0 B20R2.91 CCc1ccc(cc1)C=NNC(=O)c2ccccc2 4a_100000184135_100000211036 [1,0,0,0,0,0|1,0,2]=4 1 B20R2.91 CCc1ccc(cc1)CNCC(C)c2ccccc2 207a_100000701038_100000211036 [1,0,0,0,0,0|1,0,2]=4 2 B20R2.91 CCc1ccc(cc1)CNCC(C)c2ccccc2 2230a_100000701038_100000747183 [1,0,0,0,0,0|1,0,2]=4 3 B20R2.91 CCc1ccc(cc1)CNCC(C)c2ccccc2 2230a_100000721222_100000756946 [1,0,0,0,0,0|1,0,2]=4 4 B20R2.91 CCc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000701038_100000211036 [1,0,0,0,0,0|1,0,2]=4 5 B20R2.91 CCc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000721222_100000212034 [1,0,0,0,0,0|1,0,2]=4 6 B20R2.91 CCc1ccc(cc1)CNCC(C)c2ccccc2 34a_100000701038_100000747183 [1,0,0,0,0,0|1,0,2]=4 7 B20R2.91 CCc1ccc(cc1)CNCC(C)c2ccccc2 34a_100000721222_100000756946 [1,0,0,0,0,0|1,0,2]=4 8 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000211036 [1,0,0,0,0,0|0,0,2]=3 9 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100000747183 [1,0,0,0,0,0|0,0,2]=3 10 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000721222_100000185958 [1,0,0,0,0,0|0,0,2]=3 11 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000211036 [1,0,0,0,0,0|0,0,2]=3 12 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000721222_100000185958 [1,0,0,0,0,0|0,0,2]=3 13 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccn2 207a_100000691469_100000211036 [1,0,0,0,0,0|1,0,2]=4 14 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccn2 2230a_100000691469_100000747183 [1,0,0,0,0,0|1,0,2]=4 15 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccn2 270004a_100000691469_100000211036 [1,0,0,0,0,0|1,0,2]=4 16 B20R2.91 CCc1ccc(cc1)CNCC(O)c2cccnc2 207a_100020605170_100000211036 [1,0,0,0,0,0|1,0,2]=4 17 B20R2.91 CCc1ccc(cc1)CNCC(O)c2cccnc2 2230a_100020605170_100000747183 [1,0,0,0,0,0|1,0,2]=4 18 B20R2.91 CCc1ccc(cc1)CNCC(O)c2cccnc2 270004a_100020605170_100000211036 [1,0,0,0,0,0|1,0,2]=4 19 B20R2.91 CCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100000721222_100011933945 [1,0,0,0,0,0|0,0,2]=3 20 B20R2.91 CCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000721222_100011933945 [1,0,0,0,0,0|0,0,2]=3 21 B20R2.91 CCc1ccc(cc1)COCC(C)c2ccccc2 34a_100000702245_100000756946 [1,0,0,0,0,0|2,0,1]=4 22 B20R2.91 CCc1ccc(cc1)COCC(C)c2ccccc2 34a_100011215166_100000747183 [1,0,0,0,0,0|2,0,1]=4 23 B20R2.91 CCc1ccc(cc1)COCC(C)c2ccccc2 7a_100000702245_100000756946 [1,0,0,0,0,0|2,0,1]=4 24 B20R2.91 CCc1ccc(cc1)COCC(C)c2ccccc2 7a_100011215166_100000747183 [1,0,0,0,0,0|2,0,1]=4 25 B20R2.91 CCc1ccc(cc1)COCC(O)c2ccccc2 34a_100000702245_100000185958 [1,0,0,0,0,0|1,0,1]=3 26 B20R2.91 CCc1ccc(cc1)COCC(O)c2ccccc2 7a_100000702245_100000185958 [1,0,0,0,0,0|1,0,1]=3 27 B20R2.91 CCc1ccc(cc1)COC[C@@H](N)c2ccccc2 34a_100000751927_100000747183 [1,0,0,0,0,0|2,0,1]=4 28 B20R2.91 CCc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100000702245_100011933945 [1,0,0,0,0,0|1,0,1]=3 29 B20R2.91 CCc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_100000702245_100011933945 [1,0,0,0,0,0|1,0,1]=3 30 B20R2.91 CCc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100000747183 [1,0,0,0,0,0|1,0,1]=3 31 B20R2.91 CCc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000757233_100000185958 [1,0,0,0,0,0|1,0,1]=3 32 B20R2.91 CCc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100000757233_100011933945 [1,0,0,0,0,0|1,0,1]=3 33 B20R2.91 CCc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000747183 [1,0,0,0,0,0|1,0,1]=3 34 B20R2.91 CCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100000211069_100000729684 [1,0,0,0,0,0|2,0,0]=3 35 B20R2.91 CCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000211069_100000729684 [1,0,0,0,0,0|2,0,0]=3 36 B20R2.91 CCc1ccc(cc1)NN=CC(C)c2ccccc2 4a_100015204395_100000212034 [1,0,0,0,0,0|2,0,1]=4 37 B20R2.91 CCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000211359_100000729684 [1,0,0,0,0,0|2,0,0]=3 38 B20R2.91 CCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100000211359_100000729684 [1,0,0,0,0,0|2,0,0]=3 39 B20R2.91 CCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011215824 [1,0,0,0,0,0|2,0,0]=3 40 B20R2.91 CCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100011215824_100000729684 [1,0,0,0,0,0|2,0,0]=3 41 B20R2.91 CCc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100009820025 [1,0,0,0,0,0|3,0,0]=4 42 B20R2.91 CCc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100009820025_100000729684 [1,0,0,0,0,0|3,0,0]=4 43 B20R2.91 CCc1ccc(nc1)CNCC(O)c2ccccc2 207a_100000210709_100000069529 [1,0,0,0,0,0|1,0,2]=4 44 B20R2.91 CCc1ccc(nc1)CNCC(O)c2ccccc2 2230a_100000069493_100000185958 [1,0,0,0,0,0|1,0,2]=4 45 B20R2.91 CCc1ccc(nc1)CNCC(O)c2ccccc2 270004a_100000210709_100000069529 [1,0,0,0,0,0|1,0,2]=4 46 B20R2.91 CCc1ccc(nc1)CNCC(O)c2ccccc2 34a_100000069493_100000185958 [1,0,0,0,0,0|1,0,2]=4 47 B20R2.91 CCc1ccc(nc1)CNC[C@@H](O)c2ccccc2 2230a_100000069493_100011933945 [1,0,0,0,0,0|1,0,2]=4 48 B20R2.91 CCc1ccc(nc1)CNC[C@@H](O)c2ccccc2 34a_100000069493_100011933945 [1,0,0,0,0,0|1,0,2]=4 49 B20R2.91 CCc1ccc(nc1)COCC(O)c2ccccc2 34a_100000068455_100000185958 [1,0,0,0,0,0|2,0,1]=4 50 B20R2.91 CCc1ccc(nc1)COC[C@@H](O)c2ccccc2 34a_100000068455_100011933945 [1,0,0,0,0,0|2,0,1]=4 51 B20R2.91 CCc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100009843584 [1,0,0,0,0,0|3,0,0]=4 52 B20R2.91 CCc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100009843584_100000729684 [1,0,0,0,0,0|3,0,0]=4 53 B20R2.91 CNc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000182112_100000729684 [1,0,0,0,0,0|3,0,0]=4 54 B20R2.91 CNc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000743151 [1,0,0,0,0,0|3,0,0]=4 55 B20R2.91 CNc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000743151_100000729684 [1,0,0,0,0,0|3,0,0]=4 56 B20R2.91 COc1ccc(cc1)C=NNC(=O)c2ccccc2 4a_100000184135_100000169835 [1,0,0,0,0,0|1,0,2]=4 57 B20R2.91 COc1ccc(cc1)CNCC(C)c2ccccc2 207a_100000701038_100000169835 [1,0,0,0,0,0|1,0,2]=4 58 B20R2.91 COc1ccc(cc1)CNCC(C)c2ccccc2 2230a_100000701038_100000742318 [1,0,0,0,0,0|1,0,2]=4 59 B20R2.91 COc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000185587_100000212034 [1,0,0,0,0,0|1,0,2]=4 60 B20R2.91 COc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000701038_100000169835 [1,0,0,0,0,0|1,0,2]=4 61 B20R2.91 COc1ccc(cc1)CNCC(C)c2ccccc2 34a_100000185587_100000756946 [1,0,0,0,0,0|1,0,2]=4 62 B20R2.91 COc1ccc(cc1)CNCC(C)c2ccccc2 34a_100000701038_100000742318 [1,0,0,0,0,0|1,0,2]=4 63 B20R2.91 COc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000169835 [1,0,0,0,0,0|0,0,2]=3 64 B20R2.91 COc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100000742318 [1,0,0,0,0,0|0,0,2]=3 65 B20R2.91 COc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000169835 [1,0,0,0,0,0|0,0,2]=3 66 B20R2.91 COc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000185587_100000185958 [1,0,0,0,0,0|0,0,2]=3 67 B20R2.91 COc1ccc(cc1)CNCC(O)c2ccccn2 207a_100000691469_100000169835 [1,0,0,0,0,0|1,0,2]=4 68 B20R2.91 COc1ccc(cc1)CNCC(O)c2ccccn2 2230a_100000691469_100000742318 [1,0,0,0,0,0|1,0,2]=4 69 B20R2.91 COc1ccc(cc1)CNCC(O)c2ccccn2 270004a_100000691469_100000169835 [1,0,0,0,0,0|1,0,2]=4 70 B20R2.91 COc1ccc(cc1)CNCC(O)c2cccnc2 207a_100020605170_100000169835 [1,0,0,0,0,0|1,0,2]=4 71 B20R2.91 COc1ccc(cc1)CNCC(O)c2cccnc2 2230a_100020605170_100000742318 [1,0,0,0,0,0|1,0,2]=4 72 B20R2.91 COc1ccc(cc1)CNCC(O)c2cccnc2 270004a_100020605170_100000169835 [1,0,0,0,0,0|1,0,2]=4 73 B20R2.91 COc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000185587_100011933945 [1,0,0,0,0,0|0,0,2]=3 74 B20R2.91 COc1ccc(cc1)COCC(C)c2ccccc2 34a_100000173359_100000756946 [1,0,0,0,0,0|2,0,1]=4 75 B20R2.91 COc1ccc(cc1)COCC(C)c2ccccc2 34a_100011215166_100000742318 [1,0,0,0,0,0|2,0,1]=4 76 B20R2.91 COc1ccc(cc1)COCC(C)c2ccccc2 7a_100011215166_100000742318 [1,0,0,0,0,0|2,0,1]=4 77 B20R2.91 COc1ccc(cc1)COCC(O)c2ccccc2 34a_100000173359_100000185958 [1,0,0,0,0,0|1,0,1]=3 78 B20R2.91 COc1ccc(cc1)COC[C@@H](N)c2ccccc2 34a_100000751927_100000742318 [1,0,0,0,0,0|2,0,1]=4 79 B20R2.91 COc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100000173359_100011933945 [1,0,0,0,0,0|1,0,1]=3 80 B20R2.91 COc1ccc(cc1)CSCC(C)c2ccccc2 62a_100000756946_100000742318 [1,0,0,0,0,0|2,0,1]=4 81 B20R2.91 COc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100000742318 [1,0,0,0,0,0|1,0,1]=3 82 B20R2.91 COc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000742318 [1,0,0,0,0,0|1,0,1]=3 83 B20R2.91 COc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000184247_100000729684 [1,0,0,0,0,0|2,0,0]=3 84 B20R2.91 COc1ccc(cc1)NN=CC(C)c2ccccc2 4a_100000005221_100000212034 [1,0,0,0,0,0|2,0,1]=4 85 B20R2.91 COc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000210503_100000729684 [1,0,0,0,0,0|2,0,0]=3 86 B20R2.91 COc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000171711 [1,0,0,0,0,0|2,0,0]=3 87 B20R2.91 COc1ccc(cn1)CNCC(O)c2ccccc2 207a_100000210709_100000761633 [1,0,0,0,0,0|1,0,2]=4 88 B20R2.91 COc1ccc(cn1)CNCC(O)c2ccccc2 2230a_100000210709_100020631284 [1,0,0,0,0,0|1,0,2]=4 89 B20R2.91 COc1ccc(cn1)CNCC(O)c2ccccc2 2230a_100000241975_100000185958 [1,0,0,0,0,0|1,0,2]=4 90 B20R2.91 COc1ccc(cn1)CNCC(O)c2ccccc2 270004a_100000210709_100000761633 [1,0,0,0,0,0|1,0,2]=4 91 B20R2.91 COc1ccc(cn1)CNC[C@@H](O)c2ccccc2 2230a_100000241975_100011933945 [1,0,0,0,0,0|1,0,2]=4 92 B20R2.91 COc1ccc(cn1)COCC(O)c2ccccc2 34a_100000763316_100000185958 [1,0,0,0,0,0|2,0,1]=4 93 B20R2.91 COc1ccc(cn1)COC[C@@H](O)c2ccccc2 34a_100000763316_100011933945 [1,0,0,0,0,0|2,0,1]=4 94 B20R2.91 COc1ccc(cn1)CSCC(O)c2ccccc2 62a_100000185958_100020631284 [1,0,0,0,0,0|2,0,1]=4 95 B20R2.91 COc1ccc(cn1)CSCC(O)c2ccccc2 62a_100020631284_100000185958 [1,0,0,0,0,0|2,0,1]=4 96 B20R2.91 COc1ccc(cn1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100020631284 [1,0,0,0,0,0|2,0,1]=4 97 B20R2.91 COc1ccc(cn1)CSC[C@@H](O)c2ccccc2 62a_100020631284_100011933945 [1,0,0,0,0,0|2,0,1]=4 98 B20R2.91 COc1ccc(cn1)OCC[C@@H](O)c2ccccc2 34a_100011934560_100000729684 [1,0,0,0,0,0|3,0,0]=4 99 B20R2.91 COc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000047065_100000729684 [1,0,0,0,0,0|3,0,0]=4 100 B20R2.91 COc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000047065 [1,0,0,0,0,0|3,0,0]=4 101 B20R2.91 COc1ccc(nc1)CNCC(O)c2ccccc2 207a_100000210709_100000701244 [1,0,0,0,0,0|1,0,2]=4 102 B20R2.91 COc1ccc(nc1)CNCC(O)c2ccccc2 2230a_100000210709_200000757186 [1,0,0,0,0,0|1,0,2]=4 103 B20R2.91 COc1ccc(nc1)CNCC(O)c2ccccc2 270004a_100000210709_100000701244 [1,0,0,0,0,0|1,0,2]=4 104 B20R2.91 COc1ccc(nc1)CNCC(O)c2ccccc2 34a_100000703904_100000185958 [1,0,0,0,0,0|1,0,2]=4 105 B20R2.91 COc1ccc(nc1)CNC[C@@H](O)c2ccccc2 34a_100000703904_100011933945 [1,0,0,0,0,0|1,0,2]=4 106 B20R2.91 COc1ccc(nc1)COCC(O)c2ccccc2 34a_100011998694_100000185958 [1,0,0,0,0,0|2,0,1]=4 107 B20R2.91 COc1ccc(nc1)COC[C@@H](O)c2ccccc2 34a_100011998694_100011933945 [1,0,0,0,0,0|2,0,1]=4 108 B20R2.91 COc1ccc(nc1)CSCC(O)c2ccccc2 62a_100000185958_200000757186 [1,0,0,0,0,0|2,0,1]=4 109 B20R2.91 COc1ccc(nc1)CSCC(O)c2ccccc2 62a_200000757186_100000185958 [1,0,0,0,0,0|2,0,1]=4 110 B20R2.91 COc1ccc(nc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_200000757186 [1,0,0,0,0,0|2,0,1]=4 111 B20R2.91 COc1ccc(nc1)CSC[C@@H](O)c2ccccc2 62a_200000757186_100011933945 [1,0,0,0,0,0|2,0,1]=4 112 B20R2.91 COc1ccc(nc1)OCC[C@@H](O)c2ccccc2 34a_100012002028_100000729684 [1,0,0,0,0,0|3,0,0]=4 113 B20R2.91 COc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000744180 [1,0,0,0,0,0|3,0,0]=4 114 B20R2.91 COc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000755202_100000729684 [1,0,0,0,0,0|3,0,0]=4 115 B20R2.91 CSc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000211154 [1,0,0,0,0,0|0,1,2]=4 116 B20R2.91 CSc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000174980_100000185958 [1,0,0,0,0,0|0,1,2]=4 117 B20R2.91 CSc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100000181263 [1,0,0,0,0,0|0,1,2]=4 118 B20R2.91 CSc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000211154 [1,0,0,0,0,0|0,1,2]=4 119 B20R2.91 CSc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000174980_100000185958 [1,0,0,0,0,0|0,1,2]=4 120 B20R2.91 CSc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100000174980_100011933945 [1,0,0,0,0,0|0,1,2]=4 121 B20R2.91 CSc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000174980_100011933945 [1,0,0,0,0,0|0,1,2]=4 122 B20R2.91 CSc1ccc(cc1)COCC(O)c2ccccc2 34a_100011215404_100000185958 [1,0,0,0,0,0|1,1,1]=4 123 B20R2.91 CSc1ccc(cc1)COCC(O)c2ccccc2 7a_100011215404_100000185958 [1,0,0,0,0,0|1,1,1]=4 124 B20R2.91 CSc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100011215404_100011933945 [1,0,0,0,0,0|1,1,1]=4 125 B20R2.91 CSc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_100011215404_100011933945 [1,0,0,0,0,0|1,1,1]=4 126 B20R2.91 CSc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000181263_100000185958 [1,0,0,0,0,0|1,1,1]=4 127 B20R2.91 CSc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100000181263 [1,0,0,0,0,0|1,1,1]=4 128 B20R2.91 CSc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100000181263_100011933945 [1,0,0,0,0,0|1,1,1]=4 129 B20R2.91 CSc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000181263 [1,0,0,0,0,0|1,1,1]=4 130 B20R2.91 CSc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000212337_100000729684 [1,0,0,0,0,0|2,1,0]=4 131 B20R2.91 CSc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000211864_100000729684 [1,0,0,0,0,0|2,1,0]=4 132 B20R2.91 CSc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011263217 [1,0,0,0,0,0|2,1,0]=4 133 B20R2.91 CSc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100011263217_100000729684 [1,0,0,0,0,0|2,1,0]=4 134 B20R2.91 NCc1ccc(cc1)COCC(O)c2ccccc2 34a_100015189231_100000185958 [1,0,0,0,0,0|2,0,1]=4 135 B20R2.91 NCc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100015189231_100011933945 [1,0,0,0,0,0|2,0,1]=4 136 B20R2.91 NCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000185549_100000729684 [1,0,0,0,0,0|3,0,0]=4 137 B20R2.91 NCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100016989417 [1,0,0,0,0,0|3,0,0]=4 138 B20R2.91 NCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100016989417_100000729684 [1,0,0,0,0,0|3,0,0]=4 139 B20R2.91 OC(COCc1ccc(cc1)CBr)c2ccccc2 34a_100012353999_100000185958 [1,0,0,0,0,0|2,0,1]=4 140 B20R2.91 OC(COCc1ccc(cc1)CBr)c2ccccc2 7a_100012353999_100000185958 [1,0,0,0,0,0|2,0,1]=4 141 B20R2.91 OC(COCc1ccc(cc1)CCl)c2ccccc2 34a_100000067286_100000185958 [1,0,0,0,0,0|2,0,1]=4 142 B20R2.91 OC(COCc1ccc(cc1)CCl)c2ccccc2 7a_100000067286_100000185958 [1,0,0,0,0,0|2,0,1]=4 143 B20R2.91 OCc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100009832023 [1,0,0,0,0,0|1,0,2]=4 144 B20R2.91 OCc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100000067286 [1,0,0,0,0,0|1,0,2]=4 145 B20R2.91 OCc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100015189231_100000185958 [1,0,0,0,0,0|1,0,2]=4 146 B20R2.91 OCc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100009832023 [1,0,0,0,0,0|1,0,2]=4 147 B20R2.91 OCc1ccc(cc1)CNCC(O)c2ccccc2 34a_100015189231_100000185958 [1,0,0,0,0,0|1,0,2]=4 148 B20R2.91 OCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100015189231_100011933945 [1,0,0,0,0,0|1,0,2]=4 149 B20R2.91 OCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100015189231_100011933945 [1,0,0,0,0,0|1,0,2]=4 150 B20R2.91 OCc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000067286_100000185958 [1,0,0,0,0,0|2,0,1]=4 151 B20R2.91 OCc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100000067286 [1,0,0,0,0,0|2,0,1]=4 152 B20R2.91 OCc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100000067286_100011933945 [1,0,0,0,0,0|2,0,1]=4 153 B20R2.91 OCc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000067286 [1,0,0,0,0,0|2,0,1]=4 154 B20R2.91 OCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100011215238_100000729684 [1,0,0,0,0,0|3,0,0]=4 155 B20R2.91 OCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100011215238_100000729684 [1,0,0,0,0,0|3,0,0]=4 156 B20R2.91 OCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000211755_100000729684 [1,0,0,0,0,0|3,0,0]=4 157 B20R2.91 OCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000690907_100000729684 [1,0,0,0,0,0|3,0,0]=4 158 B20R2.91 OCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000690907 [1,0,0,0,0,0|3,0,0]=4 159 B20R2.91 O[C@H](CCSc1ccc(cc1)CF)c2ccccc2 62a_100000729684_100010268989 [1,0,0,0,0,0|3,0,0]=4 160 B20R2.91 O[C@H](CCSc1ccc(cc1)CF)c2ccccc2 62a_100010268989_100000729684 [1,0,0,0,0,0|3,0,0]=4 161 B20R2.91 O[C@H](COCc1ccc(cc1)CBr)c2ccccc2 34a_100012353999_100011933945 [1,0,0,0,0,0|2,0,1]=4 162 B20R2.91 O[C@H](COCc1ccc(cc1)CBr)c2ccccc2 7a_100012353999_100011933945 [1,0,0,0,0,0|2,0,1]=4 163 B20R2.91 O[C@H](COCc1ccc(cc1)CCl)c2ccccc2 34a_100000067286_100011933945 [1,0,0,0,0,0|2,0,1]=4 164 B20R2.91 O[C@H](COCc1ccc(cc1)CCl)c2ccccc2 7a_100000067286_100011933945 [1,0,0,0,0,0|2,0,1]=4 165 B20R2.4584 CCCc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000229940 [1,0,0,0,0,0|2,0,0]=3 166 B20R2.4584 CCCc1ccc(cc1)C=NNCc2ccccn2 4a_100000736832_100000229940 [1,0,0,0,0,0|3,0,0]=4 167 B20R2.4584 CCCc1ccc(cc1)C=NNCc2cccnc2 4a_100000738295_100000229940 [1,0,0,0,0,0|3,0,0]=4 168 B20R2.4584 CCCc1ccc(cc1)C=NNCc2ccncc2 4a_100000736929_100000229940 [1,0,0,0,0,0|3,0,0]=4 169 B20R2.4584 CCCc1ccc(cc1)CNCCc2ccccc2 