0 B15R1.8018 CC(=NNC(C)(C)C)c1ccccc1Br 4a_100000725372_100000187085 [0,0,0,0,0,0|2,1,1]=4 1 B15R1.8018 CC(=NNC(C)(C)C)c1ccccc1C 4a_100000725372_100000211656 [0,0,0,0,0,0|3,0,1]=4 2 B15R1.8018 CC(=NNC(C)(C)C)c1ccccc1Cl 4a_100000725372_100000210134 [0,0,0,0,0,0|2,0,1]=3 3 B15R1.8018 CC(=NNC(C)(C)C)c1ccccc1F 4a_100000725372_100000210632 [0,0,0,0,0,0|2,1,1]=4 4 B15R1.8018 CC(=NNC(C)(C)C)c1ccccc1I 4a_100000725372_100000751169 [0,0,0,0,0,0|2,1,1]=4 5 B15R1.8018 CC(=NNC(C)(C)C)c1ccccc1O 4a_100000725372_100000188907 [0,0,0,0,0,0|3,0,1]=4 6 B15R1.8018 CC(=NNC(C)(C)C)c1cccnc1Cl 4a_100000725372_100000753718 [0,0,0,0,0,0|3,0,1]=4 7 B15R1.8018 CC(=NNC(C)(C)C)c1ccncc1Cl 4a_100000725372_100012001414 [0,0,0,0,0,0|3,0,1]=4 8 B15R1.8018 CC(=NNC(C)(C)C)c1cnccc1Cl 4a_100000725372_100160469449 [0,0,0,0,0,0|3,0,1]=4 9 B15R1.8018 CC(=NNC(C)(C)C)c1ncccc1Cl 4a_100000725372_100015267551 [0,0,0,0,0,0|3,0,1]=4 10 B15R1.8018 CC(C)(C)CCC(=O)c1ccccc1Br 1458a_100000188424_100000755188 [0,0,0,0,0,0|1,1,2]=4 11 B15R1.8018 CC(C)(C)CCC(=O)c1ccccc1Cl 1458a_100000185844_100000755188 [0,0,0,0,0,0|1,0,2]=3 12 B15R1.8018 CC(C)(C)CCC(=O)c1ccccc1F 1458a_100000188656_100000755188 [0,0,0,0,0,0|1,1,2]=4 13 B15R1.8018 CC(C)(C)CCC(=O)c1ccccc1I 1458a_100000187884_100000755188 [0,0,0,0,0,0|1,1,2]=4 14 B15R1.8018 CC(C)(C)CCC(=O)c1ccccc1O 1458a_100015234032_100000755188 [0,0,0,0,0,0|2,0,2]=4 15 B15R1.8018 CC(C)(C)CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000755188 [0,0,0,0,0,0|2,0,2]=4 16 B15R1.8018 CC(C)(C)CNC(=O)c1ccccc1Cl 11a_100000743828_100000185844 [0,0,0,0,0,0|2,0,2]=4 17 B15R1.8018 CC(C)(C)CNC(=O)c1ccccc1Cl 1626a_100000743828_100000185844 [0,0,0,0,0,0|2,0,2]=4 18 B15R1.8018 CC(C)(C)CNC(=O)c1ccccc1Cl 240690a_100000743828_100000185844 [0,0,0,0,0,0|2,0,2]=4 19 B15R1.8018 CC(C)(C)CNC(=O)c1ccccc1Cl 527a_100000743828_100000185844 [0,0,0,0,0,0|2,0,2]=4 20 B15R1.8018 CC(C)(C)NCC(O)c1ccccc1Cl 34a_200000759403_100000210625 [0,0,0,0,0,0|0,0,0]=0 21 B15R1.8018 CC(C)(C)NNC(=O)c1ccccc1Br 22a_100000725372_100000188424 [0,0,0,0,0,0|1,1,2]=4 22 B15R1.8018 CC(C)(C)NNC(=O)c1ccccc1Cl 22a_100000725372_100000185844 [0,0,0,0,0,0|1,0,2]=3 23 B15R1.8018 CC(C)(C)NNC(=O)c1ccccc1F 22a_100000725372_100000188656 [0,0,0,0,0,0|1,1,2]=4 24 B15R1.8018 CC(C)(C)NNC(=O)c1ccccc1I 22a_100000725372_100000187884 [0,0,0,0,0,0|1,1,2]=4 25 B15R1.8018 CC(C)(C)NNC(=O)c1ccccc1O 22a_100000725372_100015234032 [0,0,0,0,0,0|2,0,2]=4 26 B15R1.8018 CC(C)(C)NNC(=O)c1ccccc1[O-] 22a_100000725372_100009911694 [0,0,0,0,0,0|2,0,2]=4 27 B15R1.8018 CC(C)(C)OCC(=O)c1ccccc1Br 34a_100015890283_100000199116 [0,0,0,0,0,0|1,1,2]=4 28 B15R1.8018 CC(C)(C)OCC(=O)c1ccccc1Cl 34a_100015890283_100000211432 [0,0,0,0,0,0|1,0,2]=3 29 B15R1.8018 CC(C)(C)OCC(=O)c1ccccc1F 34a_100015890283_100000204681 [0,0,0,0,0,0|1,1,2]=4 30 B15R1.8018 CC(C)(C)OCC(=O)c1ccccc1F 7a_100015890283_100000204681 [0,0,0,0,0,0|1,1,2]=4 31 B15R1.8018 CC(C)(C)OCC(=O)c1ccccc1O 7a_100015890283_100000188908 [0,0,0,0,0,0|2,0,2]=4 32 B15R1.8018 CC(C)(C)OCC(N)c1ccccc1Cl 34a_100138412506_100000210625 [0,0,0,0,0,0|2,0,0]=2 33 B15R1.8018 CC(C)(C)OCC(N)c1ccncc1Cl 34a_200020642286_100000210625 [0,0,0,0,0,0|3,0,0]=3 34 B15R1.8018 CC(C)(C)OC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210625 [0,0,0,0,0,0|2,1,0]=3 35 B15R1.8018 CC(C)(C)OC[C@H](N)c1ccccc1F 34a_100009818778_100000210625 [0,0,0,0,0,0|2,1,0]=3 36 B15R1.8018 CC(C)(C)SCC(=O)c1ccccc1Br 62a_100000199116_100000211941 [0,0,0,0,0,0|1,1,2]=4 37 B15R1.8018 CC(C)(C)SCC(=O)c1ccccc1Cl 62a_100000211432_100000211941 [0,0,0,0,0,0|1,0,2]=3 38 B15R1.8018 CC(C)(C)SCC(=O)c1ccccc1Cl 62a_100000211941_100000211432 [0,0,0,0,0,0|1,0,2]=3 39 B15R1.8018 CC(C)(C)SCC(=O)c1ccccc1F 62a_100000204681_100000211941 [0,0,0,0,0,0|1,1,2]=4 40 B15R1.8018 CC(C)(C)SCC(=O)c1ccccc1F 62a_100000211941_100000204681 [0,0,0,0,0,0|1,1,2]=4 41 B15R1.8018 CC(C)(C)SCC(=O)c1ccccc1O 62a_100000188908_100000211941 [0,0,0,0,0,0|2,0,2]=4 42 B15R1.8018 CC(C)(C)SCC(=O)c1ccccc1O 62a_100000211941_100000188908 [0,0,0,0,0,0|2,0,2]=4 43 B15R1.8018 CC(NCC(C)(C)C)c1ccccc1Br 269862a_100000743828_100000187085 [0,0,0,0,0,0|3,1,0]=4 44 B15R1.8018 CC(NCC(C)(C)C)c1ccccc1Br 270004a_100000181357_100011204126 [0,0,0,0,0,0|3,1,0]=4 45 B15R1.8018 CC(NCC(C)(C)C)c1ccccc1Cl 2230a_100000743828_100000181259 [0,0,0,0,0,0|3,0,0]=3 46 B15R1.8018 CC(NCC(C)(C)C)c1ccccc1Cl 269862a_100000743828_100000210134 [0,0,0,0,0,0|3,0,0]=3 47 B15R1.8018 CC(NCC(C)(C)C)c1ccccc1Cl 270004a_100000174978_100011204126 [0,0,0,0,0,0|3,0,0]=3 48 B15R1.8018 CC(NCC(C)(C)C)c1ccccc1Cl 34a_100000174978_100011219605 [0,0,0,0,0,0|3,0,0]=3 49 B15R1.8018 CC(NCC(C)(C)C)c1ccccc1F 2230a_100000743828_200000741388 [0,0,0,0,0,0|3,1,0]=4 50 B15R1.8018 CC(NCC(C)(C)C)c1ccccc1F 269862a_100000743828_100000210632 [0,0,0,0,0,0|3,1,0]=4 51 B15R1.8018 CC(NCC(C)(C)C)c1ccccc1F 270004a_100000181408_100011204126 [0,0,0,0,0,0|3,1,0]=4 52 B15R1.8018 CC(NCC(C)(C)C)c1ccccc1F 34a_100000181408_100011219605 [0,0,0,0,0,0|3,1,0]=4 53 B15R1.8018 CC(NCC(C)(C)C)c1ccccc1I 269862a_100000743828_100000751169 [0,0,0,0,0,0|3,1,0]=4 54 B15R1.8018 CC(NCC(C)(C)C)c1ccncc1Cl 269862a_100000743828_100012001414 [0,0,0,0,0,0|4,0,0]=4 55 B15R1.8018 CC(NCC(C)(C)C)c1cnccc1Cl 269862a_100000743828_100160469449 [0,0,0,0,0,0|4,0,0]=4 56 B15R1.8018 CC(NCC(C)(C)C)c1ncccc1Cl 269862a_100000743828_100015267551 [0,0,0,0,0,0|4,0,0]=4 57 B15R1.8018 CC(NCC(C)(C)F)c1ccccc1Cl 2230a_100020643315_100000181259 [0,0,0,0,0,0|4,0,0]=4 58 B15R1.8018 CC(NCC(C)(C)F)c1ccccc1Cl 269862a_100020643315_100000210134 [0,0,0,0,0,0|4,0,0]=4 59 B15R1.8018 CC(NCC(C)(C)F)c1ccccc1Cl 34a_100000174978_100011997219 [0,0,0,0,0,0|4,0,0]=4 60 B15R1.8018 CC(NCC(C)(C)O)c1ccccc1Cl 2230a_100000751335_100000181259 [0,0,0,0,0,0|4,0,0]=4 61 B15R1.8018 CC(NCC(C)(C)O)c1ccccc1Cl 269862a_100000751335_100000210134 [0,0,0,0,0,0|4,0,0]=4 62 B15R1.8018 CC(NCC(C)(C)O)c1ccccc1Cl 34a_100000174978_100000764493 [0,0,0,0,0,0|4,0,0]=4 63 B15R1.8018 CC(NC[Si](C)(C)C)c1ccccc1Cl 2230a_100000174978_100000037933 [0,0,0,0,0,0|3,1,0]=4 64 B15R1.8018 CC(OCC(C)(C)C)c1ccccc1Br 34a_100000702211_100011219605 [0,0,0,0,0,0|3,1,0]=4 65 B15R1.8018 CC(OCC(C)(C)C)c1ccccc1Cl 34a_100000740796_100011219605 [0,0,0,0,0,0|3,0,0]=3 66 B15R1.8018 CC(OCC(C)(C)C)c1ccccc1F 34a_100000697922_100011219605 [0,0,0,0,0,0|3,1,0]=4 67 B15R1.8018 CC(OCC(C)(C)C)c1cccnc1Cl 34a_100009865335_100011219605 [0,0,0,0,0,0|4,0,0]=4 68 B15R1.8018 CC(OCC(C)(C)F)c1ccccc1Cl 34a_100000740796_100011997219 [0,0,0,0,0,0|4,0,0]=4 69 B15R1.8018 CC(OCC(C)(C)O)c1ccccc1Cl 34a_100000740796_100000764493 [0,0,0,0,0,0|4,0,0]=4 70 B15R1.8018 CC(OCC(C)(C)O)c1ccccc1Cl 7a_100000740796_100000764493 [0,0,0,0,0,0|4,0,0]=4 71 B15R1.8018 CC(OC[Si](C)(C)C)c1ccccc1Cl 7a_100000740796_100000233785 [0,0,0,0,0,0|3,1,0]=4 72 B15R1.8018 CC(SCC(C)(C)C)c1ccccc1F 62a_100011219605_200000741388 [0,0,0,0,0,0|3,1,0]=4 73 B15R1.8018 CC(SCC(C)(C)C)c1ccccc1F 62a_200000741388_100011219605 [0,0,0,0,0,0|3,1,0]=4 74 B15R1.8018 CC(SCC(C)(C)F)c1ccccc1Cl 62a_100000181259_100011997219 [0,0,0,0,0,0|4,0,0]=4 75 B15R1.8018 CC(SCC(C)(C)F)c1ccccc1Cl 62a_100011997219_100000181259 [0,0,0,0,0,0|4,0,0]=4 76 B15R1.8018 CC(SCC(C)(C)O)c1ccccc1Cl 62a_100000181259_100000764493 [0,0,0,0,0,0|4,0,0]=4 77 B15R1.8018 CC(SCC(C)(C)O)c1ccccc1Cl 62a_100000764493_100000181259 [0,0,0,0,0,0|4,0,0]=4 78 B15R1.8018 CC(SC[N+](C)(C)C)c1ccccc1Cl 62a_100000181259_200000036245 [0,0,0,0,0,0|4,0,0]=4 79 B15R1.8018 CC(SC[N+](C)(C)C)c1ccccc1Cl 62a_200000036245_100000181259 [0,0,0,0,0,0|4,0,0]=4 80 B15R1.8018 CN(CCC(C)(C)C)c1ccccc1Br 2230a_100020606079_100000755188 [0,0,0,0,0,0|3,1,0]=4 81 B15R1.8018 CN(CCC(C)(C)C)c1ccccc1Br 269982a_100020606079_100000755188 [0,0,0,0,0,0|3,1,0]=4 82 B15R1.8018 CN(CCC(C)(C)C)c1ccccc1Br 34a_100020606079_100000755188 [0,0,0,0,0,0|3,1,0]=4 83 B15R1.8018 CN(CCC(C)(C)C)c1ccccc1Cl 2230a_100000219374_100000755188 [0,0,0,0,0,0|3,0,0]=3 84 B15R1.8018 CN(CCC(C)(C)C)c1ccccc1Cl 269982a_100000219374_100000755188 [0,0,0,0,0,0|3,0,0]=3 85 B15R1.8018 CN(CCC(C)(C)C)c1ccccc1Cl 34a_100000219374_100000755188 [0,0,0,0,0,0|3,0,0]=3 86 B15R1.8018 CN(CCC(C)(C)C)c1ccccc1F 2230a_100000220357_100000755188 [0,0,0,0,0,0|3,1,0]=4 87 B15R1.8018 CN(CCC(C)(C)C)c1ccccc1F 269982a_100000220357_100000755188 [0,0,0,0,0,0|3,1,0]=4 88 B15R1.8018 CN(CCC(C)(C)C)c1ccccc1F 34a_100000220357_100000755188 [0,0,0,0,0,0|3,1,0]=4 89 B15R1.8018 CN(CCC(C)(C)C)c1ccccc1F 38a_100000220357_100000755188 [0,0,0,0,0,0|3,1,0]=4 90 B15R1.8018 CN(CCC(C)(C)C)c1ccccc1O 269982a_100000033821_100000755188 [0,0,0,0,0,0|4,0,0]=4 91 B15R1.8018 CN(CCC(C)(C)O)c1ccccc1Cl 2230a_100000219374_100000702414 [0,0,0,0,0,0|4,0,0]=4 92 B15R1.8018 CN(CCC(C)(C)O)c1ccccc1Cl 34a_100000219374_100000702414 [0,0,0,0,0,0|4,0,0]=4 93 B15R1.8018 CN(CC[N+](C)(C)C)c1ccccc1Cl 269982a_100000219374_100000085578 [0,0,0,0,0,0|4,0,0]=4 94 B15R1.8018 CN(CC[N+](C)(C)C)c1ccccc1Cl 34a_100000219374_100000085578 [0,0,0,0,0,0|4,0,0]=4 95 B15R1.8018 CN(CC[Si](C)(C)C)c1ccccc1Cl 2230a_100000219374_200000733723 [0,0,0,0,0,0|3,1,0]=4 96 B15R1.8018 CN(CC[Si](C)(C)C)c1ccccc1Cl 269982a_100000219374_200000733723 [0,0,0,0,0,0|3,1,0]=4 97 B15R1.8018 CN(CC[Si](C)(C)C)c1ccccc1Cl 34a_100000219374_200000733723 [0,0,0,0,0,0|3,1,0]=4 98 B15R1.8018 CS(=O)(=O)NCC(O)c1ccccc1Br 40a_100011236429_100000738038 [0,0,0,0,0,0|3,1,0]=4 99 B15R1.8018 CS(=O)(=O)NCC(O)c1ccccc1Cl 40a_200000759403_100000738038 [0,0,0,0,0,0|3,0,0]=3 100 B15R1.8018 C[C@@H](NCC(C)(C)C)c1ccccc1O 270004a_100025703389_100011204126 [0,0,0,0,0,0|4,0,0]=4 101 B15R1.8018 C[N+](C)(C)CCC(=O)c1ccccc1Cl 1458a_100000185844_100000085578 [0,0,0,0,0,0|2,0,2]=4 102 B15R1.8018 C[Si](C)(C)CCC(=O)c1ccccc1Cl 1458a_100000185844_200000733723 [0,0,0,0,0,0|1,1,2]=4 103 B15R1.8018 Cc1ccccc1C(=O)CCC(C)(C)C 1458a_100000212026_100000755188 [0,0,0,0,0,0|2,0,2]=4 104 B15R1.8018 Cc1ccccc1C(=O)CNC(C)(C)C 2230a_100000715429_100000741374 [0,0,0,0,0,0|1,0,2]=3 105 B15R1.8018 Cc1ccccc1C(=O)COC(C)(C)C 34a_100015890283_100000741374 [0,0,0,0,0,0|2,0,2]=4 106 B15R1.8018 Cc1ccccc1C(=O)COC(C)(C)C 7a_100015890283_100000741374 [0,0,0,0,0,0|2,0,2]=4 107 B15R1.8018 Cc1ccccc1C(=O)CSC(C)(C)C 62a_100000211941_100000741374 [0,0,0,0,0,0|2,0,2]=4 108 B15R1.8018 Cc1ccccc1C(=O)CSC(C)(C)C 62a_100000741374_100000211941 [0,0,0,0,0,0|2,0,2]=4 109 B15R1.8018 Cc1ccccc1C(=O)NNC(C)(C)C 22a_100000725372_100000212026 [0,0,0,0,0,0|2,0,2]=4 110 B15R1.8018 Cc1ccccc1C(C)NCC(C)(C)C 269862a_100000743828_100000211656 [0,0,0,0,0,0|4,0,0]=4 111 B15R1.8018 Cc1ccccc1C(C)NCC(C)(C)C 270004a_100000181355_100011204126 [0,0,0,0,0,0|4,0,0]=4 112 B15R1.8018 Cc1ccccc1C(C)NCC(C)(C)C 34a_100000181355_100011219605 [0,0,0,0,0,0|4,0,0]=4 113 B15R1.8018 Cc1ccccc1C(C)OCC(C)(C)C 34a_100000742021_100011219605 [0,0,0,0,0,0|4,0,0]=4 114 B15R1.8018 Cc1ccccc1N(C)CCC(C)(C)C 2230a_100000219699_100000755188 [0,0,0,0,0,0|4,0,0]=4 115 B15R1.8018 Cc1ccccc1N(C)CCC(C)(C)C 269982a_100000219699_100000755188 [0,0,0,0,0,0|4,0,0]=4 116 B15R1.8018 Cc1ccccc1N(C)CCC(C)(C)C 34a_100000219699_100000755188 [0,0,0,0,0,0|4,0,0]=4 117 B15R1.8018 OC(CNC(F)(F)F)c1ccccc1Cl 34a_200000759403_200103152311 [0,0,0,0,0,0|3,0,0]=3 118 B14R1.160 CC(=NNC(C)C)c1ccccc1Cl 4a_100000741168_100000210134 [1,0,0,0,0,0|2,0,1]=4 119 B14R1.160 CC(=O)NCC(O)c1ccccc1Br 240690a_100011236429_100015343762 [1,0,0,0,0,0|1,1,1]=4 120 B14R1.160 CC(=O)NCC(O)c1ccccc1Br 527a_100011236429_100103153847 [1,0,0,0,0,0|1,1,1]=4 121 B14R1.160 CC(=O)NCC(O)c1ccccc1Cl 240690a_200000759403_100015343762 [1,0,0,0,0,0|1,0,1]=3 122 B14R1.160 CC(=O)NCC(O)c1ccccc1Cl 527a_200000759403_100103153847 [1,0,0,0,0,0|1,0,1]=3 123 B14R1.160 CC(C)CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210312 [1,0,0,0,0,0|1,0,2]=4 124 B14R1.160 CC(C)CCN(C)c1ccccc1Cl 2230a_100000219374_100000210312 [1,0,0,0,0,0|3,0,0]=4 125 B14R1.160 CC(C)CCN(C)c1ccccc1Cl 269982a_100000219374_100000210312 [1,0,0,0,0,0|3,0,0]=4 126 B14R1.160 CC(C)CCN(C)c1ccccc1Cl 34a_100000219374_100000210312 [1,0,0,0,0,0|3,0,0]=4 127 B14R1.160 CC(C)CNC(C)c1ccccc1Cl 2230a_100000174978_100000210760 [1,0,0,0,0,0|3,0,0]=4 128 B14R1.160 CC(C)CNC(C)c1ccccc1Cl 2230a_100000210953_100000181259 [1,0,0,0,0,0|3,0,0]=4 129 B14R1.160 CC(C)CNC(C)c1ccccc1Cl 269862a_100000210953_100000210134 [1,0,0,0,0,0|3,0,0]=4 130 B14R1.160 CC(C)CNC(C)c1ccccc1Cl 270004a_100000174978_100000210432 [1,0,0,0,0,0|3,0,0]=4 131 B14R1.160 CC(C)CNC(C)c1ccccc1Cl 34a_100000174978_100000210624 [1,0,0,0,0,0|3,0,0]=4 132 B14R1.160 CC(C)COC(C)c1ccccc1Cl 34a_100000740796_100000210624 [1,0,0,0,0,0|3,0,0]=4 133 B14R1.160 CC(C)COC(C)c1ccccc1Cl 7a_100000740796_100000210760 [1,0,0,0,0,0|3,0,0]=4 134 B14R1.160 CC(C)CSC(C)c1ccccc1Cl 62a_100000181259_100000210760 [1,0,0,0,0,0|3,0,0]=4 135 B14R1.160 CC(C)CSC(C)c1ccccc1Cl 62a_100000210624_100000181259 [1,0,0,0,0,0|3,0,0]=4 136 B14R1.160 CC(C)NCC(=O)c1ccccc1Br 34a_100138425928_100000199116 [1,0,0,0,0,0|0,1,2]=4 137 B14R1.160 CC(C)NCC(=O)c1ccccc1Cl 34a_100138425928_100000211432 [1,0,0,0,0,0|0,0,2]=3 138 B14R1.160 CC(C)NCC(=O)c1ccccc1F 34a_100138425928_100000204681 [1,0,0,0,0,0|0,1,2]=4 139 B14R1.160 CC(C)NCC(O)c1ccccc1Br 2230a_100011236429_100000210206 [1,0,0,0,0,0|0,1,0]=2 140 B14R1.160 CC(C)NCC(O)c1ccccc1Cl 