010062373_100000739446 [0,0,0,1,0,1|2,0,0]=4 687 B16R2.95959 Oc1cc(cc(c1)c2ccccc2O)Cl 271570a_100000035170_100010068924 [0,0,0,1,0,1|2,0,0]=4 688 B16R2.95959 Oc1cc(cc(c1)c2ccccc2O)Cl 271570a_100010141066_100000739446 [0,0,0,1,0,1|2,0,0]=4 689 B16R2.95959 Oc1cc(cc(c1)c2ccccc2O)F 271570a_100000035170_100000717995 [0,0,0,1,0,1|2,0,0]=4 690 B16R2.95959 Oc1cc(cc(c1)c2ccccc2O)F 271570a_100000049484_100000739446 [0,0,0,1,0,1|2,0,0]=4 691 B16R2.95959 Oc1cc(cc(c1)c2ccccc2O)O 271570a_100000035170_100009868816 [0,0,0,1,0,1|1,0,1]=4 692 B16R2.95959 Oc1cc(cc(c1)c2ccccc2O)O 271570a_100010660742_100000739446 [0,0,0,1,0,1|1,0,1]=4 693 B16R2.3269 Cc1ccc(cc1O)c2ccccc2O 271570a_100000035170_100000766334 [0,0,0,1,0,1|2,0,0]=4 694 B16R2.3269 Cc1ccc(cc1O)c2ccccc2O 271570a_100000077161_100000739446 [0,0,0,1,0,1|2,0,0]=4 695 B16R2.3269 Cc1ccccc1c2c[nH]c(=O)c(c2)O 271570a_100000747142_100009814561 [0,0,0,1,0,1|2,0,0]=4 696 B16R2.3269 Cc1cnc(cc1O)c2ccccc2O 271570a_100000035170_100000704368 [0,0,0,1,0,1|2,0,0]=4 697 B16R2.3269 Cc1nc(c[nH]c1=O)c2ccccc2O 271570a_100000035170_100010363809 [0,0,0,1,0,1|2,0,0]=4 698 B16R2.3269 Cc1ncc(cc1O)c2ccccc2O 271570a_100000035170_100009864810 [0,0,0,1,0,1|2,0,0]=4 699 B16R2.3269 Nc1ccc(cc1O)c2ccccc2O 271570a_100000035170_100000739049 [0,0,0,1,0,1|2,0,0]=4 700 B16R2.3269 Nc1ccc(nc1O)c2ccccc2O 271570a_100000035170_100000718904 [0,0,0,1,0,1|2,0,0]=4 701 B16R2.3269 Nc1ccccc1c2c[nH]c(=O)c(c2)O 271570a_100000034411_100009814561 [0,0,0,1,0,1|2,0,0]=4 702 B16R2.3269 Nc1ncc([nH]c1=O)c2ccccc2O 271570a_100000035170_100009840296 [0,0,0,1,0,1|2,0,0]=4 703 B16R2.3269 Nc1ncc(cc1O)c2ccccc2O 271570a_100000035170_100009819042 [0,0,0,1,0,1|2,0,0]=4 704 B16R2.3269 O=c1[nH]cc(cc1Br)c2ccccc2O 271570a_100000035170_100010125443 [0,0,0,1,0,1|2,0,0]=4 705 B16R2.3269 O=c1[nH]cc(cc1F)c2ccccc2O 271570a_100000035170_100000723523 [0,0,0,1,0,1|2,0,0]=4 706 B16R2.3269 O=c1[nH]cc(cc1O)c2ccccc2Cl 271570a_100011934419_100009814561 [0,0,0,1,0,1|2,0,0]=4 707 B16R2.3269 O=c1[nH]cc(cc1O)c2ccccc2F 271570a_100000761933_100009814561 [0,0,0,1,0,1|2,0,0]=4 708 B16R2.3269 O=c1[nH]cc(cc1O)c2ccccc2I 271570a_100000069755_100009814561 [0,0,0,1,0,1|2,0,0]=4 709 B16R2.3269 O=c1[nH]cc(cc1O)c2ccccc2O 271570a_100000035170_100009814561 [0,0,0,1,0,1|1,0,0]=3 710 B16R2.3269 Oc1cc(ccc1Br)c2ccccc2O 271570a_100000035170_100012356990 [0,0,0,1,0,1|2,0,0]=4 711 B16R2.3269 Oc1cc(ccc1Cl)c2ccccc2O 271570a_100000035170_100011356854 [0,0,0,1,0,1|2,0,0]=4 712 B16R2.3269 Oc1cc(ccc1Cl)c2ccccc2O 