207a_100000106460_100000229940 [1,0,0,0,0,0|1,0,2]=4 170 B20R2.4584 CCCc1ccc(cc1)CNCCc2ccccc2 2230a_100000106460_100011982809 [1,0,0,0,0,0|1,0,2]=4 171 B20R2.4584 CCCc1ccc(cc1)CNCCc2ccccc2 2230a_100020632977_100000765856 [1,0,0,0,0,0|1,0,2]=4 172 B20R2.4584 CCCc1ccc(cc1)CNCCc2ccccc2 270004a_100000106460_100000229940 [1,0,0,0,0,0|1,0,2]=4 173 B20R2.4584 CCCc1ccc(cc1)CNCCc2ccccc2 34a_100000106460_100011982809 [1,0,0,0,0,0|1,0,2]=4 174 B20R2.4584 CCCc1ccc(cc1)CNCCc2ccccc2 34a_100020632977_100000765856 [1,0,0,0,0,0|1,0,2]=4 175 B20R2.4584 CCCc1ccc(cc1)COCCc2ccccc2 34a_100000210268_100011982809 [1,0,0,0,0,0|2,0,1]=4 176 B20R2.4584 CCCc1ccc(cc1)COCCc2ccccc2 7a_100000210268_100011982809 [1,0,0,0,0,0|2,0,1]=4 177 B20R2.4584 CCCc1ccc(cc1)NCCCc2ccccc2 2230a_100000211780_100000211621 [1,0,0,0,0,0|3,0,0]=4 178 B20R2.4584 CCCc1ccc(cc1)NCCCc2ccccc2 34a_100000211780_100000211621 [1,0,0,0,0,0|3,0,0]=4 179 B20R2.4584 CCCc1ccc(cc1)NN=CCc2ccccc2 4a_100015306804_100000209964 [1,0,0,0,0,0|2,0,1]=4 180 B20R2.4584 CCCc1ccc(cc1)OCCCc2ccccc2 34a_100000749406_100000211621 [1,0,0,0,0,0|3,0,0]=4 181 B20R2.4584 CCCc1ccc(cc1)OCCCc2ccccc2 7a_100000749406_100000211621 [1,0,0,0,0,0|3,0,0]=4 182 B20R2.4584 CCNc1ccc(cc1)OCCCc2ccccc2 2230a_200000510014_100000210202 [1,0,0,0,0,0|3,0,0]=4 183 B20R2.4584 CCNc1ccc(cc1)OCCCc2ccccc2 34a_100011337800_100000211621 [1,0,0,0,0,0|3,0,0]=4 184 B20R2.4584 CCNc1ccc(cc1)OCCCc2ccccc2 34a_200000510014_100000210202 [1,0,0,0,0,0|3,0,0]=4 185 B20R2.4584 CCNc1ccc(cc1)OCCCc2ccccc2 7a_100011337800_100000211621 [1,0,0,0,0,0|3,0,0]=4 186 B20R2.4584 CCNc1ccc(cc1)OCCCc2ccccc2 7a_200000510014_100000210202 [1,0,0,0,0,0|3,0,0]=4 187 B20R2.4584 CCNc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100000219632 [1,0,0,0,0,0|3,0,0]=4 188 B20R2.4584 CCOc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000169836 [1,0,0,0,0,0|1,0,0]=2 189 B20R2.4584 CCOc1ccc(cc1)C=NNCc2ccccn2 4a_100000736832_100000169836 [1,0,0,0,0,0|2,0,0]=3 190 B20R2.4584 CCOc1ccc(cc1)C=NNCc2cccnc2 4a_100000738295_100000169836 [1,0,0,0,0,0|2,0,0]=3 191 B20R2.4584 CCOc1ccc(cc1)C=NNCc2ccncc2 4a_100000736929_100000169836 [1,0,0,0,0,0|2,0,0]=3 192 B20R2.4584 CCOc1ccc(cc1)CCNCc2ccccc2 207a_100011194255_100015611070 [1,0,0,0,0,0|2,0,1]=4 193 B20R2.4584 CCOc1ccc(cc1)CCNCc2ccccc2 2230a_100011194255_100015291786 [1,0,0,0,0,0|2,0,1]=4 194 B20R2.4584 CCOc1ccc(cc1)CCNCc2ccccc2 270004a_100011194255_100015611070 [1,0,0,0,0,0|2,0,1]=4 195 B20R2.4584 CCOc1ccc(cc1)CCNCc2ccccc2 34a_100011194255_100015291786 [1,0,0,0,0,0|2,0,1]=4 196 B20R2.4584 CCOc1ccc(cc1)CCOCc2ccccc2 34a_100011217992_100015291786 [1,0,0,0,0,0|2,0,1]=4 197 B20R2.4584 CCOc1ccc(cc1)CCOCc2ccccc2 7a_100011217992_100000211182 [1,0,0,0,0,0|2,0,1]=4 198 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccccc2 207a_100000106460_100000169836 [1,0,0,0,0,0|0,0,2]=3 199 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccccc2 2230a_100000185588_100000765856 [1,0,0,0,0,0|0,0,2]=3 200 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccccc2 270004a_100000106460_100000169836 [1,0,0,0,0,0|0,0,2]=3 201 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccccc2 34a_100000185588_100000765856 [1,0,0,0,0,0|0,0,2]=3 202 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccccn2 207a_100000211156_100000169836 [1,0,0,0,0,0|1,0,2]=4 203 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccccn2 2230a_100000185588_100015183660 [1,0,0,0,0,0|1,0,2]=4 204 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccccn2 270004a_100000211156_100000169836 [1,0,0,0,0,0|1,0,2]=4 205 B20R2.4584 CCOc1ccc(cc1)CNCCc2cccnc2 207a_100000736294_100000169836 [1,0,0,0,0,0|1,0,2]=4 206 B20R2.4584 CCOc1ccc(cc1)CNCCc2cccnc2 2230a_100000185588_200011713674 [1,0,0,0,0,0|1,0,2]=4 207 B20R2.4584 CCOc1ccc(cc1)CNCCc2cccnc2 270004a_100000736294_100000169836 [1,0,0,0,0,0|1,0,2]=4 208 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccncc2 207a_100000742849_100000169836 [1,0,0,0,0,0|1,0,2]=4 209 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccncc2 2230a_100000185588_100000723409 [1,0,0,0,0,0|1,0,2]=4 210 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccncc2 270004a_100000742849_100000169836 [1,0,0,0,0,0|1,0,2]=4 211 B20R2.4584 CCOc1ccc(cc1)CNCSc2ccccc2 2230a_100000185588_100011218342 [1,0,0,0,0,0|1,0,2]=4 212 B20R2.4584 CCOc1ccc(cc1)COCCc2ccccc2 34a_100000173027_100000765856 [1,0,0,0,0,0|1,0,1]=3 213 B20R2.4584 CCOc1ccc(cc1)COCCc2ccccc2 7a_100000173027_100000765856 [1,0,0,0,0,0|1,0,1]=3 214 B20R2.4584 CCOc1ccc(cc1)COCCc2ccccn2 7a_100000173027_100015183660 [1,0,0,0,0,0|2,0,1]=4 215 B20R2.4584 CCOc1ccc(cc1)COCCc2cccnc2 7a_100000173027_200011713674 [1,0,0,0,0,0|2,0,1]=4 216 B20R2.4584 CCOc1ccc(cc1)COCCc2ccncc2 7a_100000173027_100000723409 [1,0,0,0,0,0|2,0,1]=4 217 B20R2.4584 CCOc1ccc(cc1)NCCCc2ccccc2 2230a_100000739623_100000211621 [1,0,0,0,0,0|2,0,0]=3 218 B20R2.4584 CCOc1ccc(cc1)NCCCc2ccccc2 34a_100000739623_100000211621 [1,0,0,0,0,0|2,0,0]=3 219 B20R2.4584 CCOc1ccc(cc1)NCCOc2ccccc2 2230a_100000739623_100000184471 [1,0,0,0,0,0|3,0,0]=4 220 B20R2.4584 CCOc1ccc(cc1)NCCOc2ccccc2 34a_100000739623_100000184471 [1,0,0,0,0,0|3,0,0]=4 221 B20R2.4584 CCOc1ccc(cc1)NCCSc2ccccc2 2230a_100000739623_100000246102 [1,0,0,0,0,0|3,0,0]=4 222 B20R2.4584 CCOc1ccc(cc1)NCCSc2ccccc2 34a_100000739623_100000246102 [1,0,0,0,0,0|3,0,0]=4 223 B20R2.4584 CCOc1ccc(cc1)NCOCc2ccccc2 2230a_100000739623_100000763385 [1,0,0,0,0,0|3,0,0]=4 224 B20R2.4584 CCOc1ccc(cc1)NCOCc2ccccc2 34a_100000739623_100000763385 [1,0,0,0,0,0|3,0,0]=4 225 B20R2.4584 CCOc1ccc(cc1)NCSCc2ccccc2 2230a_100000739623_200011217039 [1,0,0,0,0,0|3,0,0]=4 226 B20R2.4584 CCOc1ccc(cc1)NCSCc2ccccc2 34a_100000739623_200011217039 [1,0,0,0,0,0|3,0,0]=4 227 B20R2.4584 CCOc1ccc(cc1)NN=CCc2ccccc2 4a_100000738955_100000209964 [1,0,0,0,0,0|1,0,1]=3 228 B20R2.4584 CCOc1ccc(cc1)OCCCc2ccccc2 34a_100000185467_100000211621 [1,0,0,0,0,0|2,0,0]=3 229 B20R2.4584 CCOc1ccc(cc1)OCCNc2ccccc2 34a_100000106764_100000183166 [1,0,0,0,0,0|3,0,0]=4 230 B20R2.4584 CCOc1ccc(cc1)OCCOc2ccccc2 34a_100000185467_100000184471 [1,0,0,0,0,0|3,0,0]=4 231 B20R2.4584 CCOc1ccc(cc1)OCCOc2ccccc2 34a_100000210340_100000183166 [1,0,0,0,0,0|3,0,0]=4 232 B20R2.4584 CCOc1ccc(cc1)OCCOc2ccccc2 7a_100000210340_100000183166 [1,0,0,0,0,0|3,0,0]=4 233 B20R2.4584 CCOc1ccc(cc1)OCCSc2ccccc2 34a_100000185467_100000246102 [1,0,0,0,0,0|3,0,0]=4 234 B20R2.4584 CCOc1ccc(cc1)OCCSc2ccccc2 62a_100000183166_100000041952 [1,0,0,0,0,0|3,0,0]=4 235 B20R2.4584 CCOc1ccc(cc1)OCCSc2ccccc2 62a_100000719477_100000183166 [1,0,0,0,0,0|3,0,0]=4 236 B20R2.4584 CCOc1ccc(cc1)OCOCc2ccccc2 34a_100000185467_100000763385 [1,0,0,0,0,0|3,0,0]=4 237 B20R2.4584 CCOc1ccc(cc1)OCSCc2ccccc2 34a_100000185467_200011217039 [1,0,0,0,0,0|3,0,0]=4 238 B20R2.4584 CCOc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100000171712 [1,0,0,0,0,0|2,0,0]=3 239 B20R2.4584 CCOc1ccc(cc1)SCCOc2ccccc2 62a_100000184471_100000171712 [1,0,0,0,0,0|3,0,0]=4 240 B20R2.4584 CCOc1ccc(cc1)SCCSc2ccccc2 62a_100000246102_100000171712 [1,0,0,0,0,0|3,0,0]=4 241 B20R2.4584 CCOc1ccc(cc1)SCOCc2ccccc2 62a_100000763385_100000171712 [1,0,0,0,0,0|3,0,0]=4 242 B20R2.4584 CCOc1ccc(cn1)C=NNCc2ccccc2 4a_100000007032_100012002837 [1,0,0,0,0,0|2,0,0]=3 243 B20R2.4584 CCOc1ccc(cn1)C=NNCc2ccccn2 4a_100000736832_100012002837 [1,0,0,0,0,0|3,0,0]=4 244 B20R2.4584 CCOc1ccc(cn1)C=NNCc2cccnc2 4a_100000738295_100012002837 [1,0,0,0,0,0|3,0,0]=4 245 B20R2.4584 CCOc1ccc(cn1)C=NNCc2ccncc2 4a_100000736929_100012002837 [1,0,0,0,0,0|3,0,0]=4 246 B20R2.4584 CCOc1ccc(cn1)CNCCc2ccccc2 207a_100000106460_100012002837 [1,0,0,0,0,0|1,0,2]=4 247 B20R2.4584 CCOc1ccc(cn1)CNCCc2ccccc2 2230a_100102710506_100000765856 [1,0,0,0,0,0|1,0,2]=4 248 B20R2.4584 CCOc1ccc(cn1)CNCCc2ccccc2 270004a_100000106460_100012002837 [1,0,0,0,0,0|1,0,2]=4 249 B20R2.4584 CCOc1ccc(cn1)SCCCc2ccccc2 62a_100000211621_100011219444 [1,0,0,0,0,0|3,0,0]=4 250 B20R2.4584 CCOc1ccc(cn1)SCCCc2ccccc2 62a_100011219444_100000211621 [1,0,0,0,0,0|3,0,0]=4 251 B20R2.4584 CCOc1ccc(nc1)COCCc2ccccc2 34a_200012645146_100000765856 [1,0,0,0,0,0|2,0,1]=4 252 B20R2.4584 CCOc1ccc(nc1)SCCCc2ccccc2 62a_100000211621_100000753957 [1,0,0,0,0,0|3,0,0]=4 253 B20R2.4584 CCOc1ccc(nc1)SCCCc2ccccc2 62a_100012355646_100000211621 [1,0,0,0,0,0|3,0,0]=4 254 B20R2.4584 CCSc1ccc(cc1)NCCCc2ccccc2 34a_100015187087_100000211621 [1,0,0,0,0,0|2,1,0]=4 255 B20R2.2544 CCOc1ccc(cc1)CNCC(O)c2ccco2 207a_100000738650_100000169836 [0,0,0,0,1,0|1,0,2]=4 256 B20R2.2544 CCOc1ccc(cc1)CNCC(O)c2ccco2 270004a_100000738650_100000169836 [0,0,0,0,1,0|1,0,2]=4 257 B20R2.2544 CCOc1ccc(cc1)CNCC(O)c2ccsc2 207a_100000758718_100000169836 [0,0,0,0,1,0|1,0,2]=4 258 B20R2.2544 CCOc1ccc(cc1)CNCC(O)c2ccsc2 