2230a_200000759403_100000210206 [1,0,0,0,0,0|0,0,0]=1 141 B14R1.160 CC(C)NCC(O)c1ccccc1Cl 34a_200000759403_100000210206 [1,0,0,0,0,0|0,0,0]=1 142 B14R1.160 CC(C)NNC(=O)c1ccccc1Cl 22a_100000741168_100000185844 [1,0,0,0,0,0|1,0,2]=4 143 B14R1.160 CC(C)OCC(=O)c1ccccc1Cl 34a_100000212225_100000211432 [1,0,0,0,0,0|1,0,2]=4 144 B14R1.160 CC(C)OCC(N)c1ccccc1Cl 34a_100138412506_100000210206 [1,0,0,0,0,0|2,0,0]=3 145 B14R1.160 CC(C)OCC(N)c1ccncc1Cl 34a_200020642286_100000210206 [1,0,0,0,0,0|3,0,0]=4 146 B14R1.160 CC(C)OCN(C)c1ccccc1Cl 2230a_100000219374_100000709892 [1,0,0,0,0,0|3,0,0]=4 147 B14R1.160 CC(C)OCN(C)c1ccccc1Cl 269982a_100000219374_100000709892 [1,0,0,0,0,0|3,0,0]=4 148 B14R1.160 CC(C)OCN(C)c1ccccc1Cl 34a_100000219374_100000709892 [1,0,0,0,0,0|3,0,0]=4 149 B14R1.160 CC(C)OC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210206 [1,0,0,0,0,0|2,1,0]=4 150 B14R1.160 CC(C)OC[C@H](N)c1ccccc1F 34a_100009818778_100000210206 [1,0,0,0,0,0|2,1,0]=4 151 B14R1.160 CC(C)SCC(=O)c1ccccc1Cl 62a_100000210206_100000211432 [1,0,0,0,0,0|1,0,2]=4 152 B14R1.160 CC(C)SCC(=O)c1ccccc1Cl 62a_100000211432_100000210206 [1,0,0,0,0,0|1,0,2]=4 153 B14R1.160 Cc1ccccc1C(=O)CNC(C)C 2230a_100138425928_100000741374 [1,0,0,0,0,0|1,0,2]=4 154 B14R1.160 Cc1ccccc1C(=O)CNC(C)C 34a_100138425928_100000741374 [1,0,0,0,0,0|1,0,2]=4 155 B14R1.242 CC(C)(C)CCNc1ccccc1Br 34a_100000210017_100000755188 [1,0,0,0,0,0|2,1,0]=4 156 B14R1.242 CC(C)(C)CCNc1ccccc1Cl 34a_100000185783_100000755188 [1,0,0,0,0,0|2,0,0]=3 157 B14R1.242 CC(C)(C)CCNc1ccccc1F 34a_100000210422_100000755188 [1,0,0,0,0,0|2,1,0]=4 158 B14R1.242 CC(C)(C)CCNc1ccccc1I 34a_100000210053_100000755188 [1,0,0,0,0,0|2,1,0]=4 159 B14R1.242 CC(C)(C)CCNc1ccccc1O 34a_100000185747_100000755188 [1,0,0,0,0,0|3,0,0]=4 160 B14R1.242 CC(C)(C)CCOc1ccccc1Br 34a_100000181306_100000755188 [1,0,0,0,0,0|2,1,0]=4 161 B14R1.242 CC(C)(C)CCOc1ccccc1Br 7a_100000181306_100000755188 [1,0,0,0,0,0|2,1,0]=4 162 B14R1.242 CC(C)(C)CCOc1ccccc1Cl 34a_100000210172_100000755188 [1,0,0,0,0,0|2,0,0]=3 163 B14R1.242 CC(C)(C)CCOc1ccccc1Cl 7a_100000210172_100000755188 [1,0,0,0,0,0|2,0,0]=3 164 B14R1.242 CC(C)(C)CCOc1ccccc1F 34a_100000210171_100000755188 [1,0,0,0,0,0|2,1,0]=4 165 B14R1.242 CC(C)(C)CCOc1ccccc1F 7a_100000210171_100000755188 [1,0,0,0,0,0|2,1,0]=4 166 B14R1.242 CC(C)(C)CCOc1ccccc1I 34a_100000739446_100000755188 [1,0,0,0,0,0|2,1,0]=4 167 B14R1.242 CC(C)(C)CCOc1ccccc1I 7a_100000739446_100000755188 [1,0,0,0,0,0|2,1,0]=4 168 B14R1.242 CC(C)(C)CCOc1ccccc1N 34a_100000185747_100000755188 [1,0,0,0,0,0|3,0,0]=4 169 B14R1.242 CC(C)(C)CCOc1ccccc1N 7a_100000185747_100000755188 [1,0,0,0,0,0|3,0,0]=4 170 B14R1.242 CC(C)(C)CCOc1cccnc1Cl 34a_100000757616_100000755188 [1,0,0,0,0,0|3,0,0]=4 171 B14R1.242 CC(C)(C)CCOc1cccnc1Cl 7a_100000757616_100000755188 [1,0,0,0,0,0|3,0,0]=4 172 B14R1.242 CC(C)(C)CCOc1ccncc1Cl 34a_100011997054_100000755188 [1,0,0,0,0,0|3,0,0]=4 173 B14R1.242 CC(C)(C)CCOc1cnccc1Cl 34a_100011996695_100000755188 [1,0,0,0,0,0|3,0,0]=4 174 B14R1.242 CC(C)(C)CCOc1ncccc1Cl 34a_100011290957_100000755188 [1,0,0,0,0,0|3,0,0]=4 175 B14R1.242 CC(C)(C)CCSc1ccccc1Br 62a_100000695589_100000755188 [1,0,0,0,0,0|2,1,0]=4 176 B14R1.242 CC(C)(C)CCSc1ccccc1Br 62a_100000755188_100000695589 [1,0,0,0,0,0|2,1,0]=4 177 B14R1.242 CC(C)(C)CCSc1ccccc1Cl 62a_100000755188_100000764095 [1,0,0,0,0,0|2,0,0]=3 178 B14R1.242 CC(C)(C)CCSc1ccccc1Cl 62a_100000764095_100000755188 [1,0,0,0,0,0|2,0,0]=3 179 B14R1.242 CC(C)(C)CCSc1ccccc1F 62a_100000755188_100011215700 [1,0,0,0,0,0|2,1,0]=4 180 B14R1.242 CC(C)(C)CCSc1ccccc1F 62a_100011215700_100000755188 [1,0,0,0,0,0|2,1,0]=4 181 B14R1.242 CC(C)(C)CCSc1ccccc1N 62a_100000210017_100000755188 [1,0,0,0,0,0|3,0,0]=4 182 B14R1.242 CC(C)(C)CCSc1ccccc1N 62a_100000755188_100000210017 [1,0,0,0,0,0|3,0,0]=4 183 B14R1.242 CC(C)(C)CCSc1ccccc1O 62a_100000739446_100000755188 [1,0,0,0,0,0|3,0,0]=4 184 B14R1.242 CC(C)(C)CCSc1ccccc1O 62a_100000755188_100000739446 [1,0,0,0,0,0|3,0,0]=4 185 B14R1.242 CC(C)(C)CCSc1cccnc1Cl 62a_100000036424_100000755188 [1,0,0,0,0,0|3,0,0]=4 186 B14R1.242 CC(C)(C)CCSc1cccnc1Cl 62a_100000755188_100000036424 [1,0,0,0,0,0|3,0,0]=4 187 B14R1.242 CC(C)(C)CCSc1ccncc1Cl 62a_100000708259_100000755188 [1,0,0,0,0,0|3,0,0]=4 188 B14R1.242 CC(C)(C)CCSc1ccncc1Cl 62a_100000755188_100000708259 [1,0,0,0,0,0|3,0,0]=4 189 B14R1.242 CC(C)(C)CCSc1cnccc1Cl 62a_100000755188_100009995489 [1,0,0,0,0,0|3,0,0]=4 190 B14R1.242 CC(C)(C)CCSc1cnccc1Cl 62a_100009995489_100000755188 [1,0,0,0,0,0|3,0,0]=4 191 B14R1.242 CC(C)(C)CCSc1ncccc1Cl 62a_100000755188_100011356963 [1,0,0,0,0,0|3,0,0]=4 192 B14R1.242 CC(C)(C)CCSc1ncccc1Cl 62a_100011356963_100000755188 [1,0,0,0,0,0|3,0,0]=4 193 B14R1.242 CC(C)(C)CNCc1ccccc1Br 207a_100000743828_100000211189 [1,0,0,0,0,0|2,1,0]=4 194 B14R1.242 CC(C)(C)CNCc1ccccc1Br 2230a_100000743828_100000184730 [1,0,0,0,0,0|2,1,0]=4 195 B14R1.242 CC(C)(C)CNCc1ccccc1Br 26a_100000743828_100000181306 [1,0,0,0,0,0|2,1,0]=4 196 B14R1.242 CC(C)(C)CNCc1ccccc1Br 270004a_100000689332_100011204126 [1,0,0,0,0,0|2,1,0]=4 197 B14R1.242 CC(C)(C)CNCc1ccccc1Br 270004a_100000743828_100000211189 [1,0,0,0,0,0|2,1,0]=4 198 B14R1.242 CC(C)(C)CNCc1ccccc1Br 34a_100000689332_100011219605 [1,0,0,0,0,0|2,1,0]=4 199 B14R1.242 CC(C)(C)CNCc1ccccc1Cl 207a_100000743828_100000210073 [1,0,0,0,0,0|2,0,0]=3 200 B14R1.242 CC(C)(C)CNCc1ccccc1Cl 2230a_100000743828_100000187162 [1,0,0,0,0,0|2,0,0]=3 201 B14R1.242 CC(C)(C)CNCc1ccccc1Cl 26a_100000743828_100000210172 [1,0,0,0,0,0|2,0,0]=3 202 B14R1.242 CC(C)(C)CNCc1ccccc1Cl 270004a_100000174879_100011204126 [1,0,0,0,0,0|2,0,0]=3 203 B14R1.242 CC(C)(C)CNCc1ccccc1Cl 270004a_100000743828_100000210073 [1,0,0,0,0,0|2,0,0]=3 204 B14R1.242 CC(C)(C)CNCc1ccccc1Cl 34a_100000174879_100011219605 [1,0,0,0,0,0|2,0,0]=3 205 B14R1.242 CC(C)(C)CNCc1ccccc1F 207a_100000743828_100000210811 [1,0,0,0,0,0|2,1,0]=4 206 B14R1.242 CC(C)(C)CNCc1ccccc1F 2230a_100000743828_100000211605 [1,0,0,0,0,0|2,1,0]=4 207 B14R1.242 CC(C)(C)CNCc1ccccc1F 270004a_100000174869_100011204126 [1,0,0,0,0,0|2,1,0]=4 208 B14R1.242 CC(C)(C)CNCc1ccccc1F 270004a_100000743828_100000210811 [1,0,0,0,0,0|2,1,0]=4 209 B14R1.242 CC(C)(C)CNCc1ccccc1F 34a_100000174869_100011219605 [1,0,0,0,0,0|2,1,0]=4 210 B14R1.242 CC(C)(C)CNCc1ccccc1I 207a_100000743828_100000010305 [1,0,0,0,0,0|2,1,0]=4 211 B14R1.242 CC(C)(C)CNCc1ccccc1I 2230a_100000743828_100011215278 [1,0,0,0,0,0|2,1,0]=4 212 B14R1.242 CC(C)(C)CNCc1ccccc1I 270004a_100000743828_100000010305 [1,0,0,0,0,0|2,1,0]=4 213 B14R1.242 CC(C)(C)CNCc1ccccc1I 270004a_100015347259_100011204126 [1,0,0,0,0,0|2,1,0]=4 214 B14R1.242 CC(C)(C)CNCc1ccccc1O 270004a_100000185550_100011204126 [1,0,0,0,0,0|3,0,0]=4 215 B14R1.242 CC(C)(C)CNCc1ccccc1O 34a_100000185550_100011219605 [1,0,0,0,0,0|3,0,0]=4 216 B14R1.242 CC(C)(C)CNCc1cccnc1Cl 2230a_100000743828_100000045678 [1,0,0,0,0,0|3,0,0]=4 217 B14R1.242 CC(C)(C)CNCc1cccnc1Cl 34a_100015189234_100011219605 [1,0,0,0,0,0|3,0,0]=4 218 B14R1.242 CC(C)(C)CNCc1ccncc1Cl 207a_100000743828_100011934409 [1,0,0,0,0,0|3,0,0]=4 219 B14R1.242 CC(C)(C)CNCc1ccncc1Cl 2230a_100000743828_100000763264 [1,0,0,0,0,0|3,0,0]=4 220 B14R1.242 CC(C)(C)CNCc1ccncc1Cl 270004a_100000743828_100011934409 [1,0,0,0,0,0|3,0,0]=4 221 B14R1.242 CC(C)(C)CNCc1cnccc1Cl 270004a_100000743828_100000050567 [1,0,0,0,0,0|3,0,0]=4 222 B14R1.242 CC(C)(C)CNCc1ncccc1Cl 207a_100000743828_100012001307 [1,0,0,0,0,0|3,0,0]=4 223 B14R1.242 CC(C)(C)CNCc1ncccc1Cl 2230a_100000743828_100000099807 [1,0,0,0,0,0|3,0,0]=4 224 B14R1.242 CC(C)(C)CNCc1ncccc1Cl 270004a_100000743828_100012001307 [1,0,0,0,0,0|3,0,0]=4 225 B14R1.242 CC(C)(C)CNCc1ncccc1Cl 270004a_100015189233_100011204126 [1,0,0,0,0,0|3,0,0]=4 226 B14R1.242 CC(C)(C)COCc1ccccc1Br 34a_100000756307_100011219605 [1,0,0,0,0,0|2,1,0]=4 227 B14R1.242 CC(C)(C)COCc1ccccc1Cl 34a_100000210847_100011219605 [1,0,0,0,0,0|2,0,0]=3 228 B14R1.242 CC(C)(C)COCc1ccccc1F 34a_100000211962_100011219605 [1,0,0,0,0,0|2,1,0]=4 229 B14R1.242 CC(C)(C)COCc1ccccc1I 34a_100000187465_100011219605 [1,0,0,0,0,0|2,1,0]=4 230 B14R1.242 CC(C)(C)COCc1ccccc1N 34a_100000212039_100011219605 [1,0,0,0,0,0|3,0,0]=4 231 B14R1.242 CC(C)(C)COCc1cccnc1Cl 34a_100000748726_100011219605 [1,0,0,0,0,0|3,0,0]=4 232 B14R1.242 CC(C)(C)COCc1cnccc1Cl 34a_100000117392_100011219605 [1,0,0,0,0,0|3,0,0]=4 233 B14R1.242 CC(C)(C)COCc1ncccc1Cl 34a_100012002383_100011219605 [1,0,0,0,0,0|3,0,0]=4 234 B14R1.242 CC(C)(C)CSCc1ccccc1Br 62a_100000184730_100011219605 [1,0,0,0,0,0|2,1,0]=4 235 B14R1.242 CC(C)(C)CSCc1ccccc1Br 62a_100011219605_100000184730 [1,0,0,0,0,0|2,1,0]=4 236 B14R1.242 CC(C)(C)CSCc1ccccc1Cl 62a_100000187162_100011219605 [1,0,0,0,0,0|2,0,0]=3 237 B14R1.242 CC(C)(C)CSCc1ccccc1Cl 62a_100011219605_100000187162 [1,0,0,0,0,0|2,0,0]=3 238 B14R1.242 CC(C)(C)CSCc1ccccc1F 62a_100000211605_100011219605 [1,0,0,0,0,0|2,1,0]=4 239 B14R1.242 CC(C)(C)CSCc1ccccc1F 62a_100011219605_100000211605 [1,0,0,0,0,0|2,1,0]=4 240 B14R1.242 CC(C)(C)CSCc1ccccc1I 62a_100011216222_100011219605 [1,0,0,0,0,0|2,1,0]=4 241 B14R1.242 CC(C)(C)CSCc1ccccc1I 62a_100011219605_100011216222 [1,0,0,0,0,0|2,1,0]=4 242 B14R1.242 CC(C)(C)CSCc1cccnc1Cl 62a_100000045678_100011219605 [1,0,0,0,0,0|3,0,0]=4 243 B14R1.242 CC(C)(C)CSCc1cccnc1Cl 62a_100011219605_100000045678 [1,0,0,0,0,0|3,0,0]=4 244 B14R1.242 CC(C)(C)CSCc1ccncc1Cl 62a_100000763264_100011219605 [1,0,0,0,0,0|3,0,0]=4 245 B14R1.242 CC(C)(C)CSCc1ccncc1Cl 62a_100011219605_100000763264 [1,0,0,0,0,0|3,0,0]=4 246 B14R1.242 CC(C)(C)CSCc1ncccc1Cl 62a_100000099807_100011219605 [1,0,0,0,0,0|3,0,0]=4 247 B14R1.242 CC(C)(C)CSCc1ncccc1Cl 62a_100011219605_100000099807 [1,0,0,0,0,0|3,0,0]=4 248 B14R1.242 CC(C)(C)NCCc1ccccc1Br 2230a_100000715429_100012161201 [1,0,0,0,0,0|0,1,0]=2 249 B14R1.242 CC(C)(C)NCCc1ccccc1Br 34a_100000747383_100000210625 [1,0,0,0,0,0|0,1,0]=2 250 B14R1.242 CC(C)(C)NCCc1ccccc1Cl 2230a_100000715429_100011713703 [1,0,0,0,0,0|0,0,0]=1 251 B14R1.242 CC(C)(C)NCCc1ccccc1Cl 34a_100011207228_100000210625 [1,0,0,0,0,0|0,0,0]=1 252 B14R1.242 CC(C)(C)NCCc1ccccc1F 2230a_100000715429_100011713696 [1,0,0,0,0,0|0,1,0]=2 253 B14R1.242 CC(C)(C)NCCc1ccccc1F 34a_100000185272_100000210625 [1,0,0,0,0,0|0,1,0]=2 254 B14R1.242 CC(C)(C)NCCc1ccccc1O 34a_100011207237_100000210625 [1,0,0,0,0,0|1,0,0]=2 255 B14R1.242 CC(C)(C)NN=Cc1ccccc1Br 4a_100000725372_100000211189 [1,0,0,0,0,0|1,1,1]=4 256 B14R1.242 CC(C)(C)NN=Cc1ccccc1Cl 4a_100000725372_100000210073 [1,0,0,0,0,0|1,0,1]=3 257 B14R1.242 CC(C)(C)NN=Cc1ccccc1F 4a_100000725372_100000210811 [1,0,0,0,0,0|1,1,1]=4 258 B14R1.242 CC(C)(C)NN=Cc1ccccc1I 4a_100000725372_100000010305 [1,0,0,0,0,0|1,1,1]=4 259 B14R1.242 CC(C)(C)NN=Cc1ccccc1O 4a_100000725372_100000185834 [1,0,0,0,0,0|2,0,1]=4 260 B14R1.242 CC(C)(C)NN=Cc1cccnc1Cl 4a_100000725372_100000749341 [1,0,0,0,0,0|2,0,1]=4 261 B14R1.242 CC(C)(C)NN=Cc1ccncc1Cl 4a_100000725372_100011934409 [1,0,0,0,0,0|2,0,1]=4 262 B14R1.242 CC(C)(C)NN=Cc1cnccc1Cl 4a_100000725372_100000050567 [1,0,0,0,0,0|2,0,1]=4 263 B14R1.242 CC(C)(C)NN=Cc1ncccc1Cl 4a_100000725372_100012001307 [1,0,0,0,0,0|2,0,1]=4 264 B14R1.242 CC(C)(C)OCCc1ccccc1Br 34a_100000731337_100000210625 [1,0,0,0,0,0|1,1,0]=3 265 B14R1.242 CC(C)(C)OCCc1ccccc1Br 34a_100015890283_100012161201 [1,0,0,0,0,0|1,1,0]=3 266 B14R1.242 CC(C)(C)OCCc1ccccc1Br 7a_100015890283_100012161201 [1,0,0,0,0,0|1,1,0]=3 267 B14R1.242 CC(C)(C)OCCc1ccccc1Cl 34a_100011215284_100000210625 [1,0,0,0,0,0|1,0,0]=2 268 B14R1.242 CC(C)(C)OCCc1ccccc1Cl 34a_100015890283_100011713703 [1,0,0,0,0,0|1,0,0]=2 269 B14R1.242 CC(C)(C)OCCc1ccccc1Cl 7a_100015890283_100011713703 [1,0,0,0,0,0|1,0,0]=2 270 B14R1.242 CC(C)(C)OCCc1ccccc1F 34a_100000753711_100000210625 [1,0,0,0,0,0|1,1,0]=3 271 B14R1.242 CC(C)(C)OCCc1ccccc1F 34a_100015890283_100000720011 [1,0,0,0,0,0|1,1,0]=3 272 B14R1.242 CC(C)(C)OCCc1ccccc1F 7a_100015890283_100000720011 [1,0,0,0,0,0|1,1,0]=3 273 B14R1.242 CC(C)(C)OCCc1ccccc1I 34a_100010255290_100000210625 [1,0,0,0,0,0|1,1,0]=3 274 B14R1.242 CC(C)(C)OCCc1ccccc1N 34a_100011215289_100000210625 [1,0,0,0,0,0|2,0,0]=3 275 B14R1.242 CC(C)(C)OCCc1ccccc1O 34a_100015890283_100000722297 [1,0,0,0,0,0|2,0,0]=3 276 B14R1.242 CC(C)(C)OCCc1ccccc1O 7a_100015890283_100000722297 [1,0,0,0,0,0|2,0,0]=3 277 B14R1.242 CC(C)(C)SCCc1ccccc1Br 62a_100000211941_100012161201 [1,0,0,0,0,0|1,1,0]=3 278 B14R1.242 CC(C)(C)SCCc1ccccc1Br 62a_100012161201_100000211941 [1,0,0,0,0,0|1,1,0]=3 279 B14R1.242 CC(C)(C)SCCc1ccccc1Cl 62a_100000211941_100011713703 [1,0,0,0,0,0|1,0,0]=2 280 B14R1.242 CC(C)(C)SCCc1ccccc1Cl 62a_100011713703_100000211941 [1,0,0,0,0,0|1,0,0]=2 281 B14R1.242 CC(C)(C)SCCc1ccccc1F 62a_100000211941_100011713696 [1,0,0,0,0,0|1,1,0]=3 282 B14R1.242 CC(C)(C)SCCc1ccccc1F 62a_100011713696_100000211941 [1,0,0,0,0,0|1,1,0]=3 283 B14R1.242 CC(C)(C)SCCc1ccccc1O 62a_100000211941_100000722297 [1,0,0,0,0,0|2,0,0]=3 284 B14R1.242 CC(C)(C)SCCc1ccccc1O 62a_100000722297_100000211941 [1,0,0,0,0,0|2,0,0]=3 285 B14R1.242 CC(C)(F)CNCc1ccccc1Cl 207a_100020643315_100000210073 [1,0,0,0,0,0|3,0,0]=4 286 B14R1.242 CC(C)(F)CNCc1ccccc1Cl 2230a_100020643315_100000187162 [1,0,0,0,0,0|3,0,0]=4 287 B14R1.242 CC(C)(F)CNCc1ccccc1Cl 