271570a_100000099754_100000739446 [0,0,0,1,0,1|2,0,0]=4 713 B16R2.3269 Oc1cc(ccc1F)c2ccccc2O 271570a_100000035170_100000686035 [0,0,0,1,0,1|2,0,0]=4 714 B16R2.3269 Oc1cc(ccc1F)c2ccccc2O 271570a_100010081644_100000739446 [0,0,0,1,0,1|2,0,0]=4 715 B16R2.3269 Oc1cc(ncc1F)c2ccccc2O 271570a_100000035170_100009854642 [0,0,0,1,0,1|2,0,0]=4 716 B16R2.3269 Oc1ccc(cc1O)c2ccccc2O 271570a_100000035170_100009813601 [0,0,0,1,0,1|1,0,1]=4 717 B16R2.3269 Oc1ccccc1c2ccc(c(n2)O)F 271570a_100000035170_100010729010 [0,0,0,1,0,1|2,0,0]=4 718 B16R2.3269 Oc1ccccc1c2cnc(c(c2)O)F 271570a_100000035170_100009819871 [0,0,0,1,0,1|2,0,0]=4 719 B16R2.3269 Oc1ccccc1c2ncc(c(n2)O)F 271570a_100000035170_100011995740 [0,0,0,1,0,1|2,0,0]=4 720 B16R2.3270 CC(=O)c1cc(cs1)c2ccccc2O 271570a_100000035170_100000718618 [0,0,0,1,0,1|2,0,0]=4 721 B16R2.3270 CC(=O)c1ccc([nH]1)c2ccccc2O 271570a_100000035170_200010494458 [0,0,0,1,0,1|2,0,0]=4 722 B16R2.3270 CC(=O)c1ccc(o1)c2ccccc2O 271570a_100000035170_100000229899 [0,0,0,1,0,1|1,0,1]=4 723 B16R2.3270 CC(=O)c1ccc(s1)c2ccccc2O 271570a_100000034324_100000739446 [0,0,0,1,0,1|1,1,0]=4 724 B16R2.3270 CC(=O)c1ccc(s1)c2ccccc2O 271570a_100000035170_100000183331 [0,0,0,1,0,1|1,1,0]=4 725 B16R2.3270 CC(=O)c1cnc(s1)c2ccccc2O 271570a_100000035170_200010173910 [0,0,0,1,0,1|1,1,0]=4 726 B16R2.3270 CC(=O)c1csc(c1)c2ccccc2O 271570a_100000035170_200012344231 [0,0,0,1,0,1|2,0,0]=4 727 B16R2.3270 CC(=O)c1csc(c1)c2ccccc2O 271570a_200010068967_100000739446 [0,0,0,1,0,1|2,0,0]=4 728 B16R2.3270 CC(=O)c1nc(cs1)c2ccccc2O 271570a_100000035170_100010231720 [0,0,0,1,0,1|2,0,0]=4 729 B16R2.3270 CC(=O)c1ncc(s1)c2ccccc2O 271570a_100000035170_100000693680 [0,0,0,1,0,1|1,1,0]=4 730 B16R2.3270 NC(=O)c1cc(c[nH]1)c2ccccc2O 271570a_100000035170_100000229580 [0,0,0,1,0,1|2,0,0]=4 731 B16R2.3270 NC(=O)c1cc(co1)c2ccccc2O 271570a_100000035170_200009817131 [0,0,0,1,0,1|2,0,0]=4 732 B16R2.3270 NC(=O)c1cc(cs1)c2ccccc2O 271570a_100000035170_100009812991 [0,0,0,1,0,1|2,0,0]=4 733 B16R2.3270 NC(=O)c1cc(cs1)c2ccccc2O 271570a_200010144017_100000739446 [0,0,0,1,0,1|2,0,0]=4 734 B16R2.3270 NC(=O)c1ccc(s1)c2ccccc2O 271570a_100000035170_100000162267 [0,0,0,1,0,1|1,1,0]=4 735 B16R2.3270 NC(=O)c1cnc(s1)c2ccccc2O 271570a_100000035170_100010220624 [0,0,0,1,0,1|1,1,0]=4 736 B16R2.3270 NC(=O)c1coc(n1)c2ccccc2O 271570a_100000035170_100009981048 [0,0,0,1,0,1|2,0,0]=4 737 B16R2.3270 NC(=O)c1csc(c1)c2ccccc2O 271570a_100000035170_100000747962 [0,0,0,1,0,1|2,0,0]=4 738 B16R2.3270 NC(=O)c1csc(n1)c2ccccc2O 