270004a_100000758718_100000169836 [0,0,0,0,1,0|1,0,2]=4 259 B20R2.4560 C/C=C/c1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100016259036 [0,0,0,0,1,0|2,0,1]=4 260 B20R2.4560 C/C=C/c1ccc(cc1)SCC(O)c2ccccc2 62a_100016259036_100000185958 [0,0,0,0,1,0|2,0,1]=4 261 B20R2.4560 C/C=C/c1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100016259036 [0,0,0,0,1,0|2,0,1]=4 262 B20R2.4560 C/C=C/c1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100016259036_100011933945 [0,0,0,0,1,0|2,0,1]=4 263 B20R2.4560 C=COc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000704263 [0,0,0,0,1,0|1,0,2]=4 264 B20R2.4560 C=COc1ccc(cc1)SCC(O)c2ccccc2 62a_100000704263_100000185958 [0,0,0,0,1,0|1,0,2]=4 265 B20R2.4560 C=COc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000704263_100011933945 [0,0,0,0,1,0|1,0,2]=4 266 B20R2.4560 C=COc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000704263 [0,0,0,0,1,0|1,0,2]=4 267 B20R2.4560 CCCc1ccc(cc1)NCC(C)c2ccccc2 2230a_100000211780_100000756946 [0,0,0,0,1,0|2,0,1]=4 268 B20R2.4560 CCCc1ccc(cc1)NCC(C)c2ccccc2 34a_100000211780_100000756946 [0,0,0,0,1,0|2,0,1]=4 269 B20R2.4560 CCCc1ccc(cc1)NCC(O)c2ccccc2 2230a_100000211780_100000185958 [0,0,0,0,1,0|1,0,1]=3 270 B20R2.4560 CCCc1ccc(cc1)NCC(O)c2ccccc2 34a_100000211780_100000185958 [0,0,0,0,1,0|1,0,1]=3 271 B20R2.4560 CCCc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100000211780_100011933945 [0,0,0,0,1,0|1,0,1]=3 272 B20R2.4560 CCCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000211780_100011933945 [0,0,0,0,1,0|1,0,1]=3 273 B20R2.4560 CCCc1ccc(cc1)OCC(C)c2ccccc2 34a_100000749406_100000756946 [0,0,0,0,1,0|3,0,0]=4 274 B20R2.4560 CCCc1ccc(cc1)OCC(C)c2ccccc2 7a_100000749406_100000756946 [0,0,0,0,1,0|3,0,0]=4 275 B20R2.4560 CCCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000749406_100000185958 [0,0,0,0,1,0|2,0,0]=3 276 B20R2.4560 CCCc1ccc(cc1)OCC(O)c2ccccc2 7a_100000749406_100000185958 [0,0,0,0,1,0|2,0,0]=3 277 B20R2.4560 CCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000749406_100011933945 [0,0,0,0,1,0|2,0,0]=3 278 B20R2.4560 CCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100000749406_100011933945 [0,0,0,0,1,0|2,0,0]=3 279 B20R2.4560 CCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000750032 [0,0,0,0,1,0|2,0,0]=3 280 B20R2.4560 CCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000750032_100000185958 [0,0,0,0,1,0|2,0,0]=3 281 B20R2.4560 CCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000750032_100011933945 [0,0,0,0,1,0|2,0,0]=3 282 B20R2.4560 CCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000750032 [0,0,0,0,1,0|2,0,0]=3 283 B20R2.4560 CCNc1ccc(cc1)OCC(C)c2ccccc2 34a_100011337800_100000756946 [0,0,0,0,1,0|3,0,0]=4 284 B20R2.4560 CCNc1ccc(cc1)OCC(C)c2ccccc2 7a_100011337800_100000756946 [0,0,0,0,1,0|3,0,0]=4 285 B20R2.4560 CCNc1ccc(cc1)OCC(O)c2ccccc2 34a_100011337800_100000185958 [0,0,0,0,1,0|2,0,0]=3 286 B20R2.4560 CCNc1ccc(cc1)OCC(O)c2ccccc2 7a_100011337800_100000185958 [0,0,0,0,1,0|2,0,0]=3 287 B20R2.4560 CCNc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100011337800_100011933945 [0,0,0,0,1,0|2,0,0]=3 288 B20R2.4560 CCNc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100011337800_100011933945 [0,0,0,0,1,0|2,0,0]=3 289 B20R2.4560 CCNc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000219632 [0,0,0,0,1,0|2,0,0]=3 290 B20R2.4560 CCNc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000219632 [0,0,0,0,1,0|2,0,0]=3 291 B20R2.4560 CCNc1ccc(cn1)SCC(O)c2ccccc2 62a_100000185958_100000741496 [0,0,0,0,1,0|3,0,0]=4 292 B20R2.4560 CCNc1ccc(cn1)SCC(O)c2ccccc2 62a_100000741496_100000185958 [0,0,0,0,1,0|3,0,0]=4 293 B20R2.4560 CCNc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100000741496_100011933945 [0,0,0,0,1,0|3,0,0]=4 294 B20R2.4560 CCNc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000741496 [0,0,0,0,1,0|3,0,0]=4 295 B20R2.4560 CCOc1ccc(cc1)/C=C/C(=O)c2ccccc2 34a_100020656202_100000210202 [0,0,0,0,1,0|0,0,3]=4 296 B20R2.4560 CCOc1ccc(cc1)/C=C/C(=O)c2ccccc2 7a_100020656202_100000210202 [0,0,0,0,1,0|0,0,3]=4 297 B20R2.4560 CCOc1ccc(cc1)CNC(C)c2ccccc2 2230a_100000185588_100000230085 [0,0,0,0,1,0|1,0,2]=4 298 B20R2.4560 CCOc1ccc(cc1)CNC(C)c2ccccc2 269862a_100000185588_100000185851 [0,0,0,0,1,0|1,0,2]=4 299 B20R2.4560 CCOc1ccc(cc1)CNC(C)c2ccccc2 34a_100000185588_100000211855 [0,0,0,0,1,0|1,0,2]=4 300 B20R2.4560 CCOc1ccc(cc1)CN[C@H](C)c2ccccc2 207a_100000751104_100000169836 [0,0,0,0,1,0|1,0,2]=4 301 B20R2.4560 CCOc1ccc(cc1)CN[C@H](C)c2ccccc2 270004a_100000751104_100000169836 [0,0,0,0,1,0|1,0,2]=4 302 B20R2.4560 CCOc1ccc(cc1)COC(C)c2ccccc2 34a_100000173027_100000211855 [0,0,0,0,1,0|2,0,1]=4 303 B20R2.4560 CCOc1ccc(cc1)COC(C)c2ccccc2 7a_100000173027_100000230085 [0,0,0,0,1,0|2,0,1]=4 304 B20R2.4560 CCOc1ccc(cc1)NCC(C)c2ccccc2 2230a_100000739623_100000756946 [0,0,0,0,1,0|1,0,1]=3 305 B20R2.4560 CCOc1ccc(cc1)NCC(C)c2ccccc2 34a_100000739623_100000756946 [0,0,0,0,1,0|1,0,1]=3 306 B20R2.4560 CCOc1ccc(cc1)NCC(O)c2ccccc2 2230a_100000739623_100000185958 [0,0,0,0,1,0|0,0,1]=2 307 B20R2.4560 CCOc1ccc(cc1)NCC(O)c2ccccc2 34a_100000739623_100000185958 [0,0,0,0,1,0|0,0,1]=2 308 B20R2.4560 CCOc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100000739623_100011933945 [0,0,0,0,1,0|0,0,1]=2 309 B20R2.4560 CCOc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000739623_100011933945 [0,0,0,0,1,0|0,0,1]=2 310 B20R2.4560 CCOc1ccc(cc1)NN=C(C)c2ccccc2 4a_100000738955_100000185851 [0,0,0,0,1,0|2,0,1]=4 311 B20R2.4560 CCOc1ccc(cc1)OCC(C)c2ccccc2 34a_100000185467_100000756946 [0,0,0,0,1,0|2,0,0]=3 312 B20R2.4560 CCOc1ccc(cc1)OCC(O)c2ccccc2 34a_100000185467_100000185958 [0,0,0,0,1,0|1,0,0]=2 313 B20R2.4560 CCOc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000185467_100011933945 [0,0,0,0,1,0|1,0,0]=2 314 B20R2.4560 CCOc1ccc(cc1)SCC(=O)c2ccccc2 62a_100000211460_100000171712 [0,0,0,0,1,0|1,0,2]=4 315 B20R2.4560 CCOc1ccc(cc1)SCC(C)c2ccccc2 62a_100000756946_100000171712 [0,0,0,0,1,0|2,0,0]=3 316 B20R2.4560 CCOc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000171712 [0,0,0,0,1,0|1,0,0]=2 317 B20R2.4560 CCOc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000171712 [0,0,0,0,1,0|1,0,0]=2 318 B20R2.4560 CCOc1ccc(cn1)SCC(C)c2ccccc2 62a_100000756946_100011219444 [0,0,0,0,1,0|3,0,0]=4 319 B20R2.4560 CCOc1ccc(cn1)SCC(C)c2ccccc2 62a_100011219444_100000756946 [0,0,0,0,1,0|3,0,0]=4 320 B20R2.4560 CCOc1ccc(cn1)SCC(O)c2ccccc2 62a_100000185958_100011219444 [0,0,0,0,1,0|2,0,0]=3 321 B20R2.4560 CCOc1ccc(cn1)SCC(O)c2ccccc2 62a_100011219444_100000185958 [0,0,0,0,1,0|2,0,0]=3 322 B20R2.4560 CCOc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011219444_100011933945 [0,0,0,0,1,0|2,0,0]=3 323 B20R2.4560 CCOc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011219444 [0,0,0,0,1,0|2,0,0]=3 324 B20R2.4560 CCOc1ccc(nc1)SCC(C)c2ccccc2 62a_100000756946_100000753957 [0,0,0,0,1,0|3,0,0]=4 325 B20R2.4560 CCOc1ccc(nc1)SCC(C)c2ccccc2 62a_100012355646_100000756946 [0,0,0,0,1,0|3,0,0]=4 326 B20R2.4560 CCOc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000753957 [0,0,0,0,1,0|2,0,0]=3 327 B20R2.4560 CCOc1ccc(nc1)SCC(O)c2ccccc2 62a_100012355646_100000185958 [0,0,0,0,1,0|2,0,0]=3 328 B20R2.4560 CCOc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000753957 [0,0,0,0,1,0|2,0,0]=3 329 B20R2.4560 CCOc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100012355646_100011933945 [0,0,0,0,1,0|2,0,0]=3 330 B20R2.4560 CCOc1ccc(nn1)NCC(O)c2ccccc2 27a_100000210709_100000757289 [0,0,0,0,1,0|2,0,1]=4 331 B20R2.4560 CCOc1ccc(nn1)SCC(O)c2ccccc2 62a_100000185958_100000757289 [0,0,0,0,1,0|3,0,0]=4 332 B20R2.4560 CCOc1ccc(nn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000757289 [0,0,0,0,1,0|3,0,0]=4 333 B20R2.4560 CCOc1cnc(cn1)SCC(O)c2ccccc2 62a_100000185958_200012356188 [0,0,0,0,1,0|3,0,0]=4 334 B20R2.4560 CCOc1cnc(cn1)SCC(O)c2ccccc2 62a_200012356188_100000185958 [0,0,0,0,1,0|3,0,0]=4 335 B20R2.4560 CCOc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_200012356188 [0,0,0,0,1,0|3,0,0]=4 336 B20R2.4560 CCOc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_200012356188_100011933945 [0,0,0,0,1,0|3,0,0]=4 337 B20R2.4560 CCOc1cnc(nc1)NCC(O)c2ccccc2 27a_100000210709_100000099823 [0,0,0,0,1,0|2,0,1]=4 338 B20R2.4560 CCOc1cnc(nc1)SCC(O)c2ccccc2 62a_100000099823_100000185958 [0,0,0,0,1,0|3,0,0]=4 339 B20R2.4560 CCOc1cnc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000099823 [0,0,0,0,1,0|3,0,0]=4 340 B20R2.4560 CCOc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100000099823_100011933945 [0,0,0,0,1,0|3,0,0]=4 341 B20R2.4560 CCOc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000099823 [0,0,0,0,1,0|3,0,0]=4 342 B20R2.4560 