270004a_100020643315_100000210073 [1,0,0,0,0,0|3,0,0]=4 288 B14R1.242 CC(C)(F)CNCc1ccccc1Cl 34a_100000174879_100011997219 [1,0,0,0,0,0|3,0,0]=4 289 B14R1.242 CC(C)(F)COCc1ccccc1Cl 34a_100000210847_100011997219 [1,0,0,0,0,0|3,0,0]=4 290 B14R1.242 CC(C)(F)COCc1ccccc1Cl 34a_100000716592_100000187162 [1,0,0,0,0,0|3,0,0]=4 291 B14R1.242 CC(C)(F)CSCc1ccccc1Cl 62a_100000187162_100011997219 [1,0,0,0,0,0|3,0,0]=4 292 B14R1.242 CC(C)(F)CSCc1ccccc1Cl 62a_100011997219_100000187162 [1,0,0,0,0,0|3,0,0]=4 293 B14R1.242 CC(C)(O)CCNc1ccccc1Cl 34a_100000185783_100000702414 [1,0,0,0,0,0|3,0,0]=4 294 B14R1.242 CC(C)(O)CCOc1ccccc1Cl 34a_100000210172_100000702414 [1,0,0,0,0,0|3,0,0]=4 295 B14R1.242 CC(C)(O)CCOc1ccccc1Cl 7a_100000210172_100000702414 [1,0,0,0,0,0|3,0,0]=4 296 B14R1.242 CC(C)(O)CCSc1ccccc1Cl 62a_100000702414_100000764095 [1,0,0,0,0,0|3,0,0]=4 297 B14R1.242 CC(C)(O)CCSc1ccccc1Cl 62a_100000764095_100000702414 [1,0,0,0,0,0|3,0,0]=4 298 B14R1.242 CC(C)(O)CNCc1ccccc1Cl 207a_100000751335_100000210073 [1,0,0,0,0,0|3,0,0]=4 299 B14R1.242 CC(C)(O)CNCc1ccccc1Cl 2230a_100000751335_100000187162 [1,0,0,0,0,0|3,0,0]=4 300 B14R1.242 CC(C)(O)CNCc1ccccc1Cl 26a_100000751335_100000210172 [1,0,0,0,0,0|3,0,0]=4 301 B14R1.242 CC(C)(O)CNCc1ccccc1Cl 270004a_100000751335_100000210073 [1,0,0,0,0,0|3,0,0]=4 302 B14R1.242 CC(C)(O)CNCc1ccccc1Cl 34a_100000174879_100000764493 [1,0,0,0,0,0|3,0,0]=4 303 B14R1.242 CC(C)(O)COCc1ccccc1Cl 34a_100000210847_100000764493 [1,0,0,0,0,0|3,0,0]=4 304 B14R1.242 CC(C)(O)COCc1ccccc1Cl 7a_100000210847_100000764493 [1,0,0,0,0,0|3,0,0]=4 305 B14R1.242 CC(C)(O)CSCc1ccccc1Cl 62a_100000187162_100000764493 [1,0,0,0,0,0|3,0,0]=4 306 B14R1.242 CC(C)(O)CSCc1ccccc1Cl 62a_100000764493_100000187162 [1,0,0,0,0,0|3,0,0]=4 307 B14R1.242 CS(=O)(=O)NCCc1ccccc1Cl 40a_100011207228_100000738038 [1,0,0,0,0,0|3,0,0]=4 308 B14R1.242 C[N+](C)(C)CCNc1ccccc1Cl 34a_100000185783_100000085578 [1,0,0,0,0,0|3,0,0]=4 309 B14R1.242 C[N+](C)(C)CCOc1ccccc1Cl 34a_100000210172_100000085578 [1,0,0,0,0,0|3,0,0]=4 310 B14R1.242 C[N+](C)(C)CCOc1ccccc1Cl 7a_100000210172_100000085578 [1,0,0,0,0,0|3,0,0]=4 311 B14R1.242 C[N+](C)(C)CCSc1ccccc1Cl 62a_100000085578_100000764095 [1,0,0,0,0,0|3,0,0]=4 312 B14R1.242 C[N+](C)(C)CCSc1ccccc1Cl 62a_100000764095_100000085578 [1,0,0,0,0,0|3,0,0]=4 313 B14R1.242 C[N+](C)(C)CSCc1ccccc1Cl 62a_100000187162_200000036245 [1,0,0,0,0,0|3,0,0]=4 314 B14R1.242 C[N+](C)(C)CSCc1ccccc1Cl 62a_200000036245_100000187162 [1,0,0,0,0,0|3,0,0]=4 315 B14R1.242 C[Si](C)(C)/C=C/Cc1ccccc1Cl 271570a_100160482004_100000764095 [1,0,0,0,0,0|1,1,1]=4 316 B14R1.242 C[Si](C)(C)CCNc1ccccc1Cl 34a_100000185783_200000733723 [1,0,0,0,0,0|2,1,0]=4 317 B14R1.242 C[Si](C)(C)CCOc1ccccc1Cl 34a_100000210172_200000733723 [1,0,0,0,0,0|2,1,0]=4 318 B14R1.242 C[Si](C)(C)CCOc1ccccc1Cl 7a_100000210172_200000733723 [1,0,0,0,0,0|2,1,0]=4 319 B14R1.242 C[Si](C)(C)CCSc1ccccc1Cl 62a_100000764095_200000733723 [1,0,0,0,0,0|2,1,0]=4 320 B14R1.242 C[Si](C)(C)CCSc1ccccc1Cl 62a_200000733723_100000764095 [1,0,0,0,0,0|2,1,0]=4 321 B14R1.242 C[Si](C)(C)CNCc1ccccc1Cl 2230a_100000174879_100000037933 [1,0,0,0,0,0|2,1,0]=4 322 B14R1.242 C[Si](C)(C)CNCc1ccccc1Cl 26a_102516607284_100000210172 [1,0,0,0,0,0|2,1,0]=4 323 B14R1.242 C[Si](C)(C)COCc1ccccc1Cl 7a_100000210847_100000233785 [1,0,0,0,0,0|2,1,0]=4 324 B14R1.242 C[Si](C)(C)CSCc1ccccc1Cl 62a_100000037933_100000187162 [1,0,0,0,0,0|2,1,0]=4 325 B14R1.242 C[Si](C)(C)CSCc1ccccc1Cl 62a_100000187162_100000037933 [1,0,0,0,0,0|2,1,0]=4 326 B14R1.242 Cc1ccccc1C=NNC(C)(C)C 4a_100000725372_100000211143 [1,0,0,0,0,0|2,0,1]=4 327 B14R1.242 Cc1ccccc1CCNC(C)(C)C 2230a_100000715429_100011713688 [1,0,0,0,0,0|1,0,0]=2 328 B14R1.242 Cc1ccccc1CCNC(C)(C)C 34a_100000685071_100000210625 [1,0,0,0,0,0|1,0,0]=2 329 B14R1.242 Cc1ccccc1CCOC(C)(C)C 34a_100011220023_100000210625 [1,0,0,0,0,0|2,0,0]=3 330 B14R1.242 Cc1ccccc1CCOC(C)(C)C 34a_100015890283_100011713688 [1,0,0,0,0,0|2,0,0]=3 331 B14R1.242 Cc1ccccc1CCOC(C)(C)C 7a_100015890283_100011713688 [1,0,0,0,0,0|2,0,0]=3 332 B14R1.242 Cc1ccccc1CCSC(C)(C)C 62a_100000211941_100011713688 [1,0,0,0,0,0|2,0,0]=3 333 B14R1.242 Cc1ccccc1CCSC(C)(C)C 62a_100011713688_100000211941 [1,0,0,0,0,0|2,0,0]=3 334 B14R1.242 Cc1ccccc1CNCC(C)(C)C 207a_100000743828_100000211143 [1,0,0,0,0,0|3,0,0]=4 335 B14R1.242 Cc1ccccc1CNCC(C)(C)C 2230a_100000743828_100000211839 [1,0,0,0,0,0|3,0,0]=4 336 B14R1.242 Cc1ccccc1CNCC(C)(C)C 270004a_100000174972_100011204126 [1,0,0,0,0,0|3,0,0]=4 337 B14R1.242 Cc1ccccc1CNCC(C)(C)C 270004a_100000743828_100000211143 [1,0,0,0,0,0|3,0,0]=4 338 B14R1.242 Cc1ccccc1CNCC(C)(C)C 34a_100000174972_100011219605 [1,0,0,0,0,0|3,0,0]=4 339 B14R1.242 Cc1ccccc1COCC(C)(C)C 34a_100000698903_100011219605 [1,0,0,0,0,0|3,0,0]=4 340 B14R1.242 Cc1ccccc1CSCC(C)(C)C 62a_100000211839_100011219605 [1,0,0,0,0,0|3,0,0]=4 341 B14R1.242 Cc1ccccc1CSCC(C)(C)C 62a_100011219605_100000211839 [1,0,0,0,0,0|3,0,0]=4 342 B14R1.242 Cc1ccccc1NCCC(C)(C)C 34a_100015192222_100000755188 [1,0,0,0,0,0|3,0,0]=4 343 B14R1.242 Cc1ccccc1OCCC(C)(C)C 34a_100000210338_100000755188 [1,0,0,0,0,0|3,0,0]=4 344 B14R1.242 Cc1ccccc1OCCC(C)(C)C 7a_100000210338_100000755188 [1,0,0,0,0,0|3,0,0]=4 345 B14R1.242 Cc1ccccc1SCCC(C)(C)C 62a_100000210755_100000755188 [1,0,0,0,0,0|3,0,0]=4 346 B14R1.242 Cc1ccccc1SCCC(C)(C)C 62a_100000755188_100000210755 [1,0,0,0,0,0|3,0,0]=4 347 B14R1.242 Cc1cccnc1CCOC(C)(C)C 34a_100011997706_100000210625 [1,0,0,0,0,0|3,0,0]=4 348 B14R1.242 FC(F)(F)NCCc1ccccc1Cl 34a_100011207228_200103152311 [1,0,0,0,0,0|3,0,0]=4 349 B14R1.3098 CC(=NNC(C)(C)C)c1ccccc1 4a_100000725372_100000185851 [1,0,0,0,0,0|2,0,1]=4 350 B14R1.3098 CC(C)(C)CCC(=O)c1ccccc1 1458a_100000185807_100000755188 [1,0,0,0,0,0|1,0,2]=4 351 B14R1.3098 CC(C)(C)NCC(O)c1ccccc1 2230a_100000715429_100000185958 [1,0,0,0,0,0|0,0,0]=1 352 B14R1.3098 CC(C)(C)NC[C@@H](O)c1ccccc1 2230a_100000715429_100011933945 [1,0,0,0,0,0|0,0,0]=1 353 B14R1.3098 CC(C)(C)NNC(=O)c1ccccc1 22a_100000725372_100000185807 [1,0,0,0,0,0|1,0,2]=4 354 B14R1.3098 CC(C)(C)OCC(=O)c1ccccc1 7a_100015890283_100000211460 [1,0,0,0,0,0|1,0,2]=4 355 B14R1.3098 CC(C)(C)OCC(O)c1ccccc1 34a_100015890283_100000185958 [1,0,0,0,0,0|1,0,0]=2 356 B14R1.3098 CC(C)(C)OCC(O)c1ccccc1 7a_100015890283_100000185958 [1,0,0,0,0,0|1,0,0]=2 357 B14R1.3098 CC(C)(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210625 [1,0,0,0,0,0|2,0,0]=3 358 B14R1.3098 CC(C)(C)OC[C@@H](N)c1ccncc1 34a_100138412524_100000210625 [1,0,0,0,0,0|3,0,0]=4 359 B14R1.3098 CC(C)(C)OC[C@@H](O)c1ccccc1 34a_100015890283_100011933945 [1,0,0,0,0,0|1,0,0]=2 360 B14R1.3098 CC(C)(C)OC[C@@H](O)c1ccccc1 7a_100015890283_100011933945 [1,0,0,0,0,0|1,0,0]=2 361 B14R1.3098 CC(C)(C)SCC(=O)c1ccccc1 62a_100000211460_100000211941 [1,0,0,0,0,0|1,0,2]=4 362 B14R1.3098 CC(C)(C)SCC(=O)c1ccccc1 62a_100000211941_100000211460 [1,0,0,0,0,0|1,0,2]=4 363 B14R1.3098 CC(C)(C)SCC(O)c1ccccc1 62a_100000185958_100000211941 [1,0,0,0,0,0|1,0,0]=2 364 B14R1.3098 CC(C)(C)SCC(O)c1ccccc1 62a_100000211941_100000185958 [1,0,0,0,0,0|1,0,0]=2 365 B14R1.3098 CC(C)(C)SCS(=O)c1ccccc1 62a_100000211941_100000031784 [1,0,0,0,0,0|2,0,1]=4 366 B14R1.3098 CC(C)(C)SC[C@@H](O)c1ccccc1 62a_100000211941_100011933945 [1,0,0,0,0,0|1,0,0]=2 367 B14R1.3098 CC(C)(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000211941 [1,0,0,0,0,0|1,0,0]=2 368 B14R1.3098 CC(CNC(C)(C)C)c1ccccc1 2230a_100000715429_100000756946 [1,0,0,0,0,0|1,0,0]=2 369 B14R1.3098 CC(CNC(C)(C)C)c1ccccc1 34a_100000701038_100000210625 [1,0,0,0,0,0|1,0,0]=2 370 B14R1.3098 CC(COC(C)(C)C)c1ccccc1 34a_100011215166_100000210625 [1,0,0,0,0,0|2,0,0]=3 371 B14R1.3098 CC(COC(C)(C)C)c1ccccc1 34a_100015890283_100000756946 [1,0,0,0,0,0|2,0,0]=3 372 B14R1.3098 CC(COC(C)(C)C)c1ccccc1 7a_100015890283_100000756946 [1,0,0,0,0,0|2,0,0]=3 373 B14R1.3098 CC(CSC(C)(C)C)c1ccccc1 62a_100000211941_100000756946 [1,0,0,0,0,0|2,0,0]=3 374 B14R1.3098 CC(CSC(C)(C)C)c1ccccc1 62a_100000756946_100000211941 [1,0,0,0,0,0|2,0,0]=3 375 B14R1.3098 CC(NCC(C)(C)C)c1ccccc1 2230a_100000743828_100000230085 [1,0,0,0,0,0|3,0,0]=4 376 B14R1.3098 CC(NCC(C)(C)C)c1ccccc1 269862a_100000743828_100000185851 [1,0,0,0,0,0|3,0,0]=4 377 B14R1.3098 CC(SCC(C)(C)C)c1ccccc1 62a_100000230085_100011219605 [1,0,0,0,0,0|3,0,0]=4 378 B14R1.3098 CC(SCC(C)(C)C)c1ccccc1 62a_100011219605_100000230085 [1,0,0,0,0,0|3,0,0]=4 379 B14R1.3098 CN(CCC(C)(C)C)c1ccccc1 2230a_100000210012_100000755188 [1,0,0,0,0,0|3,0,0]=4 380 B14R1.3098 CN(CCC(C)(C)C)c1ccccc1 269982a_100000210012_100000755188 [1,0,0,0,0,0|3,0,0]=4 381 B14R1.3098 CN(CCC(C)(C)C)c1ccccc1 34a_100000210012_100000755188 [1,0,0,0,0,0|3,0,0]=4 382 B14R1.3098 CS(=O)(=O)NCC(O)c1ccccc1 40a_100000210709_100000738038 [1,0,0,0,0,0|3,0,0]=4 383 B14R1.3098 C[C@@H](NCC(C)(C)C)c1ccccc1 270004a_100000751104_100011204126 [1,0,0,0,0,0|3,0,0]=4 384 B14R1.3098 C[C@@H](OCC(C)(C)C)c1ccccc1 34a_100000761318_100011219605 [1,0,0,0,0,0|3,0,0]=4 385 B16R1.7305 CC(=NNC(C)(C)C)c1cccc(c1Cl)Br 4a_100000725372_100012349481 [0,1,0,0,0,0|2,0,1]=4 386 B16R1.7305 CC(=NNC(C)(C)C)c1cccc(c1Cl)Cl 4a_100000725372_100000756844 [0,1,0,0,0,0|2,0,1]=4 387 B16R1.7305 CC(=NNC(C)(C)C)c1cccc(c1Cl)F 4a_100000725372_100000699253 [0,1,0,0,0,0|2,0,1]=4 388 B16R1.7305 CC(C)(C)CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000755188 [0,1,0,0,0,0|1,0,2]=4 389 B16R1.7305 CC(C)(C)CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000755188 [0,1,0,0,0,0|1,0,2]=4 390 B16R1.7305 CC(C)(C)CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000755188 [0,1,0,0,0,0|1,0,2]=4 391 B16R1.7305 CC(C)(C)NCC(=O)c1cccc(c1F)Br 2230a_100000715429_100012356374 [0,1,0,0,0,0|0,1,2]=4 392 B16R1.7305 CC(C)(C)NCC(=O)c1cccc(c1F)Cl 2230a_100000715429_200012351890 [0,1,0,0,0,0|0,1,2]=4 393 B16R1.7305 CC(C)(C)NNC(=O)c1cccc(c1Cl)Br 22a_100000725372_100000760540 [0,1,0,0,0,0|1,0,2]=4 394 B16R1.7305 CC(C)(C)NNC(=O)c1cccc(c1Cl)Cl 22a_100000725372_100000183631 [0,1,0,0,0,0|1,0,2]=4 395 B16R1.7305 CC(C)(C)NNC(=O)c1cccc(c1Cl)F 22a_100000725372_100000759904 [0,1,0,0,0,0|1,0,2]=4 396 B16R1.7305 CC(C)(C)NNC(=O)c1cccc(c1Cl)I 22a_100000725372_100010176783 [0,1,0,0,0,0|1,0,2]=4 397 B16R1.7305 CC(C)(C)NNC(=O)c1cccc(c1Cl)O 22a_100000725372_100000092362 [0,1,0,0,0,0|1,0,2]=4 398 B16R1.7305 CC(NCC(C)(C)C)c1cccc(c1Cl)Br 269862a_100000743828_100012349481 [0,1,0,0,0,0|3,0,0]=4 399 B16R1.7305 CC(NCC(C)(C)C)c1cccc(c1Cl)Cl 269862a_100000743828_100000756844 [0,1,0,0,0,0|3,0,0]=4 400 B16R1.7305 CC(NCC(C)(C)C)c1cccc(c1Cl)Cl 270004a_100015335525_100011204126 [0,1,0,0,0,0|3,0,0]=4 401 B16R1.7305 CC(NCC(C)(C)C)c1cccc(c1Cl)Cl 34a_100015335525_100011219605 [0,1,0,0,0,0|3,0,0]=4 402 B16R1.7305 CC(NCC(C)(C)C)c1cccc(c1Cl)F 269862a_100000743828_100000699253 [0,1,0,0,0,0|3,0,0]=4 403 B16R1.7305 CC(NCC(C)(C)C)c1cccc(c1Cl)F 270004a_100103153465_100011204126 [0,1,0,0,0,0|3,0,0]=4 404 B16R1.7305 CC(NCC(C)(C)C)c1cccc(c1Cl)F 34a_100103153465_100011219605 [0,1,0,0,0,0|3,0,0]=4 405 B16R1.7305 CN(CCC(C)(C)C)c1cccc(c1Cl)Cl 2230a_100000742713_100000755188 [0,1,0,0,0,0|3,0,0]=4 406 B16R1.7305 CN(CCC(C)(C)C)c1cccc(c1Cl)Cl 269982a_100000742713_100000755188 [0,1,0,0,0,0|3,0,0]=4 407 B16R1.7305 CN(CCC(C)(C)C)c1cccc(c1Cl)Cl 34a_100000742713_100000755188 [0,1,0,0,0,0|3,0,0]=4 408 B16R1.7305 Cc1cccc(c1Cl)C(=O)CCC(C)(C)C 1458a_100000693142_100000755188 [0,1,0,0,0,0|1,0,2]=4 409 B16R1.7305 Cc1cccc(c1Cl)C(=O)NNC(C)(C)C 22a_100000725372_100000693142 [0,1,0,0,0,0|1,0,2]=4 410 B16R1.7420 CC(C(=O)CC(C)(C)C)c1ccccc1Cl 1458a_100000211214_100000181259 [0,1,0,0,0,0|2,0,1]=4 411 B16R1.7420 CC(C(=O)NC(C)(C)C)c1ccccc1Br 11a_100000715429_100012359601 [0,1,0,0,0,0|1,1,1]=4 412 B16R1.7420 CC(C(=O)NC(C)(C)C)c1ccccc1Br 1626a_100000715429_100012359601 [0,1,0,0,0,0|1,1,1]=4 413 B16R1.7420 CC(C(=O)NC(C)(C)C)c1ccccc1Br 240690a_100000715429_100012359601 [0,1,0,0,0,0|1,1,1]=4 414 B16R1.7420 CC(C(=O)NC(C)(C)C)c1ccccc1Br 527a_100000715429_100012359601 [0,1,0,0,0,0|1,1,1]=4 415 B16R1.7420 CC(C(=O)NC(C)(C)C)c1ccccc1Cl 11a_100000715429_100011667492 [0,1,0,0,0,0|1,0,1]=3 416 B16R1.7420 CC(C(=O)NC(C)(C)C)c1ccccc1Cl 1626a_100000715429_100011667492 [0,1,0,0,0,0|1,0,1]=3 417 B16R1.7420 CC(C(=O)NC(C)(C)C)c1ccccc1Cl 240690a_100000715429_100011667492 [0,1,0,0,0,0|1,0,1]=3 418 B16R1.7420 CC(C(=O)NC(C)(C)C)c1ccccc1Cl 527a_100000715429_100011667492 [0,1,0,0,0,0|1,0,1]=3 419 B16R1.7420 CC(C)(C)NC(=O)C(O)c1ccccc1Br 240690a_100000715429_200011356456 [0,1,0,0,0,0|0,1,1]=3 420 B16R1.7420 CC(C)(C)NC(=O)C(O)c1ccccc1Cl 240690a_100000715429_100011217820 [0,1,0,0,0,0|0,0,1]=2 421 B16R1.7420 CC(C)(C)NC(=O)C(O)c1ccccc1F 240690a_100000715429_100011219519 [0,1,0,0,0,0|0,1,1]=3 422 B16R1.7420 CC(NC(C)(C)C)C(=O)c1ccccc1Cl 2230a_100000715429_100010255250 [0,1,0,0,0,0|0,0,2]=3 423 B16R1.7420 CC(OC(C)(C)C)C(=O)c1ccccc1Cl 7a_100015890283_100010255250 [0,1,0,0,0,0|1,0,2]=4 424 B16R1.7420 CC(SC(C)(C)C)C(=O)c1ccccc1Cl 62a_100000211941_100010255250 [0,1,0,0,0,0|1,0,2]=4 425 B16R1.7420 CC(SC(C)(C)C)C(=O)c1ccccc1Cl 62a_100010255250_100000211941 [0,1,0,0,0,0|1,0,2]=4 426 B16R1.7420 CC(c1ccccc1Cl)N(C)CC(C)(C)C 2230a_100000742839_100000181259 [0,1,0,0,0,0|3,0,0]=4 427 B16R1.7420 CC(c1ccccc1Cl)N(C)CC(C)(C)C 