271570a_100000035170_100010247141 [0,0,0,1,0,1|2,0,0]=4 739 B16R2.4061 CC1=CC(OC1=O)Sc2ccccc2O 62a_100000739446_200009893386 [0,0,0,1,0,1|1,0,1]=4 740 B16R2.4061 CC1=CC(OC1=O)Sc2ccccc2O 62a_200009893386_100000739446 [0,0,0,1,0,1|1,0,1]=4 741 B16R2.126889 CC(=O)c1cc2cccc(c2cc1O)O 1458a_200000029084_200000210301 [0,1,0,1,0,0|2,0,0]=4 742 B16R2.126889 [13CH3]C(=O)c1cc2cccc(c2cc1O)O 1458a_200000029084_200025704644 [0,1,0,1,0,0|2,0,0]=4 743 B16R2.7152 Cc1cc(sc1C=O)c2ccccc2O 271570a_100000035170_100010221198 [0,1,0,1,0,0|1,1,0]=4 744 B16R2.7152 Cc1cc(sc1C=O)c2ccccc2O 271570a_100000061898_100000739446 [0,1,0,1,0,0|1,1,0]=4 745 B16R2.7152 Cc1oc(nc1C=O)c2ccccc2O 271570a_100000035170_200010262729 [0,1,0,1,0,0|2,0,0]=4 746 B16R2.84027 O=C(C=Cc1ccccc1O)C2COC2 1458a_100016263591_100000687716 [0,1,0,1,0,0|1,0,1]=4 747 B16R2.173132 COC(=O)c1ccc2c(cccc2c1)O 271570a_203496583355_100010188500 [0,1,0,1,0,0|1,0,0]=3 748 B16R2.173132 COC(=O)c1ccc2c(cccc2n1)O 271570a_203496583355_100010275744 [0,1,0,1,0,0|1,0,0]=3 749 B16R2.173132 COC(=O)c1ccc2c(ccnc2c1)O 271570a_203496583355_100010143524 [0,1,0,1,0,0|2,0,0]=4 750 B16R2.173132 COC(=O)c1ccc2c(nccc2c1)O 271570a_203496583355_100010291108 [0,1,0,1,0,0|2,0,0]=4 751 B16R2.173132 COC(=O)c1cnc2c(cccc2c1)O 271570a_203496583355_100010124613 [0,1,0,1,0,0|2,0,0]=4 752 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [1,0,0,0,1,0|2,0,0]=4 753 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [1,0,0,0,1,0|2,0,0]=4 754 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [1,0,0,0,1,0|2,0,0]=4 755 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [1,0,0,0,1,0|2,0,0]=4 756 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [1,0,0,0,1,0|2,0,0]=4 757 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [1,0,0,0,1,0|2,0,0]=4 758 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [1,0,0,0,1,0|2,0,0]=4 759 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [1,0,0,0,1,0|2,0,0]=4 760 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [1,0,0,0,1,0|2,0,0]=4 761 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [1,0,0,0,1,0|2,0,0]=4 762 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [1,0,0,0,1,0|1,0,1]=4 763 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [1,0,0,0,1,0|1,0,1]=4 764 B14R1.159 CC(=O)OCC=Cc1ccccc1O 271570a_200000047263_100000739446 [1,0,0,0,0,1|1,0,1]=4 765 B14R1.818 C=C(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000748629 [1,0,0,0,0,1|2,0,0]=4 766 B14R1.818 C=C(F)CC(=O)C=Cc1ccccc1 