CCOc1ncc(cn1)SCC(O)c2ccccc2 62a_100000185958_100011934766 [0,0,0,0,1,0|3,0,0]=4 343 B20R2.4560 CCOc1ncc(cn1)SCC(O)c2ccccc2 62a_100011934766_100000185958 [0,0,0,0,1,0|3,0,0]=4 344 B20R2.4560 CCOc1ncc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011934766 [0,0,0,0,1,0|3,0,0]=4 345 B20R2.4560 CCOc1ncc(cn1)SC[C@@H](O)c2ccccc2 62a_100011934766_100011933945 [0,0,0,0,1,0|3,0,0]=4 346 B20R2.4560 CCSc1ccc(cc1)NCC(O)c2ccccc2 34a_100015187087_100000185958 [0,0,0,0,1,0|0,1,1]=3 347 B20R2.4560 CCSc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100015187087_100011933945 [0,0,0,0,1,0|0,1,1]=3 348 B20R2.4560 CCSc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_200009811893 [0,0,0,0,1,0|1,1,0]=3 349 B20R2.4560 CCSc1ccc(cc1)SCC(O)c2ccccc2 62a_200009811893_100000185958 [0,0,0,0,1,0|1,1,0]=3 350 B20R2.4560 CCSc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_200009811893 [0,0,0,0,1,0|1,1,0]=3 351 B20R2.4560 CCSc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_200009811893_100011933945 [0,0,0,0,1,0|1,1,0]=3 352 B20R2.4560 CCSc1ccc(cn1)SCC(O)c2ccccc2 62a_100000185958_100000690189 [0,0,0,0,1,0|2,1,0]=4 353 B20R2.4560 CCSc1ccc(cn1)SCC(O)c2ccccc2 62a_100000690189_100000185958 [0,0,0,0,1,0|2,1,0]=4 354 B20R2.4560 CCSc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100000690189_100011933945 [0,0,0,0,1,0|2,1,0]=4 355 B20R2.4560 CCSc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000690189 [0,0,0,0,1,0|2,1,0]=4 356 B20R2.4560 CNCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000207500_100000185958 [0,0,0,0,1,0|3,0,0]=4 357 B20R2.4560 CNCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000207500_100011933945 [0,0,0,0,1,0|3,0,0]=4 358 B20R2.4560 CNCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000180866_100000185958 [0,0,0,0,1,0|3,0,0]=4 359 B20R2.4560 CNCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000180866 [0,0,0,0,1,0|3,0,0]=4 360 B20R2.4560 CNCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000180866_100011933945 [0,0,0,0,1,0|3,0,0]=4 361 B20R2.4560 CNCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000180866 [0,0,0,0,1,0|3,0,0]=4 362 B20R2.4560 COCc1ccc(cc1)NCC(O)c2ccccc2 34a_100000694113_100000185958 [0,0,0,0,1,0|2,0,1]=4 363 B20R2.4560 COCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000694113_100011933945 [0,0,0,0,1,0|2,0,1]=4 364 B20R2.4560 COCc1ccc(cc1)OCC(O)c2ccccc2 34a_200011995677_100000185958 [0,0,0,0,1,0|3,0,0]=4 365 B20R2.4560 COCc1ccc(cc1)OCC(O)c2ccccc2 7a_200011995677_100000185958 [0,0,0,0,1,0|3,0,0]=4 366 B20R2.4560 COCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_200011995677_100011933945 [0,0,0,0,1,0|3,0,0]=4 367 B20R2.4560 COCc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_200011995677_100011933945 [0,0,0,0,1,0|3,0,0]=4 368 B20R2.4560 COCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100011493685 [0,0,0,0,1,0|3,0,0]=4 369 B20R2.4560 COCc1ccc(cc1)SCC(O)c2ccccc2 62a_100011493685_100000185958 [0,0,0,0,1,0|3,0,0]=4 370 B20R2.4560 COCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011493685_100011933945 [0,0,0,0,1,0|3,0,0]=4 371 B20R2.4560 COCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011493685 [0,0,0,0,1,0|3,0,0]=4 372 B20R2.4560 CSCc1ccc(cc1)NCC(O)c2ccccc2 2230a_106726388226_100000185958 [0,0,0,0,1,0|2,0,1]=4 373 B20R2.4560 CSCc1ccc(cc1)NCC(O)c2ccccc2 34a_106726388226_100000185958 [0,0,0,0,1,0|2,0,1]=4 374 B20R2.4560 CSCc1ccc(cc1)NCC(O)c2ccccc2 7a_106726388226_100000185958 [0,0,0,0,1,0|2,0,1]=4 375 B20R2.4560 CSCc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_106726388226_100011933945 [0,0,0,0,1,0|2,0,1]=4 376 B20R2.4560 CSCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_106726388226_100011933945 [0,0,0,0,1,0|2,0,1]=4 377 B20R2.4560 CSCc1ccc(cc1)NC[C@@H](O)c2ccccc2 7a_106726388226_100011933945 [0,0,0,0,1,0|2,0,1]=4 378 B20R2.4560 NCCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000743037_100000185958 [0,0,0,0,1,0|3,0,0]=4 379 B20R2.4560 NCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000743037_100011933945 [0,0,0,0,1,0|3,0,0]=4 380 B20R2.4560 NCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000755846 [0,0,0,0,1,0|3,0,0]=4 381 B20R2.4560 NCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000755846_100000185958 [0,0,0,0,1,0|3,0,0]=4 382 B20R2.4560 NCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000755846_100011933945 [0,0,0,0,1,0|3,0,0]=4 383 B20R2.4560 NCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000755846 [0,0,0,0,1,0|3,0,0]=4 384 B20R2.4560 OC(COc1ccc(cc1)CCBr)c2ccccc2 34a_100009816426_100000185958 [0,0,0,0,1,0|3,0,0]=4 385 B20R2.4560 OC(COc1ccc(cc1)CCBr)c2ccccc2 7a_100009816426_100000185958 [0,0,0,0,1,0|3,0,0]=4 386 B20R2.4560 OCCc1ccc(cc1)NCC(O)c2ccccc2 2230a_100011204434_100000185958 [0,0,0,0,1,0|2,0,1]=4 387 B20R2.4560 OCCc1ccc(cc1)NCC(O)c2ccccc2 34a_100011204434_100000185958 [0,0,0,0,1,0|2,0,1]=4 388 B20R2.4560 OCCc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100011204434_100011933945 [0,0,0,0,1,0|2,0,1]=4 389 B20R2.4560 OCCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100011204434_100011933945 [0,0,0,0,1,0|2,0,1]=4 390 B20R2.4560 OCCc1ccc(cc1)OCC(O)c2ccccc2 34a_100011215338_100000185958 [0,0,0,0,1,0|3,0,0]=4 391 B20R2.4560 OCCc1ccc(cc1)OCC(O)c2ccccc2 7a_100011215338_100000185958 [0,0,0,0,1,0|3,0,0]=4 392 B20R2.4560 OCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100011215338_100011933945 [0,0,0,0,1,0|3,0,0]=4 393 B20R2.4560 OCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100011215338_100011933945 [0,0,0,0,1,0|3,0,0]=4 394 B20R2.4560 OCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000766406 [0,0,0,0,1,0|3,0,0]=4 395 B20R2.4560 OCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000766406_100000185958 [0,0,0,0,1,0|3,0,0]=4 396 B20R2.4560 OCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000766406_100011933945 [0,0,0,0,1,0|3,0,0]=4 397 B20R2.4560 OCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000766406 [0,0,0,0,1,0|3,0,0]=4 398 B20R2.4560 O[C@H](COc1ccc(cc1)CCBr)c2ccccc2 34a_100009816426_100011933945 [0,0,0,0,1,0|3,0,0]=4 399 B20R2.4560 O[C@H](COc1ccc(cc1)CCBr)c2ccccc2 7a_100009816426_100011933945 [0,0,0,0,1,0|3,0,0]=4 400 B19R2.57 CCc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000211036 [2,0,0,0,0,0|1,0,0]=3 401 B19R2.57 CCc1ccc(cc1)C=NNCc2ccccn2 4a_100000736832_100000211036 [2,0,0,0,0,0|2,0,0]=4 402 B19R2.57 CCc1ccc(cc1)C=NNCc2cccnc2 4a_100000738295_100000211036 [2,0,0,0,0,0|2,0,0]=4 403 B19R2.57 CCc1ccc(cc1)C=NNCc2ccncc2 4a_100000736929_100000211036 [2,0,0,0,0,0|2,0,0]=4 404 B19R2.57 CCc1ccc(cc1)CNCCc2ccccc2 207a_100000106460_100000211036 [2,0,0,0,0,0|0,0,2]=4 405 B19R2.57 CCc1ccc(cc1)CNCCc2ccccc2 2230a_100000106460_100000747183 [2,0,0,0,0,0|0,0,2]=4 406 B19R2.57 CCc1ccc(cc1)CNCCc2ccccc2 2230a_100000721222_100000765856 [2,0,0,0,0,0|0,0,2]=4 407 B19R2.57 CCc1ccc(cc1)CNCCc2ccccc2 270004a_100000106460_100000211036 [2,0,0,0,0,0|0,0,2]=4 408 B19R2.57 CCc1ccc(cc1)CNCCc2ccccc2 34a_100000106460_100000747183 [2,0,0,0,0,0|0,0,2]=4 409 B19R2.57 CCc1ccc(cc1)CNCCc2ccccc2 34a_100000721222_100000765856 [2,0,0,0,0,0|0,0,2]=4 410 B19R2.57 CCc1ccc(cc1)COCCc2ccccc2 34a_100000210268_100000747183 [2,0,0,0,0,0|1,0,1]=4 411 B19R2.57 CCc1ccc(cc1)COCCc2ccccc2 34a_100000702245_100000765856 [2,0,0,0,0,0|1,0,1]=4 412 B19R2.57 CCc1ccc(cc1)COCCc2ccccc2 7a_100000210268_100000747183 [2,0,0,0,0,0|1,0,1]=4 413 B19R2.57 CCc1ccc(cc1)COCCc2ccccc2 7a_100000702245_100000765856 [2,0,0,0,0,0|1,0,1]=4 414 B19R2.57 CCc1ccc(cc1)CSCCc2ccccc2 62a_100000757233_100011218657 [2,0,0,0,0,0|1,0,1]=4 415 B19R2.57 CCc1ccc(cc1)CSCCc2ccccc2 62a_100000765856_100000747183 [2,0,0,0,0,0|1,0,1]=4 416 B19R2.57 CCc1ccc(cc1)NCCCc2ccccc2 2230a_100000211069_100000211621 [2,0,0,0,0,0|2,0,0]=4 417 B19R2.57 CCc1ccc(cc1)NCCCc2ccccc2 34a_100000211069_100000211621 [2,0,0,0,0,0|2,0,0]=4 418 B19R2.57 CCc1ccc(cc1)NN=CCc2ccccc2 4a_100015204395_100000209964 [2,0,0,0,0,0|1,0,1]=4 419 B19R2.57 CCc1ccc(cc1)OCCCc2ccccc2 34a_100000211359_100000211621 [2,0,0,0,0,0|2,0,0]=4 420 B19R2.57 CCc1ccc(cc1)OCCCc2ccccc2 7a_100000211359_100000211621 [2,0,0,0,0,0|2,0,0]=4 421 B19R2.57 CCc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100011215824 [2,0,0,0,0,0|2,0,0]=4 422 B19R2.57 CCc1ccc(cc1)SCCCc2ccccc2 62a_100011215824_100000211621 [2,0,0,0,0,0|2,0,0]=4 423 B19R2.57 CCc1ccc(nc1)C=NNCc2ccccc2 4a_100000007032_100000069529 [2,0,0,0,0,0|2,0,0]=4 424 B19R2.57 COc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000169835 [2,0,0,0,0,0|1,0,0]=3 425 B19R2.57 COc1ccc(cc1)C=NNCc2ccccn2 4a_100000736832_100000169835 [2,0,0,0,0,0|2,0,0]=4 426 B19R2.57 COc1ccc(cc1)C=NNCc2cccnc2 4a_100000738295_100000169835 [2,0,0,0,0,0|2,0,0]=4 427 B19R2.57 