269982a_100000742839_100000181259 [0,1,0,0,0,0|3,0,0]=4 428 B16R1.7420 CN(C(=O)NC(C)(C)C)c1ccccc1Cl 512a_100000715429_100000219374 [0,1,0,0,0,0|2,0,1]=4 429 B16R1.7420 C[Si](C)(C)CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000233785 [0,1,0,0,0,0|1,1,1]=4 430 B16R1.7463 CC(=NNC(C)(C)C)c1ccc(cc1Cl)Br 4a_100000725372_100000693907 [0,1,0,0,0,0|2,0,1]=4 431 B16R1.7463 CC(=NNC(C)(C)C)c1ccc(cc1Cl)Cl 4a_100000725372_100000210972 [0,1,0,0,0,0|2,0,1]=4 432 B16R1.7463 CC(=NNC(C)(C)C)c1ccc(cc1Cl)F 4a_100000725372_100000214953 [0,1,0,0,0,0|2,0,1]=4 433 B16R1.7463 CC(=NNC(C)(C)C)c1ccc(cc1Cl)O 4a_100000725372_100011933989 [0,1,0,0,0,0|2,0,1]=4 434 B16R1.7463 CC(C)(C)CCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000755188 [0,1,0,0,0,0|1,0,2]=4 435 B16R1.7463 CC(C)(C)CCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000755188 [0,1,0,0,0,0|1,0,2]=4 436 B16R1.7463 CC(C)(C)CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000755188 [0,1,0,0,0,0|1,0,2]=4 437 B16R1.7463 CC(C)(C)NCC(=O)c1ccc(cc1Cl)Cl 2230a_100000715429_100011218845 [0,1,0,0,0,0|0,0,2]=3 438 B16R1.7463 CC(C)(C)NCC(=O)c1ccc(cc1Cl)F 2230a_100000715429_100012056422 [0,1,0,0,0,0|0,0,2]=3 439 B16R1.7463 CC(C)(C)NC[C@@H](O)c1ccc(cc1F)F 2230a_100000715429_100000761269 [0,1,0,0,0,0|0,1,0]=2 440 B16R1.7463 CC(C)(C)NC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000715429_100000761231 [0,1,0,0,0,0|0,0,0]=1 441 B16R1.7463 CC(C)(C)NNC(=O)c1ccc(cc1Cl)Br 22a_100000725372_100000741628 [0,1,0,0,0,0|1,0,2]=4 442 B16R1.7463 CC(C)(C)NNC(=O)c1ccc(cc1Cl)Cl 22a_100000725372_100000185840 [0,1,0,0,0,0|1,0,2]=4 443 B16R1.7463 CC(C)(C)NNC(=O)c1ccc(cc1Cl)F 22a_100000725372_100000211397 [0,1,0,0,0,0|1,0,2]=4 444 B16R1.7463 CC(C)(C)NNC(=O)c1ccc(cc1Cl)I 22a_100000725372_100000751301 [0,1,0,0,0,0|1,0,2]=4 445 B16R1.7463 CC(C)(C)NNC(=O)c1ccc(cc1Cl)O 22a_100000725372_100000702456 [0,1,0,0,0,0|1,0,2]=4 446 B16R1.7463 CC(C)(C)OCC(=O)c1ccc(cc1Cl)F 34a_100015890283_100012056422 [0,1,0,0,0,0|1,0,2]=4 447 B16R1.7463 CC(C)(C)OC[C@@H](N)c1ccc(cc1Cl)F 34a_102531768864_100000210625 [0,1,0,0,0,0|2,0,0]=3 448 B16R1.7463 CC(C)(C)OC[C@@H](N)c1ccc(cc1F)F 34a_100138412331_100000210625 [0,1,0,0,0,0|2,1,0]=4 449 B16R1.7463 CC(C)(C)OC[C@@H](O)c1ccc(cc1F)F 34a_100015890283_100000761269 [0,1,0,0,0,0|1,1,0]=3 450 B16R1.7463 CC(C)(C)OC[C@@H](O)c1ccc(cc1F)F 7a_100015890283_100000761269 [0,1,0,0,0,0|1,1,0]=3 451 B16R1.7463 CC(C)(C)OC[C@H](O)c1ccc(cc1Cl)Cl 34a_100015890283_100000761231 [0,1,0,0,0,0|1,0,0]=2 452 B16R1.7463 CC(C)(C)OC[C@H](O)c1ccc(cc1Cl)Cl 7a_100015890283_100000761231 [0,1,0,0,0,0|1,0,0]=2 453 B16R1.7463 CC(C)(C)SCC(=O)c1ccc(cc1Cl)Cl 62a_100011218845_100000211941 [0,1,0,0,0,0|1,0,2]=4 454 B16R1.7463 CC(C)(C)SCC(=O)c1ccc(cc1Cl)F 62a_100000211941_100012056422 [0,1,0,0,0,0|1,0,2]=4 455 B16R1.7463 CC(C)(C)SCC(=O)c1ccc(cc1Cl)F 62a_100012056422_100000211941 [0,1,0,0,0,0|1,0,2]=4 456 B16R1.7463 CC(C)(C)SC[C@@H](O)c1ccc(cc1F)F 62a_100000211941_100000761269 [0,1,0,0,0,0|1,1,0]=3 457 B16R1.7463 CC(C)(C)SC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000211941 [0,1,0,0,0,0|1,1,0]=3 458 B16R1.7463 CC(C)(C)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000211941_100000761231 [0,1,0,0,0,0|1,0,0]=2 459 B16R1.7463 CC(C)(C)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000211941 [0,1,0,0,0,0|1,0,0]=2 460 B16R1.7463 CC(NCC(C)(C)C)c1ccc(cc1Cl)Br 269862a_100000743828_100000693907 [0,1,0,0,0,0|3,0,0]=4 461 B16R1.7463 CC(NCC(C)(C)C)c1ccc(cc1Cl)Cl 269862a_100000743828_100000210972 [0,1,0,0,0,0|3,0,0]=4 462 B16R1.7463 CC(NCC(C)(C)C)c1ccc(cc1Cl)Cl 270004a_100000179772_100011204126 [0,1,0,0,0,0|3,0,0]=4 463 B16R1.7463 CC(NCC(C)(C)C)c1ccc(cc1Cl)Cl 34a_100000179772_100011219605 [0,1,0,0,0,0|3,0,0]=4 464 B16R1.7463 CC(NCC(C)(C)C)c1ccc(cc1Cl)F 269862a_100000743828_100000214953 [0,1,0,0,0,0|3,0,0]=4 465 B16R1.7463 CC(OCC(C)(C)C)c1ccc(cc1Cl)F 34a_200011245020_100011219605 [0,1,0,0,0,0|3,0,0]=4 466 B16R1.7463 CN(CCC(C)(C)C)c1ccc(cc1Cl)Br 269982a_100000221650_100000755188 [0,1,0,0,0,0|3,0,0]=4 467 B16R1.7463 CN(CCC(C)(C)C)c1ccc(cc1Cl)Br 34a_100000221650_100000755188 [0,1,0,0,0,0|3,0,0]=4 468 B16R1.7463 CN(CCC(C)(C)C)c1ccc(cc1Cl)Cl 269982a_114849113696_100000755188 [0,1,0,0,0,0|3,0,0]=4 469 B16R1.7463 CN(CCC(C)(C)C)c1ccc(cc1Cl)Cl 34a_114849113696_100000755188 [0,1,0,0,0,0|3,0,0]=4 470 B16R1.7463 C[C@@H](NCC(C)(C)C)c1ccc(cc1Cl)F 270004a_100015196781_100011204126 [0,1,0,0,0,0|3,0,0]=4 471 B16R1.7463 C[C@@H](NCC(C)(C)C)c1ccc(cc1Cl)F 34a_100015196781_100011219605 [0,1,0,0,0,0|3,0,0]=4 472 B16R1.7463 Cc1cc(ccc1[C@H](N)COC(C)(C)C)Br 34a_100138412551_100000210625 [0,1,0,0,0,0|3,0,0]=4 473 B16R1.7463 Cc1ccc(c(c1)C)C(=O)CNC(C)(C)C 2230a_100000715429_100000229959 [0,1,0,0,0,0|1,0,2]=4 474 B16R1.7463 Cc1ccc(c(c1)Cl)C(=O)CCC(C)(C)C 1458a_100000766932_100000755188 [0,1,0,0,0,0|1,0,2]=4 475 B16R1.7463 Cc1ccc(c(c1)Cl)C(=O)NNC(C)(C)C 22a_100000725372_100000766932 [0,1,0,0,0,0|1,0,2]=4 476 B16R1.7493 CC(=NNC(C)(C)C)c1cc(ccc1Cl)Br 4a_100000725372_100011934286 [0,1,0,0,0,0|2,0,1]=4 477 B16R1.7493 CC(=NNC(C)(C)C)c1cc(ccc1Cl)Cl 4a_100000725372_100000184594 [0,1,0,0,0,0|2,0,1]=4 478 B16R1.7493 CC(=NNC(C)(C)C)c1cc(ccc1Cl)F 4a_100000725372_100011218795 [0,1,0,0,0,0|2,0,1]=4 479 B16R1.7493 CC(=NNC(C)(C)C)c1cc(ccc1Cl)I 4a_100000725372_100010712560 [0,1,0,0,0,0|2,0,1]=4 480 B16R1.7493 CC(=NNC(C)(C)C)c1cc(ccc1Cl)O 4a_100000725372_100009867868 [0,1,0,0,0,0|2,0,1]=4 481 B16R1.7493 CC(C)(C)CCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000755188 [0,1,0,0,0,0|1,0,2]=4 482 B16R1.7493 CC(C)(C)CCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000755188 [0,1,0,0,0,0|1,0,2]=4 483 B16R1.7493 CC(C)(C)CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000755188 [0,1,0,0,0,0|1,0,2]=4 484 B16R1.7493 CC(C)(C)NCC(=O)c1cc(ccc1Br)Cl 2230a_100000715429_100012361344 [0,1,0,0,0,0|0,1,2]=4 485 B16R1.7493 CC(C)(C)NCC(=O)c1cc(ccc1Cl)Cl 2230a_100000715429_100000183120 [0,1,0,0,0,0|0,0,2]=3 486 B16R1.7493 CC(C)(C)NNC(=O)c1cc(ccc1Cl)Br 22a_100000725372_100000211212 [0,1,0,0,0,0|1,0,2]=4 487 B16R1.7493 CC(C)(C)NNC(=O)c1cc(ccc1Cl)Cl 22a_100000725372_100000210642 [0,1,0,0,0,0|1,0,2]=4 488 B16R1.7493 CC(C)(C)NNC(=O)c1cc(ccc1Cl)F 22a_100000725372_100011219680 [0,1,0,0,0,0|1,0,2]=4 489 B16R1.7493 CC(C)(C)NNC(=O)c1cc(ccc1Cl)I 22a_100000725372_100000688013 [0,1,0,0,0,0|1,0,2]=4 490 B16R1.7493 CC(C)(C)NNC(=O)c1cc(ccc1Cl)O 22a_100000725372_100000719527 [0,1,0,0,0,0|1,0,2]=4 491 B16R1.7493 CC(C)(C)OCC(=O)c1cc(ccc1Cl)F 34a_100015890283_200010187420 [0,1,0,0,0,0|1,0,2]=4 492 B16R1.7493 CC(C)(C)OC[C@@H](N)c1cc(ccc1F)Br 34a_100010142275_100000210625 [0,1,0,0,0,0|2,1,0]=4 493 B16R1.7493 CC(C)(C)SCC(=O)c1cc(ccc1Cl)Cl 62a_100000183120_100000211941 [0,1,0,0,0,0|1,0,2]=4 494 B16R1.7493 CC(C)(C)SCC(=O)c1cc(ccc1Cl)F 62a_100000211941_200010187420 [0,1,0,0,0,0|1,0,2]=4 495 B16R1.7493 CC(C)(C)SCC(=O)c1cc(ccc1Cl)F 62a_200010187420_100000211941 [0,1,0,0,0,0|1,0,2]=4 496 B16R1.7493 CC(NCC(C)(C)C)c1cc(ccc1Cl)Br 269862a_100000743828_100011934286 [0,1,0,0,0,0|3,0,0]=4 497 B16R1.7493 CC(NCC(C)(C)C)c1cc(ccc1Cl)Cl 269862a_100000743828_100000184594 [0,1,0,0,0,0|3,0,0]=4 498 B16R1.7493 CC(NCC(C)(C)C)c1cc(ccc1Cl)Cl 270004a_100000737532_100011204126 [0,1,0,0,0,0|3,0,0]=4 499 B16R1.7493 CC(NCC(C)(C)C)c1cc(ccc1Cl)Cl 34a_100000737532_100011219605 [0,1,0,0,0,0|3,0,0]=4 500 B16R1.7493 CC(NCC(C)(C)C)c1cc(ccc1Cl)F 269862a_100000743828_100011218795 [0,1,0,0,0,0|3,0,0]=4 501 B16R1.7493 CC(NCC(C)(C)C)c1cc(ccc1Cl)I 269862a_100000743828_100010712560 [0,1,0,0,0,0|3,0,0]=4 502 B16R1.7493 CN(CCC(C)(C)C)c1cc(ccc1Cl)Br 269982a_100011772073_100000755188 [0,1,0,0,0,0|3,0,0]=4 503 B16R1.7493 CN(CCC(C)(C)C)c1cc(ccc1Cl)Br 34a_100011772073_100000755188 [0,1,0,0,0,0|3,0,0]=4 504 B16R1.7493 CN(CCC(C)(C)C)c1cc(ccc1Cl)Cl 269982a_100000742562_100000755188 [0,1,0,0,0,0|3,0,0]=4 505 B16R1.7493 CN(CCC(C)(C)C)c1cc(ccc1Cl)Cl 34a_100000742562_100000755188 [0,1,0,0,0,0|3,0,0]=4 506 B16R1.7493 Cc1ccc(c(c1)C(=O)CCC(C)(C)C)Cl 1458a_100011290873_100000755188 [0,1,0,0,0,0|1,0,2]=4 507 B16R1.7493 Cc1ccc(c(c1)C(=O)CNC(C)(C)C)C 2230a_100000715429_100000183774 [0,1,0,0,0,0|1,0,2]=4 508 B16R1.7493 Cc1ccc(c(c1)C(=O)NNC(C)(C)C)Cl 22a_100000725372_100011290873 [0,1,0,0,0,0|1,0,2]=4 509 B16R1.8808 CC(C)(C)C(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000210923 [0,1,0,0,0,0|1,0,2]=4 510 B16R1.8808 CC(C)(C)C(=O)CC(=O)c1ccccc1Cl 1458a_106744555173_100000211432 [0,1,0,0,0,0|1,0,2]=4 511 B16R1.8808 CC(C)(C)N([13CH3])CC(O)c1ccccc1Cl 2230a_100016988574_200025704644 [0,1,0,0,0,0|0,0,0]=1 512 B16R1.8808 CC(C)(C)N([13CH3])CC(O)c1ccccc1Cl 269982a_100016988574_200025704644 [0,1,0,0,0,0|0,0,0]=1 513 B16R1.8808 CC(NC(=O)C(C)(C)C)c1ccccc1Cl 11a_100000174978_106744555173 [0,1,0,0,0,0|3,0,0]=4 514 B16R1.8808 CC(NC(=O)C(C)(C)C)c1ccccc1Cl 1626a_100000174978_106744555173 [0,1,0,0,0,0|3,0,0]=4 515 B16R1.8808 CC(NC(=O)C(C)(C)C)c1ccccc1Cl 240690a_100000174978_106744555173 [0,1,0,0,0,0|3,0,0]=4 516 B16R1.8808 CC(NC(=O)C(C)(C)C)c1ccccc1Cl 527a_100000174978_106744555173 [0,1,0,0,0,0|3,0,0]=4 517 B16R1.8808 CC(N[C@H](C)C(C)(C)C)c1ccccc1Cl 2230a_100025703359_100000181259 [0,1,0,0,0,0|3,0,0]=4 518 B16R1.8808 CC(N[C@H](C)C(C)(C)C)c1ccccc1Cl 269862a_100025703359_100000210134 [0,1,0,0,0,0|3,0,0]=4 519 B16R1.8808 CN(CC(=O)C(C)(C)C)c1ccccc1Cl 269982a_100000219374_100000210923 [0,1,0,0,0,0|3,0,0]=4 520 B16R1.8808 CN(CC(=O)C(C)(C)C)c1ccccc1Cl 34a_100000219374_100000229897 [0,1,0,0,0,0|3,0,0]=4 521 B16R1.8808 CN(CC(=O)c1ccccc1Br)C(C)(C)C 269982a_100011215553_100000199116 [0,1,0,0,0,0|0,1,2]=4 522 B16R1.8808 CN(CC(=O)c1ccccc1Cl)C(C)(C)C 269982a_100011215553_100000211432 [0,1,0,0,0,0|0,0,2]=3 523 B16R1.8808 CN(CC(=O)c1ccccc1F)C(C)(C)C 269982a_100011215553_100000204681 [0,1,0,0,0,0|0,1,2]=4 524 B16R1.8808 CN(CC(=O)c1ccccc1O)C(C)(C)C 269982a_100011215553_100000188908 [0,1,0,0,0,0|1,0,2]=4 525 B16R1.8808 CN(CC(O)c1ccccc1Cl)C(C)(C)C 2230a_100016988574_200000210301 [0,1,0,0,0,0|0,0,0]=1 526 B16R1.8808 CN(CC(O)c1ccccc1Cl)C(C)(C)C 269982a_100016988574_200000210301 [0,1,0,0,0,0|0,0,0]=1 527 B16R1.8808 Cc1ccccc1C(=O)CN(C)C(C)(C)C 269982a_100011215553_100000741374 [0,1,0,0,0,0|1,0,2]=4 528 B16R1.10467 C#CC(C)(C)NCC(=O)c1ccccc1Cl 34a_100000054563_100000211432 [0,1,0,0,0,0|0,0,3]=4 529 B16R1.10467 C#CC(C)(C)NCC(O)c1ccccc1Cl 34a_200000759403_100000038118 [0,1,0,0,0,0|0,0,1]=2 530 B16R1.10467 C#CC(C)(C)OCC(N)c1ccccc1Cl 34a_100138412506_100000038118 [0,1,0,0,0,0|2,0,1]=4 531 B16R1.10467 CC(C)(C#N)NCC(O)c1ccccc1Cl 34a_200000759403_100011162410 [0,1,0,0,0,0|0,0,1]=2 532 B16R1.10467 CC(C)(C#N)OCC(N)c1ccccc1Cl 34a_100138412506_100011162410 [0,1,0,0,0,0|2,0,1]=4 533 B16R1.10467 CC(NCC(C)(C)CO)c1ccccc1Cl 2230a_100020635058_100000181259 [0,1,0,0,0,0|3,0,0]=4 534 B16R1.10467 CC(NCC(C)(C)CO)c1ccccc1Cl 269862a_100020635058_100000210134 [0,1,0,0,0,0|3,0,0]=4 535 B16R1.10467 CC(NCC(C)(C)CO)c1ccccc1Cl 34a_100000174978_100009813988 [0,1,0,0,0,0|3,0,0]=4 536 B16R1.10467 CC(OCC(C)(C)CCl)c1ccccc1Cl 7a_100011217199_100000181259 [0,1,0,0,0,0|3,0,0]=4 537 B16R1.10467 CC(OCC(C)(C)CO)c1ccccc1Cl 34a_100000740796_100009813988 [0,1,0,0,0,0|3,0,0]=4 538 B16R1.10467 CC(OCC(C)(C)CO)c1ccccc1Cl 7a_100000740796_100009813988 [0,1,0,0,0,0|3,0,0]=4 539 B16R1.10467 CC(SCC(C)(C)CO)c1ccccc1Cl 62a_100000181259_100009813988 [0,1,0,0,0,0|3,0,0]=4 540 B16R1.10467 CC(SCC(C)(C)CO)c1ccccc1Cl 62a_100009813988_100000181259 [0,1,0,0,0,0|3,0,0]=4 541 B16R1.10467 CCC(C)(C)COC(C)c1ccccc1Cl 7a_100000765029_100000181259 [0,1,0,0,0,0|3,0,0]=4 542 B16R1.10467 CCC(C)(C)NCC(=O)c1ccccc1C 2230a_100000211385_100000741374 [0,1,0,0,0,0|1,0,2]=4 543 B16R1.10467 CCC(C)(C)SCC(=O)c1ccccc1Cl 62a_100000032637_100000211432 [0,1,0,0,0,0|1,0,2]=4 544 B16R1.10467 CCC(C)(C)SCC(=O)c1ccccc1Cl 62a_100000211432_100000032637 [0,1,0,0,0,0|1,0,2]=4 545 B16R1.10467 CCS(=O)(=O)NCC(O)c1ccccc1Cl 270084a_200000759403_100000211323 [0,1,0,0,0,0|3,0,0]=4 546 B16R1.10467 CCS(=O)(=O)NCC(O)c1ccccc1Cl 274078a_200000759403_100000211323 [0,1,0,0,0,0|3,0,0]=4 547 B16R1.10467 CCS(=O)(=O)NCC(O)c1ccccc1Cl 40a_200000759403_100000053943 [0,1,0,0,0,0|3,0,0]=4 548 B16R1.10467 COC(C)(C)CNC(C)c1ccccc1Cl 2230a_100000763424_100000181259 [0,1,0,0,0,0|3,0,0]=4 549 B16R1.10467 COC(C)(C)CNC(C)c1ccccc1Cl 269862a_100000763424_100000210134 [0,1,0,0,0,0|3,0,0]=4 550 B16R1.10467 COC(C)(C)CNC(C)c1ccccc1Cl 34a_100000174978_100000701081 [0,1,0,0,0,0|3,0,0]=4 551 B16R1.10467 COC(C)(C)COC(C)c1ccccc1Cl 34a_100000740796_100000701081 [0,1,0,0,0,0|3,0,0]=4 552 B16R1.10467 COC(C)(C)CSC(C)c1ccccc1Cl 62a_100000181259_100000701081 [0,1,0,0,0,0|3,0,0]=4 553 B16R1.10467 COC(C)(C)CSC(C)c1ccccc1Cl 62a_100000701081_100000181259 [0,1,0,0,0,0|3,0,0]=4 554 B16R1.10467 CSC(C)(C)CNC(C)c1ccccc1Cl 270004a_100000174978_100009845794 [0,1,0,0,0,0|3,0,0]=4 555 B16R1.10467 Cc1ccccc1C(=O)CNC(C)(C)CO 2230a_100000210608_100000741374 [0,1,0,0,0,0|1,0,2]=4 556 B16R1.10467 O=S(=O)(CCl)NCC(O)c1ccccc1Cl 270084a_200000759403_100000031410 [0,1,0,0,0,0|3,0,0]=4 557 B16R1.10467 O=S(=O)(CCl)NCC(O)c1ccccc1Cl 274078a_200000759403_100000031410 [0,1,0,0,0,0|3,0,0]=4 558 B16R1.18701 COc1ccccc1C(N)COC(C)(C)C 34a_100000756845_100000210625 [0,1,0,0,0,0|3,0,0]=4 559 B16R1.44937 CC(=NNC(C)(C)C)c1c(cccc1Br)Cl 4a_100000725372_100012349480 [0,1,0,0,0,0|2,0,1]=4 560 B16R1.44937 CC(=NNC(C)(C)C)c1c(cccc1Cl)Cl 4a_100000725372_100011217482 [0,1,0,0,0,0|2,0,1]=4 561 B16R1.44937 CC(=NNC(C)(C)C)c1c(cccc1Cl)F 4a_100000725372_100000749166 [0,1,0,0,0,0|2,0,1]=4 562 B16R1.44937 CC(=NNC(C)(C)C)c1c(cccc1Cl)O 4a_100000725372_100000730630 [0,1,0,0,0,0|2,0,1]=4 563 B16R1.44937 CC(C)(C)CCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000755188 [0,1,0,0,0,0|1,0,2]=4 564 B16R1.44937 CC(C)(C)CCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000755188 [0,1,0,0,0,0|1,0,2]=4 565 B16R1.44937 CC(C)(C)CCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000755188 [0,1,0,0,0,0|1,0,2]=4 566 B16R1.44937 CC(C)(C)NCC(=O)c1c(cccc1Cl)Cl 2230a_100000715429_100012340516 [0,1,0,0,0,0|0,0,2]=3 567 B16R1.44937 CC(C)(C)NCC(=O)c1c(cccc1Cl)F 2230a_100000715429_100011219195 [0,1,0,0,0,0|0,0,2]=3 568 B16R1.44937 CC(C)(C)NNC(=O)c1c(cccc1Br)Cl 22a_100000725372_100011253703 [0,1,0,0,0,0|1,0,2]=4 569 B16R1.44937 CC(C)(C)NNC(=O)c1c(cccc1Cl)Cl 22a_100000725372_100000210656 [0,1,0,0,0,0|1,0,2]=4 570 B16R1.44937 CC(C)(C)NNC(=O)c1c(cccc1Cl)F 22a_100000725372_100000210369 [0,1,0,0,0,0|1,0,2]=4 571 B16R1.44937 CC(C)(C)NNC(=O)c1c(cccc1Cl)O 22a_100000725372_100000745519 [0,1,0,0,0,0|1,0,2]=4 572 B16R1.44937 CC(C)(C)NNC(=O)c1c(cccc1I)Cl 22a_100000725372_100000702859 [0,1,0,0,0,0|1,0,2]=4 573 B16R1.44937 CC(C)(C)OCC(=O)c1c(cccc1Cl)Cl 34a_100015890283_100012340516 [0,1,0,0,0,0|1,0,2]=4 574 B16R1.44937 CC(C)(C)OCC(=O)c1c(cccc1Cl)F 34a_100015890283_100011219195 [0,1,0,0,0,0|1,0,2]=4 575 B16R1.44937 CC(C)(C)SCC(=O)c1c(cccc1Cl)Cl 62a_100012340516_100000211941 [0,1,0,0,0,0|1,0,2]=4 576 B16R1.44937 CC(C)(C)SCC(=O)c1c(cccc1Cl)F 62a_100000211941_100011219195 [0,1,0,0,0,0|1,0,2]=4 577 B16R1.44937 CC(C)(C)SCC(=O)c1c(cccc1Cl)F 62a_100011219195_100000211941 [0,1,0,0,0,0|1,0,2]=4 578 B16R1.44937 CN(CCC(C)(C)C)c1c(cccc1Cl)Cl 269982a_100000691019_100000755188 [0,1,0,0,0,0|3,0,0]=4 579 B16R1.44937 CN(CCC(C)(C)C)c1c(cccc1Cl)Cl 34a_100000691019_100000755188 [0,1,0,0,0,0|3,0,0]=4 580 B16R1.44937 C[C@@H](NCC(C)(C)C)c1c(cccc1Cl)Cl 270004a_100016989663_100011204126 [0,1,0,0,0,0|3,0,0]=4 581 B16R1.44937 C[C@@H](NCC(C)(C)C)c1c(cccc1Cl)Cl 34a_100016989663_100011219605 [0,1,0,0,0,0|3,0,0]=4 582 B16R1.44937 C[C@@H](NCC(C)(C)C)c1c(cccc1Cl)F 270004a_100011997870_100011204126 [0,1,0,0,0,0|3,0,0]=4 583 B16R1.44937 C[C@@H](NCC(C)(C)C)c1c(cccc1Cl)F 34a_100011997870_100011219605 [0,1,0,0,0,0|3,0,0]=4 584 B16R1.44937 C[C@@H](OCC(C)(C)C)c1c(cccc1Cl)F 34a_200012136785_100011219605 [0,1,0,0,0,0|3,0,0]=4 585 B16R1.44937 Cc1cccc(c1C(=O)CCC(C)(C)C)Cl 1458a_100000692601_100000755188 [0,1,0,0,0,0|1,0,2]=4 586 B16R1.44937 Cc1cccc(c1C(=O)NNC(C)(C)C)Cl 22a_100000725372_100000692601 [0,1,0,0,0,0|1,0,2]=4 587 B16R1.45354 CC(C)(C)CNC(C)(C)c1ccccc1Cl 34a_100020606166_100011219605 [0,1,0,0,0,0|3,0,0]=4 588 B16R1.45354 CC(C)(C)COC(C)(C)c1ccccc1Cl 34a_100000690508_100011219605 [0,1,0,0,0,0|3,0,0]=4 589 B16R1.45354 CC(C)(C)NCC(C)(C)c1ccccc1F 34a_100000748766_100000210625 [0,1,0,0,0,0|1,1,0]=3 590 B16R1.67631 CC(C)(C)CNC(CO)c1ccccc1Cl 270004a_100138412506_100011204126 [0,1,0,0,0,0|2,0,0]=3 591 B16R1.67631 CC(C)(C)CNC(CO)c1ccccc1Cl 34a_100138412506_100011219605 [0,1,0,0,0,0|2,0,0]=3 592 B16R1.67631 CC(C)(C)CNC(CO)c1ccncc1Cl 270004a_200020642286_100011204126 [0,1,0,0,0,0|3,0,0]=4 593 B16R1.67631 CC(C)(C)CN[C@@H](CO)c1ccccc1F 270004a_100009818778_100011204126 [0,1,0,0,0,0|2,1,0]=4 594 B16R1.67631 CC(C)(C)CN[C@@H](CO)c1ccccc1F 34a_100009818778_100011219605 [0,1,0,0,0,0|2,1,0]=4 595 B16R1.67631 CC(C)(C)CN[C@H](CO)c1ccccc1Br 270004a_100161155918_100011204126 [0,1,0,0,0,0|2,1,0]=4 596 B16R1.67631 CC(C)(C)CN[C@H](CO)c1ccccc1Br 34a_100161155918_100011219605 [0,1,0,0,0,0|2,1,0]=4 597 B16R1.67631 CC(C)(C)COC(CN)c1ccccc1Cl 34a_200000759403_100011219605 [0,1,0,0,0,0|3,0,0]=4 598 B16R1.67631 CC(C)(C)NCC(O[13CH3])c1ccccc1Cl 34a_100016988574_200025704644 [0,1,0,0,0,0|0,0,0]=1 599 B16R1.67631 CC(C)(C)NCC(O[13CH3])c1ccccc1Cl 7a_100016988574_200025704644 [0,1,0,0,0,0|0,0,0]=1 600 B16R1.67631 CC(C)(F)CNC(CO)c1ccccc1Cl 34a_100138412506_100011997219 [0,1,0,0,0,0|3,0,0]=4 601 B16R1.67631 CC(C)(O)CNC(CO)c1ccccc1Cl 34a_100138412506_100000764493 [0,1,0,0,0,0|3,0,0]=4 602 B16R1.67631 CCC(=NNC(C)(C)C)c1ccccc1Cl 4a_100000725372_100011400563 [0,1,0,0,0,0|2,0,1]=4 603 B16R1.67631 CCC(NCC(C)(C)C)c1ccccc1Cl 269862a_100000743828_100011400563 [0,1,0,0,0,0|3,0,0]=4 604 B16R1.67631 CC[C@H](NCC(C)(C)C)c1ccccc1Cl 270004a_200016987949_100011204126 [0,1,0,0,0,0|3,0,0]=4 605 B16R1.67631 CC[C@H](NCC(C)(C)C)c1ccccc1Cl 34a_200016987949_100011219605 [0,1,0,0,0,0|3,0,0]=4 606 B16R1.67631 COC(CNC(C)(C)C)c1ccccc1Cl 34a_100016988574_200000210301 [0,1,0,0,0,0|0,0,0]=1 607 B16R1.67631 COC(CNC(C)(C)C)c1ccccc1Cl 7a_100016988574_200000210301 [0,1,0,0,0,0|0,0,0]=1 608 B16R1.67631 C[Si](C)(C)CNC(CO)c1ccccc1Cl 2230a_100138412506_100000037933 [0,1,0,0,0,0|2,1,0]=4 609 B16R2.2947 CC(C)(C)NCC1CCc2c1cccc2 34a_100020632452_100000210625 [0,0,0,1,0,0|2,0,0]=3 610 B16R2.2947 CC(C)(C)NCc1coc2c1cccc2 207a_100000715429_100000688544 [0,0,0,1,0,0|2,0,1]=4 611 B16R2.2947 CC(C)(C)NCc1csc2c1cccc2 207a_100000715429_100000239721 [0,0,0,1,0,0|2,0,1]=4 612 B16R2.2947 CC(C)(C)NCc1csc2c1cccc2 2230a_100000715429_200000742921 [0,0,0,1,0,0|2,0,1]=4 613 B16R2.2947 CC(C)(C)NCc1csc2c1cccc2 34a_100000744611_100000210625 [0,0,0,1,0,0|2,0,1]=4 614 B16R2.2947 CC(C)(C)NCc1n[nH]c2c1cccc2 207a_100000715429_100000059708 [0,0,0,1,0,0|2,0,1]=4 615 B16R2.2947 CC(C)(C)NCn1nnc2c1cccc2 2230a_100000715429_100000033166 [0,0,0,1,0,0|3,0,0]=4 616 B16R2.3264 CC1(CC=C(CC1)c2ccccc2Cl)C 271570a_100000069032_100000764095 [0,0,0,1,0,0|2,0,1]=4 617 B16R2.3358 CC(C)(C)NC1Cc2ccccc2C1O 2230a_100000715429_100000211646 [0,0,0,1,0,0|1,0,0]=2 618 B16R2.3358 CC(C)(C)OC1Cc2ccccc2C1O 34a_100015890283_100000211646 [0,0,0,1,0,0|2,0,0]=3 619 B16R2.3358 CC(C)(C)SC1Cc2ccccc2C1O 62a_100000211646_100000211941 [0,0,0,1,0,0|2,0,0]=3 620 B16R2.3358 CC(C)(C)SC1Cc2ccccc2C1O 62a_100000211941_100000211646 [0,0,0,1,0,0|2,0,0]=3 621 B16R2.12488 CC(NCC1(CC1)C)c2ccccc2Cl 2230a_100000766693_100000181259 [0,0,0,1,0,0|3,0,0]=4 622 B16R2.12488 CC(NCC1(CC1)C)c2ccccc2Cl 269862a_100000766693_100000210134 [0,0,0,1,0,0|3,0,0]=4 623 B16R2.12488 CC(OCC1(CC1)C)c2ccccc2Cl 7a_100000698024_100000181259 [0,0,0,1,0,0|3,0,0]=4 624 B16R2.12488 Cc1ccccc1C(=O)CNC2(CC2)C 2230a_100000757604_100000741374 [0,0,0,1,0,0|1,0,2]=4 625 B16R2.14655 CC(C)(C)NC1CC1c2ccccc2F 34a_100000753450_100000210625 [0,0,0,1,0,0|1,1,0]=3 626 B16R2.24934 CC1CN(Cc2c1cccc2)C(C)(C)C 269982a_100015190047_100000210625 [0,0,0,1,0,0|2,0,0]=3 627 B16R2.24934 CC1CN(Cc2c1cccc2)C(C)(C)C 34a_100015190047_100000210625 [0,0,0,1,0,0|2,0,0]=3 628 B16R2.83939 CC(c1ccccc1Cl)N2CC(C2)(C)C 2230a_100000753659_100000181259 [0,0,0,1,0,0|3,0,0]=4 629 B16R2.83939 CC(c1ccccc1Cl)N2CC(C2)(C)C 269982a_100000753659_100000181259 [0,0,0,1,0,0|3,0,0]=4 630 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1Br 11a_100000715429_100000188424 [0,0,0,0,1,0|0,1,2]=4 631 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1Br 1626a_100000715429_100000188424 [0,0,0,0,1,0|0,1,2]=4 632 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1Br 240690a_100000715429_100000188424 [0,0,0,0,1,0|0,1,2]=4 633 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1Br 527a_100000715429_100000188424 [0,0,0,0,1,0|0,1,2]=4 634 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1Cl 11a_100000715429_100000185844 [0,0,0,0,1,0|0,0,2]=3 635 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1Cl 1626a_100000715429_100000185844 [0,0,0,0,1,0|0,0,2]=3 636 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1Cl 240690a_100000715429_100000185844 [0,0,0,0,1,0|0,0,2]=3 637 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1Cl 527a_100000715429_100000185844 [0,0,0,0,1,0|0,0,2]=3 638 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1F 11a_100000715429_100000188656 [0,0,0,0,1,0|0,1,2]=4 639 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1F 1626a_100000715429_100000188656 [0,0,0,0,1,0|0,1,2]=4 640 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1F 240690a_100000715429_100000188656 [0,0,0,0,1,0|0,1,2]=4 641 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1F 527a_100000715429_100000188656 [0,0,0,0,1,0|0,1,2]=4 642 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1I 11a_100000715429_100000187884 [0,0,0,0,1,0|0,1,2]=4 643 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1I 1626a_100000715429_100000187884 [0,0,0,0,1,0|0,1,2]=4 644 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1I 240690a_100000715429_100000187884 [0,0,0,0,1,0|0,1,2]=4 645 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1I 527a_100000715429_100000187884 [0,0,0,0,1,0|0,1,2]=4 646 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1O 240690a_100000715429_100015234032 [0,0,0,0,1,0|1,0,2]=4 647 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1O 271570a_203496583355_200000154197 [0,0,0,0,1,0|1,0,2]=4 648 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1[O-] 1626a_100000715429_100009911694 [0,0,0,0,1,0|1,0,2]=4 649 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1[O-] 240690a_100000715429_100009911694 [0,0,0,0,1,0|1,0,2]=4 650 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1[O-] 527a_100000715429_100009911694 [0,0,0,0,1,0|1,0,2]=4 651 B14R1.4451 CC(NC(C)(C)C)c1ccccc1Cl 2230a_100000715429_100000181259 [0,0,0,0,1,0|1,0,0]=2 652 B14R1.4451 CC(NC(C)(C)C)c1ccccc1Cl 34a_100000174978_100000210625 [0,0,0,0,1,0|1,0,0]=2 653 B14R1.4451 CC(NC(C)(C)C)c1ccccc1F 2230a_100000715429_200000741388 [0,0,0,0,1,0|1,1,0]=3 654 B14R1.4451 CC(NC(C)(C)C)c1ccccc1F 34a_100000181408_100000210625 [0,0,0,0,1,0|1,1,0]=3 655 B14R1.4451 CC(OC(C)(C)C)c1ccccc1Br 34a_100000702211_100000210625 [0,0,0,0,1,0|2,1,0]=4 656 B14R1.4451 CC(OC(C)(C)C)c1ccccc1Cl 34a_100000740796_100000210625 [0,0,0,0,1,0|2,0,0]=3 657 B14R1.4451 CC(OC(C)(C)C)c1ccccc1Cl 7a_100015890283_100000181259 [0,0,0,0,1,0|2,0,0]=3 658 B14R1.4451 CC(OC(C)(C)C)c1ccccc1F 34a_100000697922_100000210625 [0,0,0,0,1,0|2,1,0]=4 659 B14R1.4451 CC(OC(C)(C)C)c1ccccc1F 34a_100015890283_200000741388 [0,0,0,0,1,0|2,1,0]=4 660 B14R1.4451 CC(OC(C)(C)C)c1ccccc1F 7a_100015890283_200000741388 [0,0,0,0,1,0|2,1,0]=4 661 B14R1.4451 CC(OC(C)(C)C)c1cccnc1Cl 34a_100009865335_100000210625 [0,0,0,0,1,0|3,0,0]=4 662 B14R1.4451 CC(SC(C)(C)C)c1ccccc1Cl 62a_100000181259_100000211941 [0,0,0,0,1,0|2,0,0]=3 663 B14R1.4451 CC(SC(C)(C)C)c1ccccc1Cl 62a_100000211941_100000181259 [0,0,0,0,1,0|2,0,0]=3 664 B14R1.4451 CC(SC(C)(C)C)c1ccccc1F 62a_100000211941_200000741388 [0,0,0,0,1,0|2,1,0]=4 665 B14R1.4451 CC(SC(C)(C)C)c1ccccc1F 62a_200000741388_100000211941 [0,0,0,0,1,0|2,1,0]=4 666 B14R1.4451 CN(CC(C)(C)C)c1ccccc1Br 34a_100020606079_100011219605 [0,0,0,0,1,0|2,1,0]=4 667 B14R1.4451 CN(CC(C)(C)C)c1ccccc1Cl 34a_100000219374_100011219605 [0,0,0,0,1,0|2,0,0]=3 668 B14R1.4451 CN(CC(C)(C)C)c1ccccc1F 34a_100000220357_100011219605 [0,0,0,0,1,0|2,1,0]=4 669 B14R1.4451 CN(CC(C)(C)F)c1ccccc1Cl 34a_100000219374_100011997219 [0,0,0,0,1,0|3,0,0]=4 670 B14R1.4451 CN(CC(C)(C)O)c1ccccc1Cl 34a_100000219374_100000764493 [0,0,0,0,1,0|3,0,0]=4 671 B14R1.4451 CN(C[N+](C)(C)C)c1ccccc1Cl 269982a_100000219374_200000036245 [0,0,0,0,1,0|3,0,0]=4 672 B14R1.4451 CN(C[Si](C)(C)C)c1ccccc1Cl 2230a_100000219374_100000037933 [0,0,0,0,1,0|2,1,0]=4 673 B14R1.4451 C[Si](C)(C)CC(=O)c1ccccc1Cl 1458a_100000185844_100000233785 [0,0,0,0,1,0|0,1,2]=4 674 B14R1.4451 Cc1ccccc1C(=O)NC(C)(C)C 11a_100000715429_100000212026 [0,0,0,0,1,0|1,0,2]=4 675 B14R1.4451 Cc1ccccc1C(=O)NC(C)(C)C 1626a_100000715429_100000212026 [0,0,0,0,1,0|1,0,2]=4 676 B14R1.4451 Cc1ccccc1C(=O)NC(C)(C)C 240690a_100000715429_100000212026 [0,0,0,0,1,0|1,0,2]=4 677 B14R1.4451 Cc1ccccc1C(=O)NC(C)(C)C 527a_100000715429_100000212026 [0,0,0,0,1,0|1,0,2]=4 678 B14R1.4451 Cc1ccccc1C(C)NC(C)(C)C 34a_100000181355_100000210625 [0,0,0,0,1,0|2,0,0]=3 679 B14R1.4451 Cc1ccccc1C(C)OC(C)(C)C 34a_100000742021_100000210625 [0,0,0,0,1,0|3,0,0]=4 680 B14R1.4451 Cc1ccccc1N(C)CC(C)(C)C 34a_100000219699_100011219605 [0,0,0,0,1,0|3,0,0]=4 681 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1Cl 11a_100000738805_100000185844 [0,0,0,0,0,1|1,0,2]=4 682 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1Cl 1626a_100000738805_100000185844 [0,0,0,0,0,1|1,0,2]=4 683 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1Cl 240690a_100000738805_100000185844 [0,0,0,0,0,1|1,0,2]=4 684 B16R1.7397 CC(C)(C)CCNC(=O)c1ccccc1Cl 527a_100000738805_100000185844 [0,0,0,0,0,1|1,0,2]=4 685 B16R1.7397 CC(C)(C)CNCC(O)c1ccccc1Br 270004a_100011236429_100011204126 [0,0,0,0,0,1|0,1,0]=2 686 B16R1.7397 CC(C)(C)CNCC(O)c1ccccc1Cl 270004a_200000759403_100011204126 [0,0,0,0,0,1|0,0,0]=1 687 B16R1.7397 CC(C)(C)CNCC(O)c1ccccc1Cl 34a_200000759403_100011219605 [0,0,0,0,0,1|0,0,0]=1 688 B16R1.7397 CC(C)(C)COCC(N)c1ccccc1Cl 34a_100138412506_100011219605 [0,0,0,0,0,1|2,0,0]=3 689 B16R1.7397 CC(C)(C)COCC(N)c1ccncc1Cl 34a_200020642286_100011219605 [0,0,0,0,0,1|3,0,0]=4 690 B16R1.7397 CC(C)(C)COC[C@@H](N)c1ccccc1Br 34a_100161155918_100011219605 [0,0,0,0,0,1|2,1,0]=4 691 B16R1.7397 CC(C)(C)COC[C@H](N)c1ccccc1F 34a_100009818778_100011219605 [0,0,0,0,0,1|2,1,0]=4 692 B16R1.7397 CC(C)(C)CSCC(=O)c1ccccc1Cl 62a_100000211432_100011219605 [0,0,0,0,0,1|1,0,2]=4 693 B16R1.7397 CC(C)(C)CSCC(=O)c1ccccc1Cl 62a_100011219605_100000211432 [0,0,0,0,0,1|1,0,2]=4 694 B16R1.7397 CC(C)(C)NCCC(=O)c1ccccc1F 2230a_100000715429_100000086012 [0,0,0,0,0,1|0,1,2]=4 695 B16R1.7397 CC(C)(C)OCCC(N)c1ccccc1Cl 34a_100011661560_100000210625 [0,0,0,0,0,1|2,0,0]=3 696 B16R1.7397 CC(C)(C)OCCC(N)c1ccccc1F 34a_100011661569_100000210625 [0,0,0,0,0,1|2,1,0]=4 697 B16R1.7397 CC(C)(F)CNCC(O)c1ccccc1Cl 34a_200000759403_100011997219 [0,0,0,0,0,1|1,0,0]=2 698 B16R1.7397 CC(C)(F)COCC(N)c1ccccc1Cl 34a_100138412506_100011997219 [0,0,0,0,0,1|3,0,0]=4 699 B16R1.7397 CC(C)(O)CNCC(O)c1ccccc1Cl 34a_200000759403_100000764493 [0,0,0,0,0,1|1,0,0]=2 700 B16R1.7397 CC(C)(O)COCC(N)c1ccccc1Cl 34a_100138412506_100000764493 [0,0,0,0,0,1|3,0,0]=4 701 B16R1.7397 CC(NCCC(C)(C)C)c1ccccc1Br 2230a_100000181357_100000755188 [0,0,0,0,0,1|2,1,0]=4 702 B16R1.7397 CC(NCCC(C)(C)C)c1ccccc1Br 269862a_100000738805_100000187085 [0,0,0,0,0,1|2,1,0]=4 703 B16R1.7397 CC(NCCC(C)(C)C)c1ccccc1Cl 2230a_100000174978_100000755188 [0,0,0,0,0,1|2,0,0]=3 704 B16R1.7397 CC(NCCC(C)(C)C)c1ccccc1Cl 2230a_100000738805_100000181259 [0,0,0,0,0,1|2,0,0]=3 705 B16R1.7397 CC(NCCC(C)(C)C)c1ccccc1Cl 269862a_100000738805_100000210134 [0,0,0,0,0,1|2,0,0]=3 706 B16R1.7397 CC(NCCC(C)(C)C)c1ccccc1Cl 34a_100000174978_100000755188 [0,0,0,0,0,1|2,0,0]=3 707 B16R1.7397 CC(NCCC(C)(C)C)c1ccccc1F 2230a_100000181408_100000755188 [0,0,0,0,0,1|2,1,0]=4 708 B16R1.7397 CC(NCCC(C)(C)C)c1ccccc1F 2230a_100000738805_200000741388 [0,0,0,0,0,1|2,1,0]=4 709 B16R1.7397 CC(NCCC(C)(C)C)c1ccccc1F 269862a_100000738805_100000210632 [0,0,0,0,0,1|2,1,0]=4 710 B16R1.7397 CC(NCCC(C)(C)C)c1ccccc1F 34a_100000181408_100000755188 [0,0,0,0,0,1|2,1,0]=4 711 B16R1.7397 CC(NCCC(C)(C)C)c1ccccc1I 269862a_100000738805_100000751169 [0,0,0,0,0,1|2,1,0]=4 712 B16R1.7397 CC(NCCC(C)(C)C)c1ccncc1Cl 269862a_100000738805_100012001414 [0,0,0,0,0,1|3,0,0]=4 713 B16R1.7397 CC(NCCC(C)(C)C)c1cnccc1Cl 269862a_100000738805_100160469449 [0,0,0,0,0,1|3,0,0]=4 714 B16R1.7397 CC(NCCC(C)(C)C)c1ncccc1Cl 269862a_100000738805_100015267551 [0,0,0,0,0,1|3,0,0]=4 715 B16R1.7397 CC(NCCC(C)(C)F)c1ccccc1Cl 2230a_100016253952_100000181259 [0,0,0,0,0,1|3,0,0]=4 716 B16R1.7397 CC(NCCC(C)(C)F)c1ccccc1Cl 269862a_100016253952_100000210134 [0,0,0,0,0,1|3,0,0]=4 717 B16R1.7397 CC(NCCC(C)(C)O)c1ccccc1Cl 2230a_100000174978_100000702414 [0,0,0,0,0,1|3,0,0]=4 718 B16R1.7397 CC(NCCC(C)(C)O)c1ccccc1Cl 269862a_100000707701_100000210134 [0,0,0,0,0,1|3,0,0]=4 719 B16R1.7397 CC(NCCC(C)(C)O)c1ccccc1Cl 34a_100000174978_100000702414 [0,0,0,0,0,1|3,0,0]=4 720 B16R1.7397 CC(NCC[N+](C)(C)C)c1ccccc1Cl 269862a_100000106457_100000210134 [0,0,0,0,0,1|3,0,0]=4 721 B16R1.7397 CC(NCC[N+](C)(C)C)c1ccccc1Cl 34a_100000174978_100000085578 [0,0,0,0,0,1|3,0,0]=4 722 B16R1.7397 CC(NCC[Si](C)(C)C)c1ccccc1Cl 2230a_100000174978_200000733723 [0,0,0,0,0,1|2,1,0]=4 723 B16R1.7397 CC(NCC[Si](C)(C)C)c1ccccc1Cl 34a_100000174978_200000733723 [0,0,0,0,0,1|2,1,0]=4 724 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1Br 34a_100000702211_100000755188 [0,0,0,0,0,1|2,1,0]=4 725 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1Br 7a_100000702211_100000755188 [0,0,0,0,0,1|2,1,0]=4 726 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1Cl 34a_100000740796_100000755188 [0,0,0,0,0,1|2,0,0]=3 727 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1Cl 7a_100000740796_100000755188 [0,0,0,0,0,1|2,0,0]=3 728 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1Cl 7a_100000765024_100000181259 [0,0,0,0,0,1|2,0,0]=3 729 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1F 34a_100000697922_100000755188 [0,0,0,0,0,1|2,1,0]=4 730 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1F 7a_100000697922_100000755188 [0,0,0,0,0,1|2,1,0]=4 731 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1F 7a_100000765024_200000741388 [0,0,0,0,0,1|2,1,0]=4 732 B16R1.7397 CC(OCCC(C)(C)C)c1ccccc1N 7a_100011405641_100000755188 [0,0,0,0,0,1|3,0,0]=4 733 B16R1.7397 CC(OCCC(C)(C)C)c1cccnc1Cl 34a_100009865335_100000755188 [0,0,0,0,0,1|3,0,0]=4 734 B16R1.7397 CC(OCCC(C)(C)C)c1cccnc1Cl 7a_100009865335_100000755188 [0,0,0,0,0,1|3,0,0]=4 735 B16R1.7397 CC(OCCC(C)(C)O)c1ccccc1Cl 34a_100000740796_100000702414 [0,0,0,0,0,1|3,0,0]=4 736 B16R1.7397 CC(OCCC(C)(C)O)c1ccccc1Cl 7a_100000740796_100000702414 [0,0,0,0,0,1|3,0,0]=4 737 B16R1.7397 CC(OCC[N+](C)(C)C)c1ccccc1Cl 34a_100000740796_100000085578 [0,0,0,0,0,1|3,0,0]=4 738 B16R1.7397 CC(OCC[N+](C)(C)C)c1ccccc1Cl 7a_100000740796_100000085578 [0,0,0,0,0,1|3,0,0]=4 739 B16R1.7397 CC(OCC[N+](C)(C)C)c1ccccc1Cl 7a_200020618287_100000181259 [0,0,0,0,0,1|3,0,0]=4 740 B16R1.7397 CC(OCC[Si](C)(C)C)c1ccccc1Cl 34a_100000740796_200000733723 [0,0,0,0,0,1|2,1,0]=4 741 B16R1.7397 CC(OCC[Si](C)(C)C)c1ccccc1Cl 7a_100000039746_100000181259 [0,0,0,0,0,1|2,1,0]=4 742 B16R1.7397 CC(OCC[Si](C)(C)C)c1ccccc1Cl 7a_100000740796_200000733723 [0,0,0,0,0,1|2,1,0]=4 743 B16R1.7397 CC(SCCC(C)(C)O)c1ccccc1Cl 62a_100000181259_100000702414 [0,0,0,0,0,1|3,0,0]=4 744 B16R1.7397 CC(SCCC(C)(C)O)c1ccccc1Cl 62a_100000702414_100000181259 [0,0,0,0,0,1|3,0,0]=4 745 B16R1.7397 CC(SCC[N+](C)(C)C)c1ccccc1Cl 62a_100000085578_100000181259 [0,0,0,0,0,1|3,0,0]=4 746 B16R1.7397 CC(SCC[N+](C)(C)C)c1ccccc1Cl 62a_100000181259_100000085578 [0,0,0,0,0,1|3,0,0]=4 747 B16R1.7397 C[C@@H](NCCC(C)(C)C)c1ccccc1O 2230a_100025703389_100000755188 [0,0,0,0,0,1|3,0,0]=4 748 B16R1.7397 C[Si](C)(C)CNCC(O)c1ccccc1Br 2230a_100011236429_100000037933 [0,0,0,0,0,1|0,2,0]=3 749 B16R1.7397 C[Si](C)(C)CNCC(O)c1ccccc1Cl 2230a_200000759403_100000037933 [0,0,0,0,0,1|0,1,0]=2 750 B16R1.7397 Cc1ccccc1C(=O)CNCC(C)(C)C 2230a_100000743828_100000741374 [0,0,0,0,0,1|1,0,2]=4 751 B16R1.7397 Cc1ccccc1C(C)NCCC(C)(C)C 2230a_100000181355_100000755188 [0,0,0,0,0,1|3,0,0]=4 752 B16R1.7397 Cc1ccccc1C(C)NCCC(C)(C)C 269862a_100000738805_100000211656 [0,0,0,0,0,1|3,0,0]=4 753 B16R1.7397 Cc1ccccc1C(C)NCCC(C)(C)C 34a_100000181355_100000755188 [0,0,0,0,0,1|3,0,0]=4 754 B16R1.7397 Cc1ccccc1C(C)OCCC(C)(C)C 34a_100000742021_100000755188 [0,0,0,0,0,1|3,0,0]=4 755 B16R1.7397 Cc1ccccc1C(C)OCCC(C)(C)C 7a_100000742021_100000755188 [0,0,0,0,0,1|3,0,0]=4 756 B16R1.7397 OC(CNCC(F)(F)F)c1ccccc1Cl 2230a_200000759403_100000763148 [0,0,0,0,0,1|3,0,0]=4 757 B16R1.7424 CC(=NNC(C)(C)C)Cc1ccccc1Cl 4a_100000725372_100000758791 [0,0,0,0,0,1|2,0,1]=4 758 B16R1.7424 CC(C)(C)CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000755188 [0,0,0,0,0,1|1,0,2]=4 759 B16R1.7424 CC(C)(C)CCC(=O)Cc1ccccc1Cl 1458a_100000757465_100000187162 [0,0,0,0,0,1|1,0,2]=4 760 B16R1.7424 CC(C)(C)CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000757465 [0,0,0,0,0,1|1,0,2]=4 761 B16R1.7424 CC(C)(C)CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000757465 [0,0,0,0,0,1|1,0,2]=4 762 B16R1.7424 CC(C)(C)CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000757465 [0,0,0,0,0,1|1,0,2]=4 763 B16R1.7424 CC(C)(C)CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000757465 [0,0,0,0,0,1|1,0,2]=4 764 B16R1.7424 CC(C)(C)NCC(=O)Cc1ccccc1Br 2230a_100000715429_100000700504 [0,0,0,0,0,1|0,1,2]=4 765 B16R1.7424 CC(C)(C)NCC(=O)Nc1ccccc1Br 2230a_100000715429_100000182372 [0,0,0,0,0,1|0,1,2]=4 766 B16R1.7424 CC(C)(C)NCC(=O)Nc1ccccc1Cl 2230a_100000715429_100000182448 [0,0,0,0,0,1|0,0,2]=3 767 B16R1.7424 CC(C)(C)NCC(=O)Nc1ccccc1F 2230a_100000715429_100000182988 [0,0,0,0,0,1|0,1,2]=4 768 B16R1.7424 CC(C)(C)NCC(=O)Nc1ccccc1I 2230a_100000715429_100000180142 [0,0,0,0,0,1|0,1,2]=4 769 B16R1.7424 CC(C)(C)NNC(=O)Cc1ccccc1Cl 22a_100000725372_100000183793 [0,0,0,0,0,1|1,0,2]=4 770 B16R1.7424 CC(C)(C)OCC(=O)Cc1ccccc1Cl 1458a_100000686494_100000187162 [0,0,0,0,0,1|1,0,2]=4 771 B16R1.7424 CC(C)(C)OCC(=O)Nc1ccccc1Cl 11a_100000185783_100000686494 [0,0,0,0,0,1|1,0,2]=4 772 B16R1.7424 CC(C)(C)OCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000686494 [0,0,0,0,0,1|1,0,2]=4 773 B16R1.7424 CC(C)(C)OCC(=O)Nc1ccccc1Cl 22a_100000185783_100000686494 [0,0,0,0,0,1|1,0,2]=4 774 B16R1.7424 CC(C)(C)OCC(=O)Nc1ccccc1Cl 34a_100015890283_100000182448 [0,0,0,0,0,1|1,0,2]=4 775 B16R1.7424 CC(C)(C)OCC(=O)Nc1ccccc1Cl 527a_100000185783_100000686494 [0,0,0,0,0,1|1,0,2]=4 776 B16R1.7424 CC(C)(C)OCC(=O)Nc1ccccc1Cl 7a_100015890283_100000182448 [0,0,0,0,0,1|1,0,2]=4 777 B16R1.7424 CC(C)(C)OCC(N)Cc1ccccc1Cl 34a_100012001541_100000210625 [0,0,0,0,0,1|2,0,0]=3 778 B16R1.7424 CC(C)(C)SCC(=O)Nc1ccccc1Cl 62a_100000211941_100000182448 [0,0,0,0,0,1|1,0,2]=4 779 B16R1.7424 CC(C)(C)SCC(=O)Nc1ccccc1Cl 62a_200011202291_100000211941 [0,0,0,0,0,1|1,0,2]=4 780 B16R1.7424 CC(CNC(C)(C)C)Oc1ccccc1Cl 34a_100000763343_100000210625 [0,0,0,0,0,1|1,0,0]=2 781 B16R1.7424 CC(Cc1ccccc1Cl)NCC(C)(C)C 270004a_100000743828_100000758791 [0,0,0,0,0,1|3,0,0]=4 782 B16R1.7424 CN(CCC(C)(C)C)Cc1ccccc1Cl 2230a_100000184507_100000755188 [0,0,0,0,0,1|3,0,0]=4 783 B16R1.7424 CN(CCC(C)(C)C)Cc1ccccc1Cl 269982a_100000184507_100000755188 [0,0,0,0,0,1|3,0,0]=4 784 B16R1.7424 Cc1ccccc1CC(=O)CNC(C)(C)C 2230a_100000715429_100011223134 [0,0,0,0,0,1|1,0,2]=4 785 B16R1.7424 Cc1ccccc1NC(=O)CNC(C)(C)C 2230a_100000715429_100000183529 [0,0,0,0,0,1|1,0,2]=4 786 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [2,0,0,0,0,0|1,0,1]=4 787 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [2,0,0,0,0,0|1,0,1]=4 788 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100000701038_100000210206 [2,0,0,0,0,0|1,0,0]=3 789 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100138425928_100000756946 [2,0,0,0,0,0|1,0,0]=3 790 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100000701038_100000210206 [2,0,0,0,0,0|1,0,0]=3 791 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100138425928_100000756946 [2,0,0,0,0,0|1,0,0]=3 792 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100000210709_100000210206 [2,0,0,0,0,0|0,0,0]=2 793 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100138425928_100000185958 [2,0,0,0,0,0|0,0,0]=2 794 B13R1.45 CC(C)NCC(O)c1ccccc1 34a_100138425928_100000185958 [2,0,0,0,0,0|0,0,0]=2 795 B13R1.45 CC(C)NCC(O)c1ccccn1 2230a_100000691469_100000210206 [2,0,0,0,0,0|1,0,0]=3 796 B13R1.45 CC(C)NCC(O)c1cccnc1 2230a_100020605170_100000210206 [2,0,0,0,0,0|1,0,0]=3 797 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 2230a_100138425928_100011933945 [2,0,0,0,0,0|0,0,0]=2 798 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 34a_100138425928_100011933945 [2,0,0,0,0,0|0,0,0]=2 799 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100000212225_100000756946 [2,0,0,0,0,0|2,0,0]=4 800 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100011215166_100000210206 [2,0,0,0,0,0|2,0,0]=4 801 B13R1.45 CC(C)OCC(C)c1ccccc1 7a_100011215166_100000210206 [2,0,0,0,0,0|2,0,0]=4 802 B13R1.45 CC(C)OCC(O)c1ccccc1 34a_100000212225_100000185958 [2,0,0,0,0,0|1,0,0]=3 803 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210206 [2,0,0,0,0,0|2,0,0]=4 804 B13R1.45 CC(C)OC[C@@H](O)c1ccccc1 34a_100000212225_100011933945 [2,0,0,0,0,0|1,0,0]=3 805 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000210206_100000756946 [2,0,0,0,0,0|2,0,0]=4 806 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000756946_100000210206 [2,0,0,0,0,0|2,0,0]=4 807 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000185958_100000210206 [2,0,0,0,0,0|1,0,0]=3 808 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000210206_100000185958 [2,0,0,0,0,0|1,0,0]=3 809 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100000210206_100011933945 [2,0,0,0,0,0|1,0,0]=3 810 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000210206 [2,0,0,0,0,0|1,0,0]=3 811 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [2,0,0,0,0,0|2,0,0]=4 812 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [2,0,0,0,0,0|2,0,0]=4 813 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [2,0,0,0,0,0|2,0,0]=4 814 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [2,0,0,0,0,0|2,0,0]=4 815 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [2,0,0,0,0,0|2,0,0]=4 816 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [2,0,0,0,0,0|2,0,0]=4 817 B13R1.158 CC(=O)NCCc1ccccc1Cl 11a_100011207228_100015343762 [2,0,0,0,0,0|1,0,1]=4 818 B13R1.158 CC(=O)NCCc1ccccc1Cl 1626a_100011207228_100015343762 [2,0,0,0,0,0|1,0,1]=4 819 B13R1.158 CC(=O)NCCc1ccccc1Cl 240690a_100011207228_100015343762 [2,0,0,0,0,0|1,0,1]=4 820 B13R1.158 CC(=O)NCCc1ccccc1Cl 527a_100011207228_100103153847 [2,0,0,0,0,0|1,0,1]=4 821 B13R1.158 CC(C)CCNc1ccccc1Cl 34a_100000185783_100000210312 [2,0,0,0,0,0|2,0,0]=4 822 B13R1.158 CC(C)CCOc1ccccc1Cl 34a_100000210172_100000210312 [2,0,0,0,0,0|2,0,0]=4 823 B13R1.158 CC(C)CCOc1ccccc1Cl 7a_100000210172_100000210626 [2,0,0,0,0,0|2,0,0]=4 824 B13R1.158 CC(C)CCSc1ccccc1Cl 62a_100000210312_100000764095 [2,0,0,0,0,0|2,0,0]=4 825 B13R1.158 CC(C)CCSc1ccccc1Cl 