1458a_100000210462_100009893438 [1,0,0,0,0,1|2,0,0]=4 767 B14R1.818 CC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011218427 [1,0,0,0,0,1|1,0,1]=4 768 B14R1.818 NC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000187820 [1,0,0,0,0,1|1,0,0]=3 769 B14R1.818 NC(=O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000187820 [1,0,0,0,0,1|2,0,0]=4 770 B14R1.818 NC(=O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000187820 [1,0,0,0,0,1|2,0,0]=4 771 B14R1.818 NC(=O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000187820 [1,0,0,0,0,1|2,0,0]=4 772 B14R1.818 O=C(C=Cc1ccccc1)C[N+](=O)[O-] 1458a_100000210462_100000761209 [1,0,0,0,0,1|1,0,1]=4 773 B14R1.818 O=C([O-])CC(=O)C=Cc1ccccc1 1458a_100000210462_100020667443 [1,0,0,0,0,1|0,0,1]=3 774 B14R1.818 O=C([O-])CC(=O)C=Cc1ccccn1 1458a_100000740811_100020667443 [1,0,0,0,0,1|1,0,1]=4 775 B14R1.818 O=C([O-])CC(=O)C=Cc1cccnc1 1458a_100000735890_100020667443 [1,0,0,0,0,1|1,0,1]=4 776 B14R1.818 O=C([O-])CC(=O)C=Cc1ccncc1 1458a_100000682801_100020667443 [1,0,0,0,0,1|1,0,1]=4 777 B16R1.400 C=C(C)CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000730704 [0,0,0,0,0,2|2,0,0]=4 778 B16R1.400 CC(=CCC(=O)C=Cc1ccccc1O)C 1458a_100016263591_100000761012 [0,0,0,0,0,2|2,0,0]=4 779 B16R1.400 CC(=O)NNC(=O)C=Cc1ccccc1Br 22a_100000189765_100000719032 [0,0,0,0,0,2|2,0,0]=4 780 B16R1.400 CC(=O)NNC(=O)C=Cc1ccccc1C 22a_100000189765_100016266485 [0,0,0,0,0,2|2,0,0]=4 781 B16R1.400 CC(=O)NNC(=O)C=Cc1ccccc1Cl 22a_100000189765_100000720304 [0,0,0,0,0,2|2,0,0]=4 782 B16R1.400 CC(=O)NNC(=O)C=Cc1ccccc1F 22a_100000189765_100016256065 [0,0,0,0,0,2|2,0,0]=4 783 B16R1.400 CC(=O)NNC(=O)C=Cc1ccccc1O 22a_100000189765_100016263591 [0,0,0,0,0,2|1,0,0]=3 784 B16R1.400 CC(O)CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100012276601 [0,0,0,0,0,2|1,0,1]=4 785 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1Br 11a_100000711301_100000719032 [0,0,0,0,0,2|2,0,0]=4 786 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1Br 240690a_100000711301_100000719032 [0,0,0,0,0,2|2,0,0]=4 787 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1Cl 11a_100000711301_100000720304 [0,0,0,0,0,2|2,0,0]=4 788 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1Cl 240690a_100000711301_100000720304 [0,0,0,0,0,2|2,0,0]=4 789 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1F 11a_100000711301_100016256065 [0,0,0,0,0,2|2,0,0]=4 790 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1F 240690a_100000711301_100016256065 [0,0,0,0,0,2|2,0,0]=4