COc1ccc(cc1)C=NNCc2ccncc2 4a_100000736929_100000169835 [2,0,0,0,0,0|2,0,0]=4 428 B19R2.57 COc1ccc(cc1)CNCCc2ccccc2 207a_100000106460_100000169835 [2,0,0,0,0,0|0,0,2]=4 429 B19R2.57 COc1ccc(cc1)CNCCc2ccccc2 2230a_100000106460_100000742318 [2,0,0,0,0,0|0,0,2]=4 430 B19R2.57 COc1ccc(cc1)CNCCc2ccccc2 270004a_100000106460_100000169835 [2,0,0,0,0,0|0,0,2]=4 431 B19R2.57 COc1ccc(cc1)CNCCc2ccccc2 34a_100000106460_100000742318 [2,0,0,0,0,0|0,0,2]=4 432 B19R2.57 COc1ccc(cc1)CNCCc2ccccc2 34a_100000185587_100000765856 [2,0,0,0,0,0|0,0,2]=4 433 B19R2.57 COc1ccc(cc1)COCCc2ccccc2 34a_100000173359_100000765856 [2,0,0,0,0,0|1,0,1]=4 434 B19R2.57 COc1ccc(cc1)COCCc2ccccc2 34a_100000210268_100000742318 [2,0,0,0,0,0|1,0,1]=4 435 B19R2.57 COc1ccc(cc1)COCCc2ccccc2 7a_100000210268_100000742318 [2,0,0,0,0,0|1,0,1]=4 436 B19R2.57 COc1ccc(cc1)CSCCc2ccccc2 62a_100000765856_100000742318 [2,0,0,0,0,0|1,0,1]=4 437 B19R2.57 COc1ccc(cc1)NCCCc2ccccc2 34a_100000184247_100000211621 [2,0,0,0,0,0|2,0,0]=4 438 B19R2.57 COc1ccc(cc1)NN=CCc2ccccc2 4a_100000005221_100000209964 [2,0,0,0,0,0|1,0,1]=4 439 B19R2.57 COc1ccc(cc1)OCCCc2ccccc2 34a_100000210503_100000211621 [2,0,0,0,0,0|2,0,0]=4 440 B19R2.57 COc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100000171711 [2,0,0,0,0,0|2,0,0]=4 441 B19R2.57 COc1ccc(cn1)C=NNCc2ccccc2 4a_100000007032_100000761633 [2,0,0,0,0,0|2,0,0]=4 442 B19R2.57 COc1ccc(nc1)C=NNCc2ccccc2 4a_100000007032_100000701244 [2,0,0,0,0,0|2,0,0]=4 443 B19R2.57 CSc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000211154 [2,0,0,0,0,0|1,1,0]=4 444 B19R2.57 OCc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100009832023 [2,0,0,0,0,0|2,0,0]=4 445 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000211033 [2,0,0,0,0,0|0,0,2]=4 446 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000174908_100000185958 [2,0,0,0,0,0|0,0,2]=4 447 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100000210814 [2,0,0,0,0,0|0,0,2]=4 448 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000211033 [2,0,0,0,0,0|0,0,2]=4 449 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000174908_100000185958 [2,0,0,0,0,0|0,0,2]=4 450 B19R2.11850 Cc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100000174908_100011933945 [2,0,0,0,0,0|0,0,2]=4 451 B19R2.11850 Cc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000174908_100011933945 [2,0,0,0,0,0|0,0,2]=4 452 B19R2.11850 Cc1ccc(cc1)COCC(O)c2ccccc2 34a_100011215236_100000185958 [2,0,0,0,0,0|1,0,1]=4 453 B19R2.11850 Cc1ccc(cc1)COCC(O)c2ccccc2 7a_100011215236_100000185958 [2,0,0,0,0,0|1,0,1]=4 454 B19R2.11850 Cc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100011215236_100011933945 [2,0,0,0,0,0|1,0,1]=4 455 B19R2.11850 Cc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_100011215236_100011933945 [2,0,0,0,0,0|1,0,1]=4 456 B19R2.11850 Cc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100000210814 [2,0,0,0,0,0|1,0,1]=4 457 B19R2.11850 Cc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000210814_100000185958 [2,0,0,0,0,0|1,0,1]=4 458 B19R2.11850 Cc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100000210814_100011933945 [2,0,0,0,0,0|1,0,1]=4 459 B19R2.11850 Cc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000210814 [2,0,0,0,0,0|1,0,1]=4 460 B19R2.11850 Cc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000124888_100000729684 [2,0,0,0,0,0|2,0,0]=4 461 B19R2.11850 Cc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000210336_100000729684 [2,0,0,0,0,0|2,0,0]=4 462 B19R2.11850 Cc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100000210336_100000729684 [2,0,0,0,0,0|2,0,0]=4 463 B19R2.11850 Cc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000186775_100000729684 [2,0,0,0,0,0|2,0,0]=4 464 B19R2.11850 Cc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000186775 [2,0,0,0,0,0|2,0,0]=4 465 B19R2.11850 Oc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000185549_100000185958 [2,0,0,0,0,0|0,0,2]=4 466 B19R2.11850 Oc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000185549_100011933945 [2,0,0,0,0,0|0,0,2]=4 467 B19R2.11850 Oc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000185829_100000729684 [2,0,0,0,0,0|2,0,0]=4 468 B19R2.11850 Oc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000185759 [2,0,0,0,0,0|2,0,0]=4 469 B21R3.5 CCc1ccc(cc1)c2ncc(o2)c3ccccc3 271570a_100000767149_100000729704 [1,0,0,1,0,0|0,0,2]=4 470 B21R3.5 COc1ccc(cc1)c2ncc(o2)c3ccccc3 271570a_100000754496_100000729704 [1,0,0,1,0,0|0,0,2]=4 471 B21R3.181633 CCc1ccc(cc1)c2ncc(c3c2cccc3)O 271570a_100000767149_100000067196 [1,0,0,1,0,0|0,0,2]=4 472 B21R3.181633 COc1ccc(cc1)c2ncc(c3c2cccc3)O 271570a_100000754496_100000067196 [1,0,0,1,0,0|0,0,2]=4 473 B21R3.8000859 OC(CNCc1ccc2c(c1)CC2)c3ccccc3 207a_100000210709_100010273998 [1,0,0,1,0,0|0,0,2]=4 474 B21R3.8000859 OC(CNCc1ccc2c(c1)CC2)c3ccccc3 270004a_100000210709_100010273998 [1,0,0,1,0,0|0,0,2]=4 475 B21R3.8000859 OC(COCc1ccc2c(c1)CC2)c3ccccc3 34a_100010733339_100000185958 [1,0,0,1,0,0|1,0,1]=4 476 B21R3.8000859 OC(COCc1ccc2c(c1)CC2)c3ccccc3 7a_100010733339_100000185958 [1,0,0,1,0,0|1,0,1]=4 477 B21R3.8000859 O[C@H](CCSc1ccc2c(c1)CC2)c3ccccc3 62a_100000729684_100009818592 [1,0,0,1,0,0|2,0,0]=4 478 B21R3.8000859 O[C@H](CCSc1ccc2c(c1)CC2)c3ccccc3 62a_100009818592_100000729684 [1,0,0,1,0,0|2,0,0]=4 479 B21R3.8000859 O[C@H](COCc1ccc2c(c1)CC2)c3ccccc3 34a_100010733339_100011933945 [1,0,0,1,0,0|1,0,1]=4 480 B21R3.8000859 O[C@H](COCc1ccc2c(c1)CC2)c3ccccc3 7a_100010733339_100011933945 [1,0,0,1,0,0|1,0,1]=4 481 B21R3.2849 CCOc1ccc(cc1)COC2Cc3c2cccc3 7a_100000173027_100009813401 [1,0,0,1,0,0|1,0,1]=4 482 B21R3.2849 CCOc1ccc(cc1)NN=C2Cc3c2cccc3 4a_100000738955_100000051409 [1,0,0,1,0,0|1,0,1]=4 483 B21R3.7751 CCOc1ccc(cc1)c2nccc3c2cccc3 271570a_100011215908_100011934041 [1,0,0,1,0,0|0,0,2]=4 484 B21R3.7751 CCOc1ccc(cc1)c2ncnc3c2cccc3 271570a_100011215908_100000217608 [1,0,0,1,0,0|1,0,1]=4 485 B21R3.7776 CCOc1ccc(cc1)NC2CCc3c2cccc3 2230a_100000739623_200000721974 [1,0,0,1,0,0|2,0,0]=4 486 B21R3.47737 C(=NNCc1ccccc1)c2ccc(cc2)C3CC3 4a_100000007032_100011263248 [1,0,0,1,0,0|2,0,0]=4 487 B21R3.47810 C(=NNCc1ccccc1)c2ccc3c(c2)CCC3 4a_100000007032_100000765347 [1,0,0,1,0,0|2,0,0]=4 488 B21R3.47810 C(=NNCc1ccccc1)c2ccc3c(c2)CCO3 4a_100000007032_100011218456 [1,0,0,1,0,0|1,0,0]=3 489 B21R3.47810 C(=NNCc1ccccn1)c2ccc3c(c2)CCO3 4a_100000736832_100011218456 [1,0,0,1,0,0|2,0,0]=4 490 B21R3.47810 C(=NNCc1cccnc1)c2ccc3c(c2)CCO3 4a_100000738295_100011218456 [1,0,0,1,0,0|2,0,0]=4 491 B21R3.47810 C(=NNCc1ccncc1)c2ccc3c(c2)CCO3 4a_100000736929_100011218456 [1,0,0,1,0,0|2,0,0]=4 492 B21R3.47810 c1ccc(cc1)CCCNc2ccc3c(c2)CCO3 2230a_100000736984_100000211621 [1,0,0,1,0,0|2,0,0]=4 493 B21R3.47810 c1ccc(cc1)CCCNc2ccc3c(c2)CCO3 34a_100000736984_100000211621 [1,0,0,1,0,0|2,0,0]=4 494 B21R3.47810 c1ccc(cc1)CCCSc2ccc3c(c2)CCO3 62a_100000211621_100000729065 [1,0,0,1,0,0|2,0,0]=4 495 B21R3.47810 c1ccc(cc1)CCCSc2ccc3c(c2)CCO3 62a_100000729065_100000211621 [1,0,0,1,0,0|2,0,0]=4 496 B21R3.47810 c1ccc(cc1)CCNCc2ccc3c(c2)CCO3 207a_100000106460_100011218456 [1,0,0,1,0,0|0,0,2]=4 497 B21R3.47810 c1ccc(cc1)CCNCc2ccc3c(c2)CCO3 2230a_100011219410_100000765856 [1,0,0,1,0,0|0,0,2]=4 498 B21R3.47810 c1ccc(cc1)CCNCc2ccc3c(c2)CCO3 270004a_100000106460_100011218456 [1,0,0,1,0,0|0,0,2]=4 499 B21R3.47810 c1ccc(cc1)CCNCc2ccc3c(c2)CCO3 34a_100011219410_100000765856 [1,0,0,1,0,0|0,0,2]=4 500 B21R3.47810 c1ccc(cc1)CCOCc2ccc3c(c2)CCO3 34a_100011219353_100000765856 [1,0,0,1,0,0|1,0,1]=4 501 B21R3.47810 c1ccc(cc1)CCOCc2ccc3c(c2)CCO3 7a_100011219353_100000765856 [1,0,0,1,0,0|1,0,1]=4 502 B21R3.41536 CC(CNc1ccc2c(c1)CCO2)c3ccccc3 2230a_100000736984_100000756946 [0,0,0,1,1,0|1,0,1]=4 503 B21R3.41536 CC(CNc1ccc2c(c1)CCO2)c3ccccc3 34a_100000736984_100000756946 [0,0,0,1,1,0|1,0,1]=4 504 B21R3.41536 CC(CSc1ccc2c(c1)CCO2)c3ccccc3 62a_100000729065_100000756946 [0,0,0,1,1,0|2,0,0]=4 505 B21R3.41536 CC(CSc1ccc2c(c1)CCO2)c3ccccc3 62a_100000756946_100000729065 [0,0,0,1,1,0|2,0,0]=4 506 B21R3.41536 OC(CNc1ccc2c(c1)CCC2)c3ccccc3 2230a_100000211504_100000185958 [0,0,0,1,1,0|1,0,1]=4 507 B21R3.41536 OC(CNc1ccc2c(c1)CCC2)c3ccccc3 34a_100000211504_100000185958 [0,0,0,1,1,0|1,0,1]=4 508 B21R3.41536 OC(CNc1ccc2c(c1)CCO2)c3ccccc3 2230a_100000736984_100000185958 [0,0,0,1,1,0|0,0,1]=3 509 B21R3.41536 OC(CNc1ccc2c(c1)CCO2)c3ccccc3 34a_100000736984_100000185958 [0,0,0,1,1,0|0,0,1]=3 510 B21R3.41536 OC(CNc1ccc2c(c1)OCO2)c3ccccc3 2230a_100000209953_100000185958 [0,0,0,1,1,0|1,0,1]=4 511 B21R3.41536 OC(CNc1ccc2c(c1)OCO2)c3ccccc3 34a_100000209953_100000185958 [0,0,0,1,1,0|1,0,1]=4 512 B21R3.41536 OC(COc1ccc2c(c1)CCC2)c3ccccc3 34a_100000209987_100000185958 [0,0,0,1,1,0|2,0,0]=4 513 