62a_100000764095_100000210312 [2,0,0,0,0,0|2,0,0]=4 826 B13R1.158 CC(C)CNCc1ccccc1Cl 207a_100000210953_100000210073 [2,0,0,0,0,0|2,0,0]=4 827 B13R1.158 CC(C)CNCc1ccccc1Cl 2230a_100000174879_100000210760 [2,0,0,0,0,0|2,0,0]=4 828 B13R1.158 CC(C)CNCc1ccccc1Cl 2230a_100000210953_100000187162 [2,0,0,0,0,0|2,0,0]=4 829 B13R1.158 CC(C)CNCc1ccccc1Cl 26a_100000210953_100000210172 [2,0,0,0,0,0|2,0,0]=4 830 B13R1.158 CC(C)CNCc1ccccc1Cl 270004a_100000174879_100000210432 [2,0,0,0,0,0|2,0,0]=4 831 B13R1.158 CC(C)CNCc1ccccc1Cl 270004a_100000210953_100000210073 [2,0,0,0,0,0|2,0,0]=4 832 B13R1.158 CC(C)CNCc1ccccc1Cl 34a_100000174879_100000210624 [2,0,0,0,0,0|2,0,0]=4 833 B13R1.158 CC(C)CNCc1ccccc1Cl 34a_100000210953_100000187162 [2,0,0,0,0,0|2,0,0]=4 834 B13R1.158 CC(C)COCc1ccccc1Cl 34a_100000210257_100000187162 [2,0,0,0,0,0|2,0,0]=4 835 B13R1.158 CC(C)COCc1ccccc1Cl 34a_100000210847_100000210624 [2,0,0,0,0,0|2,0,0]=4 836 B13R1.158 CC(C)COCc1ccccc1Cl 7a_100000210847_100000210760 [2,0,0,0,0,0|2,0,0]=4 837 B13R1.158 CC(C)CSCc1ccccc1Cl 62a_100000187162_100000210760 [2,0,0,0,0,0|2,0,0]=4 838 B13R1.158 CC(C)CSCc1ccccc1Cl 62a_100000210624_100000187162 [2,0,0,0,0,0|2,0,0]=4 839 B13R1.158 CC(C)NCCc1ccccc1Br 2230a_100000747383_100000210206 [2,0,0,0,0,0|0,1,0]=3 840 B13R1.158 CC(C)NCCc1ccccc1Br 2230a_100138425928_100012161201 [2,0,0,0,0,0|0,1,0]=3 841 B13R1.158 CC(C)NCCc1ccccc1Br 34a_100000747383_100000210206 [2,0,0,0,0,0|0,1,0]=3 842 B13R1.158 CC(C)NCCc1ccccc1Br 34a_100138425928_100012161201 [2,0,0,0,0,0|0,1,0]=3 843 B13R1.158 CC(C)NCCc1ccccc1Cl 2230a_100011207228_100000210206 [2,0,0,0,0,0|0,0,0]=2 844 B13R1.158 CC(C)NCCc1ccccc1Cl 2230a_100138425928_100011713703 [2,0,0,0,0,0|0,0,0]=2 845 B13R1.158 CC(C)NCCc1ccccc1Cl 34a_100011207228_100000210206 [2,0,0,0,0,0|0,0,0]=2 846 B13R1.158 CC(C)NCCc1ccccc1Cl 34a_100138425928_100011713703 [2,0,0,0,0,0|0,0,0]=2 847 B13R1.158 CC(C)NCCc1ccccc1F 2230a_100000185272_100000210206 [2,0,0,0,0,0|0,1,0]=3 848 B13R1.158 CC(C)NCCc1ccccc1F 2230a_100138425928_100011713696 [2,0,0,0,0,0|0,1,0]=3 849 B13R1.158 CC(C)NCCc1ccccc1F 34a_100000185272_100000210206 [2,0,0,0,0,0|0,1,0]=3 850 B13R1.158 CC(C)NCCc1ccccc1F 34a_100138425928_100000720011 [2,0,0,0,0,0|0,1,0]=3 851 B13R1.158 CC(C)NCCc1ccccc1O 34a_100011207237_100000210206 [2,0,0,0,0,0|1,0,0]=3 852 B13R1.158 CC(C)NCCc1ccccc1O 34a_100138425928_100000722297 [2,0,0,0,0,0|1,0,0]=3 853 B13R1.158 CC(C)NCCn1ccccc1=O 2230a_100000687133_100000210206 [2,0,0,0,0,0|2,0,0]=4 854 B13R1.158 CC(C)NN=Cc1ccccc1Cl 4a_100000741168_100000210073 [2,0,0,0,0,0|1,0,1]=4 855 B13R1.158 CC(C)OCCc1ccccc1Br 34a_100000212225_100012161201 [2,0,0,0,0,0|1,1,0]=4 856 B13R1.158 CC(C)OCCc1ccccc1Br 34a_100000731337_100000210206 [2,0,0,0,0,0|1,1,0]=4 857 B13R1.158 CC(C)OCCc1ccccc1Br 7a_100000731337_100000210206 [2,0,0,0,0,0|1,1,0]=4 858 B13R1.158 CC(C)OCCc1ccccc1Cl 34a_100000212225_100011713703 [2,0,0,0,0,0|1,0,0]=3 859 B13R1.158 CC(C)OCCc1ccccc1Cl 34a_100011215284_100000210206 [2,0,0,0,0,0|1,0,0]=3 860 B13R1.158 CC(C)OCCc1ccccc1Cl 7a_100011215284_100000210206 [2,0,0,0,0,0|1,0,0]=3 861 B13R1.158 CC(C)OCCc1ccccc1F 34a_100000212225_100000720011 [2,0,0,0,0,0|1,1,0]=4 862 B13R1.158 CC(C)OCCc1ccccc1F 34a_100000753711_100000210206 [2,0,0,0,0,0|1,1,0]=4 863 B13R1.158 CC(C)OCCc1ccccc1F 7a_100000753711_100000210206 [2,0,0,0,0,0|1,1,0]=4 864 B13R1.158 CC(C)OCCc1ccccc1I 34a_100010255290_100000210206 [2,0,0,0,0,0|1,1,0]=4 865 B13R1.158 CC(C)OCCc1ccccc1I 7a_100010255290_100000210206 [2,0,0,0,0,0|1,1,0]=4 866 B13R1.158 CC(C)OCCc1ccccc1N 34a_100011215289_100000210206 [2,0,0,0,0,0|2,0,0]=4 867 B13R1.158 CC(C)OCCc1ccccc1O 34a_100000212225_100000722297 [2,0,0,0,0,0|2,0,0]=4 868 B13R1.158 CC(C)OCNc1ccccc1Cl 34a_100000185783_100000709892 [2,0,0,0,0,0|2,0,0]=4 869 B13R1.158 CC(C)OCOc1ccccc1Cl 34a_100000210172_100000709892 [2,0,0,0,0,0|2,0,0]=4 870 B13R1.158 CC(C)OCSc1ccccc1Cl 62a_100000709892_100000764095 [2,0,0,0,0,0|2,0,0]=4 871 B13R1.158 CC(C)OCSc1ccccc1Cl 62a_100000764095_100000709892 [2,0,0,0,0,0|2,0,0]=4 872 B13R1.158 CC(C)SCCc1ccccc1Br 62a_100000210206_100012161201 [2,0,0,0,0,0|1,1,0]=4 873 B13R1.158 CC(C)SCCc1ccccc1Br 62a_100012161201_100000210206 [2,0,0,0,0,0|1,1,0]=4 874 B13R1.158 CC(C)SCCc1ccccc1Cl 62a_100000210206_100011713703 [2,0,0,0,0,0|1,0,0]=3 875 B13R1.158 CC(C)SCCc1ccccc1Cl 62a_100011713703_100000210206 [2,0,0,0,0,0|1,0,0]=3 876 B13R1.158 CC(C)SCCc1ccccc1F 62a_100000210206_100011713696 [2,0,0,0,0,0|1,1,0]=4 877 B13R1.158 CC(C)SCCc1ccccc1F 62a_100011713696_100000210206 [2,0,0,0,0,0|1,1,0]=4 878 B13R1.158 CC(C)SCCc1ccccc1O 62a_100000210206_100000722297 [2,0,0,0,0,0|2,0,0]=4 879 B13R1.158 CC(C)SCCc1ccccc1O 62a_100000722297_100000210206 [2,0,0,0,0,0|2,0,0]=4 880 B13R1.158 Cc1ccccc1CCNC(C)C 2230a_100000685071_100000210206 [2,0,0,0,0,0|1,0,0]=3 881 B13R1.158 Cc1ccccc1CCNC(C)C 2230a_100138425928_100011713688 [2,0,0,0,0,0|1,0,0]=3 882 B13R1.158 Cc1ccccc1CCNC(C)C 34a_100000685071_100000210206 [2,0,0,0,0,0|1,0,0]=3 883 B13R1.158 Cc1ccccc1CCNC(C)C 34a_100138425928_100011713688 [2,0,0,0,0,0|1,0,0]=3 884 B13R1.158 Cc1ccccc1CCOC(C)C 34a_100000212225_100011713688 [2,0,0,0,0,0|2,0,0]=4 885 B13R1.158 Cc1ccccc1CCOC(C)C 34a_100011220023_100000210206 [2,0,0,0,0,0|2,0,0]=4 886 B13R1.158 Cc1ccccc1CCOC(C)C 7a_100011220023_100000210206 [2,0,0,0,0,0|2,0,0]=4 887 B13R1.158 Cc1ccccc1CCSC(C)C 62a_100000210206_100011713688 [2,0,0,0,0,0|2,0,0]=4 888 B13R1.158 Cc1ccccc1CCSC(C)C 62a_100011713688_100000210206 [2,0,0,0,0,0|2,0,0]=4 889 B13R1.674 CCNCC(O)c1ccccc1Br 2230a_100011236429_100000210202 [2,0,0,0,0,0|0,1,0]=3 890 B13R1.674 CCNCC(O)c1ccccc1Cl 2230a_200000759403_100000210202 [2,0,0,0,0,0|0,0,0]=2 891 B13R1.674 CCNCC(O)c1ccccc1Cl 34a_200000759403_100000210202 [2,0,0,0,0,0|0,0,0]=2 892 B13R1.674 CCOCC(N)c1ccccc1Cl 34a_100138412506_100000210202 [2,0,0,0,0,0|2,0,0]=4 893 B13R1.674 OC(CNCF)c1ccccc1Cl 34a_200000759403_100015361967 [2,0,0,0,0,0|1,0,0]=3 894 B13R1.3523 CC(C)(C)CCNc1ccccc1 34a_100000106764_100000755188 [2,0,0,0,0,0|2,0,0]=4 895 B13R1.3523 CC(C)(C)CCOc1ccccc1 34a_100000210340_100000755188 [2,0,0,0,0,0|2,0,0]=4 896 B13R1.3523 CC(C)(C)CCOc1ccccc1 7a_100000210340_100000755188 [2,0,0,0,0,0|2,0,0]=4 897 B13R1.3523 CC(C)(C)CCSc1ccccc1 62a_100000719477_100000755188 [2,0,0,0,0,0|2,0,0]=4 898 B13R1.3523 CC(C)(C)CCSc1ccccc1 62a_100000755188_100000041952 [2,0,0,0,0,0|2,0,0]=4 899 B13R1.3523 CC(C)(C)CNCc1ccccc1 207a_100000743828_100015611070 [2,0,0,0,0,0|2,0,0]=4 900 B13R1.3523 CC(C)(C)CNCc1ccccc1 2230a_100000743828_100015291786 [2,0,0,0,0,0|2,0,0]=4 901 B13R1.3523 CC(C)(C)CNCc1ccccc1 270004a_100000743828_100015611070 [2,0,0,0,0,0|2,0,0]=4 902 B13R1.3523 CC(C)(C)CNCc1ccccc1 270004a_100015324214_100011204126 [2,0,0,0,0,0|2,0,0]=4 903 B13R1.3523 CC(C)(C)CNCc1ccccc1 34a_100015324214_100011219605 [2,0,0,0,0,0|2,0,0]=4 904 B13R1.3523 CC(C)(C)COCc1ccccc1 34a_100000210790_100011219605 [2,0,0,0,0,0|2,0,0]=4 905 B13R1.3523 CC(C)(C)CSCc1ccccc1 62a_100000211182_100011219605 [2,0,0,0,0,0|2,0,0]=4 906 B13R1.3523 CC(C)(C)CSCc1ccccc1 62a_100011219605_100015291786 [2,0,0,0,0,0|2,0,0]=4 907 B13R1.3523 CC(C)(C)NCCc1ccccc1 2230a_100000715429_100000765856 [2,0,0,0,0,0|0,0,0]=2 908 B13R1.3523 CC(C)(C)NCCc1ccccc1 34a_100000106460_100000210625 [2,0,0,0,0,0|0,0,0]=2 909 B13R1.3523 CC(C)(C)NCCc1ccccn1 2230a_100000715429_100015183660 [2,0,0,0,0,0|1,0,0]=3 910 B13R1.3523 CC(C)(C)NCCc1cccnc1 2230a_100000715429_200011713674 [2,0,0,0,0,0|1,0,0]=3 911 B13R1.3523 CC(C)(C)NCCc1ccncc1 2230a_100000715429_100000723409 [2,0,0,0,0,0|1,0,0]=3 912 B13R1.3523 CC(C)(C)NCSc1ccccc1 2230a_100000715429_100011218342 [2,0,0,0,0,0|1,0,0]=3 913 B13R1.3523 CC(C)(C)NN=Cc1ccccc1 4a_100000725372_100015611070 [2,0,0,0,0,0|1,0,1]=4 914 B13R1.3523 CC(C)(C)OCCc1ccccc1 34a_100000210268_100000210625 [2,0,0,0,0,0|1,0,0]=3 915 B13R1.3523 CC(C)(C)OCCc1ccccc1 34a_100015890283_100000765856 [2,0,0,0,0,0|1,0,0]=3 916 B13R1.3523 CC(C)(C)OCCc1ccccc1 7a_100015890283_100000765856 [2,0,0,0,0,0|1,0,0]=3 917 B13R1.3523 CC(C)(C)OCCc1ccccn1 34a_100000210271_100000210625 [2,0,0,0,0,0|2,0,0]=4 918 B13R1.3523 CC(C)(C)OCCc1ccccn1 7a_100015890283_100015183660 [2,0,0,0,0,0|2,0,0]=4 919 B13R1.3523 CC(C)(C)OCCc1cccnc1 34a_100011217484_100000210625 [2,0,0,0,0,0|2,0,0]=4 920 B13R1.3523 CC(C)(C)OCCc1cccnc1 7a_100015890283_200011713674 [2,0,0,0,0,0|2,0,0]=4 921 B13R1.3523 CC(C)(C)OCCc1ccncc1 34a_100011216225_100000210625 [2,0,0,0,0,0|2,0,0]=4 922 B13R1.3523 CC(C)(C)OCCc1ccncc1 7a_100015890283_100000723409 [2,0,0,0,0,0|2,0,0]=4 923 B13R1.3523 CC(C)(C)SCCc1ccccc1 62a_100000211941_100011218657 [2,0,0,0,0,0|1,0,0]=3 924 B13R1.3523 CC(C)(C)SCCc1ccccc1 62a_100000765856_100000211941 [2,0,0,0,0,0|1,0,0]=3 925 B13R1.3523 CC(C)(C)SCCc1ccccn1 62a_100000211941_100015183660 [2,0,0,0,0,0|2,0,0]=4 926 B13R1.3523 CC(C)(C)SCCc1ccccn1 62a_100015183660_100000211941 [2,0,0,0,0,0|2,0,0]=4 927 B13R1.3523 CC(C)(C)SCCc1cccnc1 62a_100000211941_200011713674 [2,0,0,0,0,0|2,0,0]=4 928 B13R1.3523 CC(C)(C)SCCc1cccnc1 62a_200011713674_100000211941 [2,0,0,0,0,0|2,0,0]=4 929 B13R1.3523 CC(C)(C)SCCc1ccncc1 62a_100000211941_100000723409 [2,0,0,0,0,0|2,0,0]=4 930 B13R1.3523 CC(C)(C)SCCc1ccncc1 62a_100000723409_100000211941 [2,0,0,0,0,0|2,0,0]=4 931 B13R1.3523 CC(C)(C)SCSc1ccccc1 62a_100000211941_100011218342 [2,0,0,0,0,0|2,0,0]=4 932 B13R1.3523 CC(C)(C)SCSc1ccccc1 62a_100011218342_100000211941 [2,0,0,0,0,0|2,0,0]=4 933 B15R1.5792 CC(C)CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000210624 [1,1,0,0,0,0|1,0,1]=4 934 B15R1.5792 CC(C)NC(=O)C(C)c1ccccc1Cl 11a_100138425928_100011667492 [1,1,0,0,0,0|1,0,1]=4 935 B15R1.5792 CC(C)NC(=O)C(C)c1ccccc1Cl 1626a_100138425928_100011667492 [1,1,0,0,0,0|1,0,1]=4 936 B15R1.5792 CC(C)NC(=O)C(C)c1ccccc1Cl 240690a_100138425928_100011667492 [1,1,0,0,0,0|1,0,1]=4 937 B15R1.5792 CC(C)NC(=O)C(C)c1ccccc1Cl 527a_100138425928_100011667492 [1,1,0,0,0,0|1,0,1]=4 938 B15R1.5792 CC(C)NC(=O)C(O)c1ccccc1Br 240690a_100138425928_200011356456 [1,1,0,0,0,0|0,1,1]=4 939 B15R1.5792 CC(C)NC(=O)C(O)c1ccccc1Cl 240690a_100138425928_100011217820 [1,1,0,0,0,0|0,0,1]=3 940 B15R1.5792 CC(C)NC(=O)C(O)c1ccccc1F 240690a_100138425928_100011219519 [1,1,0,0,0,0|0,1,1]=4 941 B15R1.5792 CC(C)NC(C)C(=O)c1ccccc1Cl 2230a_100138425928_100010255250 [1,1,0,0,0,0|0,0,2]=4 942 B15R1.5793 CC(C)C(=O)CC(C)c1ccccc1Cl 1458a_100012184337_100000210206 [1,1,0,0,0,0|2,0,0]=4 943 B15R1.5793 CC(C)N(C)CC(=O)c1ccccc1Cl 269982a_200000211004_100000211432 [1,1,0,0,0,0|0,0,2]=4 944 B15R1.5793 CC(C)N(C)CC(O)c1ccccc1Cl 2230a_200016988571_200000210301 [1,1,0,0,0,0|0,0,0]=2 945 B15R1.5793 CC(C)N(C)CC(O)c1ccccc1Cl 269982a_200016988571_200000210301 [1,1,0,0,0,0|0,0,0]=2 946 B15R1.5793 CC(C)N(C)CC(O)c1ccccc1Cl 34a_200016988571_200000210301 [1,1,0,0,0,0|0,0,0]=2 947 B15R1.5793 CC(C)N([13CH3])CC(O)c1ccccc1Cl 2230a_200016988571_200025704644 [1,1,0,0,0,0|0,0,0]=2 948 B15R1.5793 CC(C)N([13CH3])CC(O)c1ccccc1Cl 269982a_200016988571_200025704644 [1,1,0,0,0,0|0,0,0]=2 949 B15R1.5793 CC(C)N([13CH3])CC(O)c1ccccc1Cl 34a_200016988571_200025704644 [1,1,0,0,0,0|0,0,0]=2 950 B15R1.5815 C#CC(C)NCC(O)c1ccccc1Cl 34a_200000759403_200000035995 [1,1,0,0,0,0|0,0,1]=3 951 B15R1.5815 CC(C#N)NCC(O)c1ccccc1Br 2230a_100011236429_100000184139 [1,1,0,0,0,0|0,1,1]=4 952 B15R1.5815 CC(C#N)NCC(O)c1ccccc1Cl 2230a_200000759403_100000184139 [1,1,0,0,0,0|0,0,1]=3 953 B15R1.5815 CC(CO)NCC(O)c1ccccc1Br 2230a_100011236429_100012180447 [1,1,0,0,0,0|0,1,0]=3 954 B15R1.5815 CC(CO)NCC(O)c1ccccc1Cl 2230a_200000759403_100012180447 [1,1,0,0,0,0|0,0,0]=2 955 B15R1.5815 CC(CO)NCC(O)c1ccccc1Cl 34a_200000759403_100012180447 [1,1,0,0,0,0|0,0,0]=2 956 B15R1.5815 CC(CO)OCC(N)c1ccccc1Cl 34a_100138412506_100012180447 [1,1,0,0,0,0|2,0,0]=4 957 B15R1.5815 CCC(=O)NCC(O)c1ccccc1Cl 240690a_200000759403_100000210414 [1,1,0,0,0,0|1,0,1]=4 958 B15R1.5815 CCC(=O)NCC(O)c1ccccc1Cl 527a_200000759403_100000210414 [1,1,0,0,0,0|1,0,1]=4 959 B15R1.5815 CCC(C)NCC(O)c1ccccc1Br 2230a_100011236429_100000758301 [1,1,0,0,0,0|0,1,0]=3 960 B15R1.5815 CCC(C)NCC(O)c1ccccc1Cl 2230a_200000759403_100000758301 [1,1,0,0,0,0|0,0,0]=2 961 B15R1.5815 CCC(C)NCC(O)c1ccccc1Cl 34a_200000759403_100011215416 [1,1,0,0,0,0|0,0,0]=2 962 B15R1.5815 CCC(C)OCC(N)c1ccccc1Cl 34a_100138412506_100011215416 [1,1,0,0,0,0|2,0,0]=4 963 B15R1.5815 CNC(=O)NCC(O)c1ccccc1Cl 2708a_100102657272_200000759403 [1,1,0,0,0,0|1,0,1]=4 964 B15R1.5815 CNC(=O)NCC(O)c1ccccc1Cl 273464a_100102657272_200000759403 [1,1,0,0,0,0|1,0,1]=4 965 B15R1.5815 CNC(=O)NCC(O)c1ccccc1Cl 273464a_200000759403_100102657272 [1,1,0,0,0,0|1,0,1]=4 966 B15R1.5815 CNC(=O)NCC(O)c1ccccc1Cl 512a_106832991638_200000759403 [1,1,0,0,0,0|1,0,1]=4 967 B15R1.5815 O=C(CO)NCC(O)c1ccccc1Cl 240690a_200000759403_100000210174 [1,1,0,0,0,0|1,0,1]=4 968 B15R1.5815 O=C(CO)NCC(O)c1ccccc1Cl 527a_200000759403_100000210174 [1,1,0,0,0,0|1,0,1]=4 969 B15R1.5822 CC(C)NCC(=O)c1ccc(cc1Cl)Cl 2230a_100138425928_100011218845 [1,1,0,0,0,0|0,0,2]=4 970 B15R1.5822 CC(C)NCC(=O)c1ccc(cc1Cl)F 2230a_100138425928_100012056422 [1,1,0,0,0,0|0,0,2]=4 971 B15R1.5822 CC(C)NCC(=O)c1ccc(cc1Cl)F 34a_100138425928_100012056422 [1,1,0,0,0,0|0,0,2]=4 972 B15R1.5822 CC(C)NC[C@@H](O)c1ccc(cc1F)F 