B21R3.41536 OC(COc1ccc2c(c1)CCC2)c3ccccc3 7a_100000209987_100000185958 [0,0,0,1,1,0|2,0,0]=4 514 B21R3.41536 OC(COc1ccc2c(c1)CCN2)c3ccccc3 34a_100020636429_100000185958 [0,0,0,1,1,0|2,0,0]=4 515 B21R3.41536 OC(COc1ccc2c(c1)OCO2)c3ccccc3 34a_100000210298_100000185958 [0,0,0,1,1,0|2,0,0]=4 516 B21R3.41536 OC(CSc1cc2c(cn1)OCC2)c3ccccc3 62a_100000185958_102495363667 [0,0,0,1,1,0|2,0,0]=4 517 B21R3.41536 OC(CSc1cc2c(cn1)OCC2)c3ccccc3 62a_102495363667_100000185958 [0,0,0,1,1,0|2,0,0]=4 518 B21R3.41536 OC(CSc1ccc2c(c1)CCC2)c3ccccc3 62a_100000185958_100000745594 [0,0,0,1,1,0|2,0,0]=4 519 B21R3.41536 OC(CSc1ccc2c(c1)CCC2)c3ccccc3 62a_100000745594_100000185958 [0,0,0,1,1,0|2,0,0]=4 520 B21R3.41536 OC(CSc1ccc2c(c1)CCN2)c3ccccc3 62a_100000185958_100000691068 [0,0,0,1,1,0|2,0,0]=4 521 B21R3.41536 OC(CSc1ccc2c(c1)CCN2)c3ccccc3 62a_100000691068_100000185958 [0,0,0,1,1,0|2,0,0]=4 522 B21R3.41536 OC(CSc1ccc2c(c1)CCO2)c3ccccc3 62a_100000185958_100000729065 [0,0,0,1,1,0|1,0,0]=3 523 B21R3.41536 OC(CSc1ccc2c(c1)CCO2)c3ccccc3 62a_100000729065_100000185958 [0,0,0,1,1,0|1,0,0]=3 524 B21R3.41536 O[C@H](CNc1ccc2c(c1)CCC2)c3ccccc3 2230a_100000211504_100011933945 [0,0,0,1,1,0|1,0,1]=4 525 B21R3.41536 O[C@H](CNc1ccc2c(c1)CCC2)c3ccccc3 34a_100000211504_100011933945 [0,0,0,1,1,0|1,0,1]=4 526 B21R3.41536 O[C@H](CNc1ccc2c(c1)CCO2)c3ccccc3 2230a_100000736984_100011933945 [0,0,0,1,1,0|0,0,1]=3 527 B21R3.41536 O[C@H](CNc1ccc2c(c1)CCO2)c3ccccc3 34a_100000736984_100011933945 [0,0,0,1,1,0|0,0,1]=3 528 B21R3.41536 O[C@H](CNc1ccc2c(c1)OCO2)c3ccccc3 2230a_100000209953_100011933945 [0,0,0,1,1,0|1,0,1]=4 529 B21R3.41536 O[C@H](CNc1ccc2c(c1)OCO2)c3ccccc3 34a_100000209953_100011933945 [0,0,0,1,1,0|1,0,1]=4 530 B21R3.41536 O[C@H](COc1ccc2c(c1)CCC2)c3ccccc3 34a_100000209987_100011933945 [0,0,0,1,1,0|2,0,0]=4 531 B21R3.41536 O[C@H](COc1ccc2c(c1)CCC2)c3ccccc3 7a_100000209987_100011933945 [0,0,0,1,1,0|2,0,0]=4 532 B21R3.41536 O[C@H](COc1ccc2c(c1)CCN2)c3ccccc3 34a_100020636429_100011933945 [0,0,0,1,1,0|2,0,0]=4 533 B21R3.41536 O[C@H](COc1ccc2c(c1)OCO2)c3ccccc3 34a_100000210298_100011933945 [0,0,0,1,1,0|2,0,0]=4 534 B21R3.41536 O[C@H](CSc1cc2c(cn1)OCC2)c3ccccc3 62a_100011933945_102495363667 [0,0,0,1,1,0|2,0,0]=4 535 B21R3.41536 O[C@H](CSc1cc2c(cn1)OCC2)c3ccccc3 62a_102495363667_100011933945 [0,0,0,1,1,0|2,0,0]=4 536 B21R3.41536 O[C@H](CSc1ccc2c(c1)CCC2)c3ccccc3 62a_100000745594_100011933945 [0,0,0,1,1,0|2,0,0]=4 537 B21R3.41536 O[C@H](CSc1ccc2c(c1)CCC2)c3ccccc3 62a_100011933945_100000745594 [0,0,0,1,1,0|2,0,0]=4 538 B21R3.41536 O[C@H](CSc1ccc2c(c1)CCN2)c3ccccc3 62a_100000691068_100011933945 [0,0,0,1,1,0|2,0,0]=4 539 B21R3.41536 O[C@H](CSc1ccc2c(c1)CCN2)c3ccccc3 62a_100011933945_100000691068 [0,0,0,1,1,0|2,0,0]=4 540 B21R3.41536 O[C@H](CSc1ccc2c(c1)CCO2)c3ccccc3 62a_100000729065_100011933945 [0,0,0,1,1,0|1,0,0]=3 541 B21R3.41536 O[C@H](CSc1ccc2c(c1)CCO2)c3ccccc3 62a_100011933945_100000729065 [0,0,0,1,1,0|1,0,0]=3 542 B21R3.44140 CCOc1ccc(cc1)c2nn(c3c2cccc3)C 271570a_100010171893_100000169946 [0,0,0,1,1,0|2,0,0]=4 543 B21R3.44140 CCOc1ccc(cc1)c2nn(c3c2cccc3)C 271570a_100011215908_100009817141 [0,0,0,1,1,0|2,0,0]=4 544 B21R3.3575059 OC(CNc1ccc(cc1)C2CC2)c3ccccc3 34a_100016991203_100000185958 [0,0,0,1,1,0|1,0,1]=4 545 B21R3.3575059 OC(COc1ccc(cc1)C2CC2)c3ccccc3 34a_100011997980_100000185958 [0,0,0,1,1,0|2,0,0]=4 546 B21R3.3575059 OC(COc1ccc(cc1)C2CC2)c3ccccc3 7a_100011997980_100000185958 [0,0,0,1,1,0|2,0,0]=4 547 B21R3.3575059 OC(CSc1ccc(cc1)C2CC2)c3ccccc3 62a_100000185958_100009820665 [0,0,0,1,1,0|2,0,0]=4 548 B21R3.3575059 O[C@H](CNc1ccc(cc1)C2CC2)c3ccccc3 34a_100016991203_100011933945 [0,0,0,1,1,0|1,0,1]=4 549 B21R3.3575059 O[C@H](COc1ccc(cc1)C2CC2)c3ccccc3 34a_100011997980_100011933945 [0,0,0,1,1,0|2,0,0]=4 550 B21R3.3575059 O[C@H](COc1ccc(cc1)C2CC2)c3ccccc3 7a_100011997980_100011933945 [0,0,0,1,1,0|2,0,0]=4 551 B21R3.3575059 O[C@H](CSc1ccc(cc1)C2CC2)c3ccccc3 62a_100011933945_100009820665 [0,0,0,1,1,0|2,0,0]=4 552 B19R2.79 CCc1ccc(cc1)NCC(C)c2ccccc2 2230a_100000211069_100000756946 [1,0,0,0,1,0|1,0,1]=4 553 B19R2.79 CCc1ccc(cc1)NCC(C)c2ccccc2 34a_100000211069_100000756946 [1,0,0,0,1,0|1,0,1]=4 554 B19R2.79 CCc1ccc(cc1)NCC(O)c2ccccc2 2230a_100000211069_100000185958 [1,0,0,0,1,0|0,0,1]=3 555 B19R2.79 CCc1ccc(cc1)NCC(O)c2ccccc2 34a_100000211069_100000185958 [1,0,0,0,1,0|0,0,1]=3 556 B19R2.79 CCc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100000211069_100011933945 [1,0,0,0,1,0|0,0,1]=3 557 B19R2.79 CCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000211069_100011933945 [1,0,0,0,1,0|0,0,1]=3 558 B19R2.79 CCc1ccc(cc1)OCC(C)c2ccccc2 34a_100000211359_100000756946 [1,0,0,0,1,0|2,0,0]=4 559 B19R2.79 CCc1ccc(cc1)OCC(C)c2ccccc2 7a_100000211359_100000756946 [1,0,0,0,1,0|2,0,0]=4 560 B19R2.79 CCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000211359_100000185958 [1,0,0,0,1,0|1,0,0]=3 561 B19R2.79 CCc1ccc(cc1)OCC(O)c2ccccc2 7a_100000211359_100000185958 [1,0,0,0,1,0|1,0,0]=3 562 B19R2.79 CCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000211359_100011933945 [1,0,0,0,1,0|1,0,0]=3 563 B19R2.79 CCc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100000211359_100011933945 [1,0,0,0,1,0|1,0,0]=3 564 B19R2.79 CCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100011215824 [1,0,0,0,1,0|1,0,0]=3 565 B19R2.79 CCc1ccc(cc1)SCC(O)c2ccccc2 62a_100011215824_100000185958 [1,0,0,0,1,0|1,0,0]=3 566 B19R2.79 CCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011215824_100011933945 [1,0,0,0,1,0|1,0,0]=3 567 B19R2.79 CCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011215824 [1,0,0,0,1,0|1,0,0]=3 568 B19R2.79 CCc1ccc(cn1)SCC(O)c2ccccc2 62a_100000185958_100009820025 [1,0,0,0,1,0|2,0,0]=4 569 B19R2.79 CCc1ccc(cn1)SCC(O)c2ccccc2 62a_100009820025_100000185958 [1,0,0,0,1,0|2,0,0]=4 570 B19R2.79 CCc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100009820025_100011933945 [1,0,0,0,1,0|2,0,0]=4 571 B19R2.79 CCc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009820025 [1,0,0,0,1,0|2,0,0]=4 572 B19R2.79 CCc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100009843584 [1,0,0,0,1,0|2,0,0]=4 573 B19R2.79 CCc1ccc(nc1)SCC(O)c2ccccc2 62a_100009843584_100000185958 [1,0,0,0,1,0|2,0,0]=4 574 B19R2.79 CCc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100009843584_100011933945 [1,0,0,0,1,0|2,0,0]=4 575 B19R2.79 CCc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009843584 [1,0,0,0,1,0|2,0,0]=4 576 B19R2.79 CNc1ccc(cc1)OCC(O)c2ccccc2 34a_100000182112_100000185958 [1,0,0,0,1,0|2,0,0]=4 577 B19R2.79 CNc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000182112_100011933945 [1,0,0,0,1,0|2,0,0]=4 578 B19R2.79 CNc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000743151 [1,0,0,0,1,0|2,0,0]=4 579 B19R2.79 CNc1ccc(cc1)SCC(O)c2ccccc2 62a_100000743151_100000185958 [1,0,0,0,1,0|2,0,0]=4 580 B19R2.79 CNc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000743151_100011933945 [1,0,0,0,1,0|2,0,0]=4 581 B19R2.79 CNc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000743151 [1,0,0,0,1,0|2,0,0]=4 582 B19R2.79 COc1ccc(cc1)NCC(C)c2ccccc2 34a_100000184247_100000756946 [1,0,0,0,1,0|1,0,1]=4 583 B19R2.79 COc1ccc(cc1)NCC(O)c2ccccc2 34a_100000184247_100000185958 [1,0,0,0,1,0|0,0,1]=3 584 B19R2.79 COc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000184247_100011933945 [1,0,0,0,1,0|0,0,1]=3 585 B19R2.79 COc1ccc(cc1)OCC(C)c2ccccc2 34a_100000210503_100000756946 [1,0,0,0,1,0|2,0,0]=4 586 B19R2.79 COc1ccc(cc1)OCC(O)c2ccccc2 34a_100000210503_100000185958 [1,0,0,0,1,0|1,0,0]=3 587 B19R2.79 COc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000210503_100011933945 [1,0,0,0,1,0|1,0,0]=3 588 B19R2.79 COc1ccc(cc1)SCC(C)c2ccccc2 62a_100000756946_100000171711 [1,0,0,0,1,0|2,0,0]=4 589 B19R2.79 COc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000171711 [1,0,0,0,1,0|1,0,0]=3 590 B19R2.79 COc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000171711 [1,0,0,0,1,0|1,0,0]=3 591 B19R2.79 COc1ccc(cn1)OCC(O)c2ccccc2 34a_100011934560_100000185958 [1,0,0,0,1,0|2,0,0]=4 592 B19R2.79 COc1ccc(cn1)OC[C@@H](O)c2ccccc2 34a_100011934560_100011933945 [1,0,0,0,1,0|2,0,0]=4 593 B19R2.79 COc1ccc(cn1)SCC(O)c2ccccc2 62a_100000047065_100000185958 [1,0,0,0,1,0|2,0,0]=4 594 B19R2.79 COc1ccc(cn1)SCC(O)c2ccccc2 62a_100000185958_100000047065 [1,0,0,0,1,0|2,0,0]=4 595 B19R2.79 COc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100000047065_100011933945 [1,0,0,0,1,0|2,0,0]=4 596 B19R2.79 COc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000047065 [1,0,0,0,1,0|2,0,0]=4 597 B19R2.79 COc1ccc(nc1)OCC(O)c2ccccc2 34a_100012002028_100000185958 [1,0,0,0,1,0|2,0,0]=4 598 B19R2.79 COc1ccc(nc1)OC[C@@H](O)c2ccccc2 34a_100012002028_100011933945 [1,0,0,0,1,0|2,0,0]=4 599 B19R2.79 COc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000744180 [1,0,0,0,1,0|2,0,0]=4 600 B19R2.79 COc1ccc(nc1)SCC(O)c2ccccc2 62a_100000755202_100000185958 [1,0,0,0,1,0|2,0,0]=4 601 B19R2.79 COc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100000755202_100011933945 [1,0,0,0,1,0|2,0,0]=4 602 B19R2.79 COc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000744180 [1,0,0,0,1,0|2,0,0]=4 603 B19R2.79 CSc1ccc(cc1)NCC(O)c2ccccc2 34a_100000212337_100000185958 [1,0,0,0,1,0|0,1,1]=4 604 B19R2.79 CSc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000212337_100011933945 [1,0,0,0,1,0|0,1,1]=4 605 B19R2.79 CSc1ccc(cc1)OCC(O)c2ccccc2 34a_100000211864_100000185958 [1,0,0,0,1,0|1,1,0]=4 606 B19R2.79 CSc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000211864_100011933945 [1,0,0,0,1,0|1,1,0]=4 607 B19R2.79 CSc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100011263217 [1,0,0,0,1,0|1,1,0]=4 608 B19R2.79 CSc1ccc(cc1)SCC(O)c2ccccc2 62a_100011263217_100000185958 [1,0,0,0,1,0|1,1,0]=4 609 B19R2.79 CSc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011263217_100011933945 [1,0,0,0,1,0|1,1,0]=4 610 B19R2.79 CSc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011263217 [1,0,0,0,1,0|1,1,0]=4 611 B19R2.79 NCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000185549_100000185958 [1,0,0,0,1,0|2,0,0]=4 612 B19R2.79 NCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000185549_100011933945 [1,0,0,0,1,0|2,0,0]=4 613 B19R2.79 NCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100016989417 [1,0,0,0,1,0|2,0,0]=4 614 B19R2.79 NCc1ccc(cc1)SCC(O)c2ccccc2 62a_100016989417_100000185958 [1,0,0,0,1,0|2,0,0]=4 615 B19R2.79 NCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100016989417 [1,0,0,0,1,0|2,0,0]=4 616 B19R2.79 NCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100016989417_100011933945 [1,0,0,0,1,0|2,0,0]=4 617 B19R2.79 OC(CSc1ccc(cc1)CF)c2ccccc2 62a_100000185958_100010268989 [1,0,0,0,1,0|2,0,0]=4 618 B19R2.79 OC(CSc1ccc(cc1)CF)c2ccccc2 62a_100010268989_100000185958 [1,0,0,0,1,0|2,0,0]=4 619 B19R2.79 OCc1ccc(cc1)NCC(O)c2ccccc2 2230a_100011215238_100000185958 [1,0,0,0,1,0|1,0,1]=4 620 B19R2.79 OCc1ccc(cc1)NCC(O)c2ccccc2 34a_100011215238_100000185958 [1,0,0,0,1,0|1,0,1]=4 621 B19R2.79 OCc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100011215238_100011933945 [1,0,0,0,1,0|1,0,1]=4 622 B19R2.79 OCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100011215238_100011933945 [1,0,0,0,1,0|1,0,1]=4 623 B19R2.79 OCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000211755_100000185958 [1,0,0,0,1,0|2,0,0]=4 624 B19R2.79 OCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000211755_100011933945 [1,0,0,0,1,0|2,0,0]=4 625 B19R2.79 OCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000690907 [1,0,0,0,1,0|2,0,0]=4 626 B19R2.79 OCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000690907_100000185958 [1,0,0,0,1,0|2,0,0]=4 627 B19R2.79 OCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000690907_100011933945 [1,0,0,0,1,0|2,0,0]=4 628 B19R2.79 OCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000690907 [1,0,0,0,1,0|2,0,0]=4 629 B19R2.79 O[C@H](CSc1ccc(cc1)CF)c2ccccc2 62a_100010268989_100011933945 [1,0,0,0,1,0|2,0,0]=4 630 B19R2.79 O[C@H](CSc1ccc(cc1)CF)c2ccccc2 62a_100011933945_100010268989 [1,0,0,0,1,0|2,0,0]=4 631 B19R2.4312 CCCc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000750032 [1,0,0,0,1,0|1,0,1]=4 632 B19R2.4312 CCCc1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000229940 [1,0,0,0,1,0|2,0,0]=4 633 B19R2.4312 CCCc1ccc(cc1)NCCc2ccccc2 2230a_100000211780_100000765856 [1,0,0,0,1,0|1,0,1]=4 634 B19R2.4312 CCCc1ccc(cc1)NCCc2ccccc2 34a_100000211780_100000765856 [1,0,0,0,1,0|1,0,1]=4 635 B19R2.4312 CCCc1ccc(cc1)OCCc2ccccc2 34a_100000749406_100000765856 [1,0,0,0,1,0|2,0,0]=4 636 B19R2.4312 CCCc1ccc(cc1)OCCc2ccccc2 7a_100000749406_100000765856 [1,0,0,0,1,0|2,0,0]=4 637 B19R2.4312 CCCc1ccc(cc1)SCCc2ccccc2 62a_100000750032_100011218657 [1,0,0,0,1,0|2,0,0]=4 638 B19R2.4312 CCCc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000750032 [1,0,0,0,1,0|2,0,0]=4 639 B19R2.4312 CCNc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000219632 [1,0,0,0,1,0|1,0,1]=4 640 B19R2.4312 CCNc1ccc(cc1)OCCc2ccccc2 34a_100011337800_100000765856 [1,0,0,0,1,0|2,0,0]=4 641 B19R2.4312 CCNc1ccc(cc1)OCCc2ccccc2 7a_100011337800_100000765856 [1,0,0,0,1,0|2,0,0]=4 642 B19R2.4312 CCNc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000219632 [1,0,0,0,1,0|2,0,0]=4 643 B19R2.4312 CCOc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000169946 [1,0,0,0,1,0|0,0,1]=3 644 B19R2.4312 CCOc1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000169836 [1,0,0,0,1,0|1,0,0]=3 645 B19R2.4312 CCOc1ccc(cc1)C=NNc2ccccn2 4a_100000183288_100000169836 [1,0,0,0,1,0|2,0,0]=4 646 B19R2.4312 CCOc1ccc(cc1)C=NNc2cccnc2 4a_100000728903_100000169836 [1,0,0,0,1,0|2,0,0]=4 647 B19R2.4312 CCOc1ccc(cc1)C=NNc2ccncc2 4a_100000698918_100000169836 [1,0,0,0,1,0|2,0,0]=4 648 B19R2.4312 CCOc1ccc(cc1)CNCc2ccccc2 207a_100000185588_100015611070 [1,0,0,0,1,0|0,0,2]=4 649 B19R2.4312 CCOc1ccc(cc1)CNCc2ccccc2 207a_100015324214_100000169836 [1,0,0,0,1,0|0,0,2]=4 650 B19R2.4312 CCOc1ccc(cc1)CNCc2ccccc2 2230a_100000185588_100015291786 [1,0,0,0,1,0|0,0,2]=4 651 B19R2.4312 CCOc1ccc(cc1)CNCc2ccccc2 270004a_100000185588_100015611070 [1,0,0,0,1,0|0,0,2]=4 652 B19R2.4312 CCOc1ccc(cc1)CNCc2ccccc2 270004a_100015324214_100000169836 [1,0,0,0,1,0|0,0,2]=4 653 B19R2.4312 CCOc1ccc(cc1)CNCc2ccccc2 34a_100000185588_100015291786 [1,0,0,0,1,0|0,0,2]=4 654 B19R2.4312 CCOc1ccc(cc1)COCc2ccccc2 34a_100000173027_100015291786 [1,0,0,0,1,0|1,0,1]=4 655 B19R2.4312 CCOc1ccc(cc1)COCc2ccccc2 7a_100000173027_100000211182 [1,0,0,0,1,0|1,0,1]=4 656 B19R2.4312 CCOc1ccc(cc1)NCCc2ccccc2 2230a_100000739623_100000765856 [1,0,0,0,1,0|0,0,1]=3 657 B19R2.4312 CCOc1ccc(cc1)NCCc2ccccc2 34a_100000739623_100000765856 [1,0,0,0,1,0|0,0,1]=3 658 B19R2.4312 CCOc1ccc(cc1)NCCc2ccccn2 2230a_100000739623_100015183660 [1,0,0,0,1,0|1,0,1]=4 659 B19R2.4312 CCOc1ccc(cc1)NCCc2cccnc2 2230a_100000739623_200011713674 [1,0,0,0,1,0|1,0,1]=4 660 B19R2.4312 CCOc1ccc(cc1)NCCc2ccncc2 2230a_100000739623_100000723409 [1,0,0,0,1,0|1,0,1]=4 661 B19R2.4312 CCOc1ccc(cc1)NCSc2ccccc2 2230a_100000739623_100011218342 [1,0,0,0,1,0|1,0,1]=4 662 B19R2.4312 CCOc1ccc(cc1)NN=Cc2ccccc2 4a_100000738955_100015611070 [1,0,0,0,1,0|1,0,1]=4 663 B19R2.4312 CCOc1ccc(cc1)OCCc2ccccc2 34a_100000185467_100000765856 [1,0,0,0,1,0|1,0,0]=3 664 B19R2.4312 CCOc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000171712 [1,0,0,0,1,0|1,0,0]=3 665 B19R2.4312 CCOc1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000171712 [1,0,0,0,1,0|2,0,0]=4 666 B19R2.4312 CCOc1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000171712 [1,0,0,0,1,0|2,0,0]=4 667 B19R2.4312 CCOc1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000171712 [1,0,0,0,1,0|2,0,0]=4 668 B19R2.4312 CCOc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000171712 [1,0,0,0,1,0|2,0,0]=4 669 B19R2.4312 CCOc1ccc(cn1)C=CCc2ccccc2 271570a_200016263579_100011219444 [1,0,0,0,1,0|1,0,1]=4 670 B19R2.4312 CCOc1ccc(cn1)C=NNc2ccccc2 4a_100015195140_100012002837 [1,0,0,0,1,0|2,0,0]=4 671 B19R2.4312 CCOc1ccc(cn1)SCCc2ccccc2 62a_100000765856_100011219444 [1,0,0,0,1,0|2,0,0]=4 672 B19R2.4312 CCOc1ccc(cn1)SCCc2ccccc2 62a_100011219444_100011218657 [1,0,0,0,1,0|2,0,0]=4 673 B19R2.4312 CCOc1ccc(nc1)C=CCc2ccccc2 271570a_200016263579_100000753957 [1,0,0,0,1,0|1,0,1]=4 674 B19R2.4312 CCOc1ccc(nc1)SCCc2ccccc2 62a_100000765856_100000753957 [1,0,0,0,1,0|2,0,0]=4 675 B19R2.4312 CCOc1ccc(nc1)SCCc2ccccc2 62a_100012355646_100011218657 [1,0,0,0,1,0|2,0,0]=4 676 B19R2.4312 CCSc1ccc(cc1)NCCc2ccccc2 34a_100015187087_100000765856 [1,0,0,0,1,0|0,1,1]=4 677 B19R2.4298 CCCc1ccc(cc1)CC(C)c2ccccc2 271570a_100000062452_100000750032 [0,0,0,0,2,0|2,0,0]=4 678 B19R2.4298 CCNc1ccc(cc1)CC(C)c2ccccc2 271570a_100000062452_100000219632 [0,0,0,0,2,0|2,0,0]=4 679 B19R2.4298 CCOc1ccc(cc1)CC(C)c2ccccc2 271570a_100000062452_100000169946 [0,0,0,0,2,0|1,0,0]=3 680 B19R2.4298 CCOc1ccc(cc1)NC(C)c2ccccc2 2230a_100000739623_100000230085 [0,0,0,0,2,0|1,0,1]=4 681 B19R2.4298 CCOc1ccc(cc1)NC(C)c2ccccc2 34a_100000739623_100000211855 [0,0,0,0,2,0|1,0,1]=4 682 B19R2.4298 CCOc1ccc(cc1)OC(C)c2ccccc2 34a_100000185467_100000211855 [0,0,0,0,2,0|2,0,0]=4 683 B19R2.4298 CCOc1ccc(cc1)SC(C)c2ccccc2 62a_100000230085_100000171712 [0,0,0,0,2,0|2,0,0]=4 684 B19R2.4298 CCOc1ccc(cn1)CC(C)c2ccccc2 271570a_100000062452_100011219444 [0,0,0,0,2,0|2,0,0]=4 685 B19R2.4298 CCOc1ccc(nc1)CC(C)c2ccccc2 271570a_100000062452_100000753957 [0,0,0,0,2,0|2,0,0]=4