2230a_100138425928_100000761269 [1,1,0,0,0,0|0,1,0]=3 973 B15R1.5822 CC(C)NC[C@@H](O)c1ccc(cc1F)F 34a_100138425928_100000761269 [1,1,0,0,0,0|0,1,0]=3 974 B15R1.5822 CC(C)NC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100138425928_100000761231 [1,1,0,0,0,0|0,0,0]=2 975 B15R1.5822 CC(C)NC[C@H](O)c1ccc(cc1Cl)Cl 34a_100138425928_100000761231 [1,1,0,0,0,0|0,0,0]=2 976 B15R1.5822 CC(C)OC[C@@H](N)c1ccc(cc1Cl)F 34a_102531768864_100000210206 [1,1,0,0,0,0|2,0,0]=4 977 B15R1.5822 CC(C)OC[C@@H](O)c1ccc(cc1F)F 34a_100000212225_100000761269 [1,1,0,0,0,0|1,1,0]=4 978 B15R1.5822 CC(C)OC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000212225_100000761231 [1,1,0,0,0,0|1,0,0]=3 979 B15R1.5822 CC(C)SC[C@@H](O)c1ccc(cc1F)F 62a_100000210206_100000761269 [1,1,0,0,0,0|1,1,0]=4 980 B15R1.5822 CC(C)SC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000210206 [1,1,0,0,0,0|1,1,0]=4 981 B15R1.5822 CC(C)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000210206_100000761231 [1,1,0,0,0,0|1,0,0]=3 982 B15R1.5822 CC(C)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000210206 [1,1,0,0,0,0|1,0,0]=3 983 B15R1.8020 CC(C)NCC(C)(C)c1ccccc1F 2230a_100000748766_100000210206 [1,1,0,0,0,0|1,1,0]=4 984 B15R1.8020 CC(C)NCC(C)(C)c1ccccc1F 34a_100000748766_100000210206 [1,1,0,0,0,0|1,1,0]=4 985 B15R1.8312 CC(C)NCC(=O)c1c(cccc1Cl)Cl 2230a_100138425928_100012340516 [1,1,0,0,0,0|0,0,2]=4 986 B15R1.8312 CC(C)NCC(=O)c1c(cccc1Cl)Cl 34a_100138425928_100012340516 [1,1,0,0,0,0|0,0,2]=4 987 B15R1.8312 CC(C)NCC(=O)c1c(cccc1Cl)F 2230a_100138425928_100011219195 [1,1,0,0,0,0|0,0,2]=4 988 B15R1.8312 CC(C)NCC(=O)c1c(cccc1Cl)F 34a_100138425928_100011219195 [1,1,0,0,0,0|0,0,2]=4 989 B15R1.8420 CC(C)NCC(=O)c1cc(ccc1Cl)Cl 2230a_100138425928_100000183120 [1,1,0,0,0,0|0,0,2]=4 990 B15R1.8420 CC(C)NCC(=O)c1cc(ccc1Cl)F 34a_100138425928_200010187420 [1,1,0,0,0,0|0,0,2]=4 991 B15R1.10019 CC(C)CNC(CO)c1ccccc1Cl 2230a_100138412506_100000210760 [1,1,0,0,0,0|2,0,0]=4 992 B15R1.10019 CC(C)CNC(CO)c1ccccc1Cl 270004a_100138412506_100000210432 [1,1,0,0,0,0|2,0,0]=4 993 B15R1.10019 CC(C)CNC(CO)c1ccccc1Cl 34a_100138412506_100000210624 [1,1,0,0,0,0|2,0,0]=4 994 B15R1.10019 CC(C)NCC(O[13CH3])c1ccccc1Cl 34a_200016988571_200025704644 [1,1,0,0,0,0|0,0,0]=2 995 B15R1.10019 COC(CNC(C)C)c1ccccc1Cl 34a_200016988571_200000210301 [1,1,0,0,0,0|0,0,0]=2 996 B15R1.122 CC(C)(C)CCNc1cccc(c1Cl)Br 34a_100000687075_100000755188 [1,1,0,0,0,0|2,0,0]=4 997 B15R1.122 CC(C)(C)CCNc1cccc(c1Cl)Cl 34a_100000185733_100000755188 [1,1,0,0,0,0|2,0,0]=4 998 B15R1.122 CC(C)(C)CCNc1cccc(c1Cl)F 34a_100000692321_100000755188 [1,1,0,0,0,0|2,0,0]=4 999 B15R1.122 CC(C)(C)CCNc1cccc(c1Cl)O 34a_100012002038_100000755188 [1,1,0,0,0,0|2,0,0]=4 1000 B15R1.122 CC(C)(C)CCNc1cccc(c1Cl)O 7a_100012002038_100000755188 [1,1,0,0,0,0|2,0,0]=4 1001 B15R1.122 CC(C)(C)CCOc1cccc(c1Cl)Br 34a_100010187913_100000755188 [1,1,0,0,0,0|2,0,0]=4 1002 B15R1.122 CC(C)(C)CCOc1cccc(c1Cl)Br 7a_100010187913_100000755188 [1,1,0,0,0,0|2,0,0]=4 1003 B15R1.122 CC(C)(C)CCOc1cccc(c1Cl)Cl 34a_100000211076_100000755188 [1,1,0,0,0,0|2,0,0]=4 1004 B15R1.122 CC(C)(C)CCOc1cccc(c1Cl)Cl 7a_100000211076_100000755188 [1,1,0,0,0,0|2,0,0]=4 1005 B15R1.122 CC(C)(C)CCOc1cccc(c1Cl)F 34a_100000087408_100000755188 [1,1,0,0,0,0|2,0,0]=4 1006 B15R1.122 CC(C)(C)CCOc1cccc(c1Cl)F 7a_100000087408_100000755188 [1,1,0,0,0,0|2,0,0]=4 1007 B15R1.122 CC(C)(C)CCOc1cccc(c1Cl)I 34a_100000049636_100000755188 [1,1,0,0,0,0|2,0,0]=4 1008 B15R1.122 CC(C)(C)CCOc1cccc(c1Cl)I 7a_100000049636_100000755188 [1,1,0,0,0,0|2,0,0]=4 1009 B15R1.122 CC(C)(C)CCOc1cccc(c1Cl)N 34a_100012002038_100000755188 [1,1,0,0,0,0|2,0,0]=4 1010 B15R1.122 CC(C)(C)CCOc1cccc(c1Cl)N 7a_100012002038_100000755188 [1,1,0,0,0,0|2,0,0]=4 1011 B15R1.122 CC(C)(C)CCSc1cccc(c1Cl)O 62a_100000755188_100000049636 [1,1,0,0,0,0|2,0,0]=4 1012 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)Br 207a_100000743828_100012362481 [1,1,0,0,0,0|2,0,0]=4 1013 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)Br 2230a_100000743828_100012349491 [1,1,0,0,0,0|2,0,0]=4 1014 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)Br 26a_100000743828_100010187913 [1,1,0,0,0,0|2,0,0]=4 1015 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)Br 270004a_100000743828_100012362481 [1,1,0,0,0,0|2,0,0]=4 1016 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)Cl 207a_100000743828_100000210504 [1,1,0,0,0,0|2,0,0]=4 1017 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)Cl 2230a_100000743828_100000723366 [1,1,0,0,0,0|2,0,0]=4 1018 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)Cl 26a_100000743828_100000211076 [1,1,0,0,0,0|2,0,0]=4 1019 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)Cl 270004a_100000743828_100000210504 [1,1,0,0,0,0|2,0,0]=4 1020 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)Cl 270004a_100011211633_100011204126 [1,1,0,0,0,0|2,0,0]=4 1021 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)Cl 34a_100011211633_100011219605 [1,1,0,0,0,0|2,0,0]=4 1022 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)F 207a_100000743828_100011998484 [1,1,0,0,0,0|2,0,0]=4 1023 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)F 2230a_100000743828_100000696688 [1,1,0,0,0,0|2,0,0]=4 1024 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)F 26a_100000743828_100000087408 [1,1,0,0,0,0|2,0,0]=4 1025 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)F 270004a_100000743828_100011998484 [1,1,0,0,0,0|2,0,0]=4 1026 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)F 270004a_100012001614_100011204126 [1,1,0,0,0,0|2,0,0]=4 1027 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)F 34a_100012001614_100011219605 [1,1,0,0,0,0|2,0,0]=4 1028 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)I 26a_100000743828_100000049636 [1,1,0,0,0,0|2,0,0]=4 1029 B15R1.122 CC(C)(C)CNCc1cccc(c1Cl)O 270004a_100000743828_100000050521 [1,1,0,0,0,0|2,0,0]=4 1030 B15R1.122 CC(C)(C)COCc1cccc(c1Cl)Br 34a_100012351182_100011219605 [1,1,0,0,0,0|2,0,0]=4 1031 B15R1.122 CC(C)(C)COCc1cccc(c1Cl)Cl 34a_100000720469_100011219605 [1,1,0,0,0,0|2,0,0]=4 1032 B15R1.122 CC(C)(C)COCc1cccc(c1Cl)F 34a_100000696319_100011219605 [1,1,0,0,0,0|2,0,0]=4 1033 B15R1.122 CC(C)(C)CSCc1cccc(c1Cl)F 62a_100000696688_100011219605 [1,1,0,0,0,0|2,0,0]=4 1034 B15R1.122 CC(C)(C)CSCc1cccc(c1Cl)F 62a_100011219605_100000696688 [1,1,0,0,0,0|2,0,0]=4 1035 B15R1.122 CC(C)(C)NCCc1cccc(c1Cl)Cl 2230a_100000715429_100000723033 [1,1,0,0,0,0|0,0,0]=2 1036 B15R1.122 CC(C)(C)NCCc1cccc(c1Cl)Cl 34a_100000741019_100000210625 [1,1,0,0,0,0|0,0,0]=2 1037 B15R1.122 CC(C)(C)NN=Cc1cccc(c1Cl)Br 4a_100000725372_100012362481 [1,1,0,0,0,0|1,0,1]=4 1038 B15R1.122 CC(C)(C)NN=Cc1cccc(c1Cl)Cl 4a_100000725372_100000210504 [1,1,0,0,0,0|1,0,1]=4 1039 B15R1.122 CC(C)(C)NN=Cc1cccc(c1Cl)F 4a_100000725372_100011998484 [1,1,0,0,0,0|1,0,1]=4 1040 B15R1.122 CC(C)(C)NN=Cc1cccc(c1Cl)O 4a_100000725372_100000050521 [1,1,0,0,0,0|1,0,1]=4 1041 B15R1.122 CC(C)(C)OCCc1cccc(c1Cl)Cl 34a_100011754357_100000210625 [1,1,0,0,0,0|1,0,0]=3 1042 B15R1.122 CC(C)(C)OCCc1cccc(c1Cl)Cl 34a_100015890283_100000723033 [1,1,0,0,0,0|1,0,0]=3 1043 B15R1.122 CC(C)(C)OCCc1cccc(c1Cl)Cl 7a_100015890283_100000723033 [1,1,0,0,0,0|1,0,0]=3 1044 B15R1.122 CC(C)(C)OCCc1cccc(c1F)Cl 34a_100011830271_100000210625 [1,1,0,0,0,0|1,1,0]=4 1045 B15R1.122 CC(C)(C)OCCc1cccc(c1F)F 34a_100000698707_100000210625 [1,1,0,0,0,0|1,1,0]=4 1046 B15R1.122 Cc1c(cccc1CCNC(C)(C)C)Br 34a_100161000114_100000210625 [1,1,0,0,0,0|1,0,0]=3 1047 B15R1.122 Cc1cccc(c1Cl)C=NNC(C)(C)C 4a_100000725372_100012017286 [1,1,0,0,0,0|1,0,1]=4 1048 B15R1.122 Cc1cccc(c1Cl)CNCC(C)(C)C 207a_100000743828_100012017286 [1,1,0,0,0,0|2,0,0]=4 1049 B15R1.122 Cc1cccc(c1Cl)CNCC(C)(C)C 26a_100000743828_100000695629 [1,1,0,0,0,0|2,0,0]=4 1050 B15R1.122 Cc1cccc(c1Cl)CNCC(C)(C)C 270004a_100000743828_100012017286 [1,1,0,0,0,0|2,0,0]=4 1051 B15R1.122 Cc1cccc(c1Cl)CNCC(C)(C)C 270004a_100025705714_100011204126 [1,1,0,0,0,0|2,0,0]=4 1052 B15R1.122 Cc1cccc(c1Cl)CNCC(C)(C)C 34a_100025705714_100011219605 [1,1,0,0,0,0|2,0,0]=4 1053 B15R1.122 Cc1cccc(c1Cl)COCC(C)(C)C 34a_100000710031_100011219605 [1,1,0,0,0,0|2,0,0]=4 1054 B15R1.122 Cc1cccc(c1Cl)NCCC(C)(C)C 34a_100000765562_100000755188 [1,1,0,0,0,0|2,0,0]=4 1055 B15R1.122 Cc1cccc(c1Cl)NCCC(C)(C)C 7a_100000765562_100000755188 [1,1,0,0,0,0|2,0,0]=4 1056 B15R1.122 Cc1cccc(c1Cl)OCCC(C)(C)C 34a_100000695629_100000755188 [1,1,0,0,0,0|2,0,0]=4 1057 B15R1.122 Cc1cccc(c1Cl)OCCC(C)(C)C 7a_100000695629_100000755188 [1,1,0,0,0,0|2,0,0]=4 1058 B15R1.3531 CC(C)(C)NCCc1ccccc1C#N 2230a_100000715429_200013032965 [1,1,0,0,0,0|1,0,0]=3 1059 B15R1.3531 CC(C)(C)NCCc1ccccc1C=O 2230a_100000715429_100010186698 [1,1,0,0,0,0|1,0,0]=3 1060 B15R1.3531 CC(C)(C)NCCc1ccccc1[Pd]Cl 34a_106741704370_100000210625 [1,1,0,0,0,0|0,0,0]=2 1061 B15R1.3531 CC(C)(C)OCCc1ccccc1C#N 34a_100015890283_200013032965 [1,1,0,0,0,0|2,0,0]=4 1062 B15R1.3531 CC(C)(C)OCCc1ccccc1C#N 7a_100015890283_200013032965 [1,1,0,0,0,0|2,0,0]=4 1063 B15R1.3531 CC(C)(C)OCCc1ccccc1C=O 34a_100015890283_100010186698 [1,1,0,0,0,0|2,0,0]=4 1064 B15R1.3531 CC(C)(C)OCCc1ccccc1C=O 7a_100015890283_100010186698 [1,1,0,0,0,0|2,0,0]=4 1065 B15R1.3531 CC(C)(C)SCCc1ccccc1C#N 62a_100000211941_200013032965 [1,1,0,0,0,0|2,0,0]=4 1066 B15R1.3531 CC(C)(C)SCCc1ccccc1C=O 62a_100000211941_100010186698 [1,1,0,0,0,0|2,0,0]=4 1067 B15R1.3531 CC(C)(C)SCCc1ccccc1C=O 62a_100010186698_100000211941 [1,1,0,0,0,0|2,0,0]=4 1068 B15R1.3531 CCc1ccccc1CCNC(C)(C)C 34a_100011663701_100000210625 [1,1,0,0,0,0|1,0,0]=3 1069 B15R1.3531 COc1ccccc1CCNC(C)(C)C 2230a_100000715429_100011713687 [1,1,0,0,0,0|1,0,0]=3 1070 B15R1.3531 COc1ccccc1CCNC(C)(C)C 34a_100000211851_100000210625 [1,1,0,0,0,0|1,0,0]=3 1071 B15R1.3531 COc1ccccc1CCOC(C)(C)C 34a_100011218620_100000210625 [1,1,0,0,0,0|2,0,0]=4 1072 B15R1.3531 COc1ccccc1CCOC(C)(C)C 34a_100015890283_100011713687 [1,1,0,0,0,0|2,0,0]=4 1073 B15R1.3531 COc1ccccc1CCOC(C)(C)C 7a_100015890283_100011713687 [1,1,0,0,0,0|2,0,0]=4 1074 B15R1.3531 COc1ccccc1CCSC(C)(C)C 62a_100000211941_100011713687 [1,1,0,0,0,0|2,0,0]=4 1075 B15R1.3531 COc1ccccc1CCSC(C)(C)C 62a_100011713687_100000211941 [1,1,0,0,0,0|2,0,0]=4 1076 B15R1.5802 CC(C)(C)CC(=O)Cc1ccccc1Cl 1458a_100000211214_100000187162 [1,1,0,0,0,0|1,0,1]=4 1077 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1Br 11a_100000715429_100000751119 [1,1,0,0,0,0|0,1,1]=4 1078 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1Br 240690a_100000715429_100000751119 [1,1,0,0,0,0|0,1,1]=4 1079 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1Br 527a_100000715429_100000751119 [1,1,0,0,0,0|0,1,1]=4 1080 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1Cl 11a_100000715429_100000183793 [1,1,0,0,0,0|0,0,1]=3 1081 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1Cl 1626a_100000715429_100000183793 [1,1,0,0,0,0|0,0,1]=3 1082 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1Cl 240690a_100000715429_100000183793 [1,1,0,0,0,0|0,0,1]=3 1083 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1Cl 527a_100000715429_100000183793 [1,1,0,0,0,0|0,0,1]=3 1084 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1F 11a_100000715429_100000212012 [1,1,0,0,0,0|0,1,1]=4 1085 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1F 1626a_100000715429_100000212012 [1,1,0,0,0,0|0,1,1]=4 1086 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1F 240690a_100000715429_100000212012 [1,1,0,0,0,0|0,1,1]=4 1087 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1F 527a_100000715429_100000212012 [1,1,0,0,0,0|0,1,1]=4 1088 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1I 11a_100000715429_100000036491 [1,1,0,0,0,0|0,1,1]=4 1089 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1I 1626a_100000715429_100000036491 [1,1,0,0,0,0|0,1,1]=4 1090 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1I 240690a_100000715429_100000036491 [1,1,0,0,0,0|0,1,1]=4 1091 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1I 527a_100000715429_100000036491 [1,1,0,0,0,0|0,1,1]=4 1092 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1O 240690a_100000715429_100000743006 [1,1,0,0,0,0|1,0,1]=4 1093 B15R1.5802 CC(C)(C)NC(=O)Cc1ccccc1O 527a_100000715429_100000743006 [1,1,0,0,0,0|1,0,1]=4 1094 B15R1.5802 CC(C)(C)NC(=O)Cc1cccnc1Cl 11a_100000715429_100000093521 [1,1,0,0,0,0|1,0,1]=4 1095 B15R1.5802 CC(C)(C)NC(=O)Cc1cccnc1Cl 1626a_100000715429_100000093521 [1,1,0,0,0,0|1,0,1]=4 1096 B15R1.5802 CC(C)(C)NC(=O)Cc1cccnc1Cl 240690a_100000715429_100000093521 [1,1,0,0,0,0|1,0,1]=4 1097 B15R1.5802 CC(C)(C)NC(=O)Cc1cccnc1Cl 527a_100000715429_100000093521 [1,1,0,0,0,0|1,0,1]=4 1098 B15R1.5802 CC(C)(C)NC(=O)Cc1ncccc1Cl 11a_100000715429_100011998755 [1,1,0,0,0,0|1,0,1]=4 1099 B15R1.5802 CC(C)(C)NC(=O)Cc1ncccc1Cl 240690a_100000715429_100011998755 [1,1,0,0,0,0|1,0,1]=4 1100 B15R1.5802 CC(C)(C)NC(=O)Cc1ncccc1Cl 527a_100000715429_100011998755 [1,1,0,0,0,0|1,0,1]=4 1101 B15R1.5802 CC(C)(C)NC(=O)Nc1ccccc1Cl 2430a_100000185783_100000715429 [1,1,0,0,0,0|1,0,1]=4 1102 B15R1.5802 CN(Cc1ccccc1Cl)CC(C)(C)C 2230a_100000742839_100000187162 [1,1,0,0,0,0|2,0,0]=4 1103 B15R1.5802 CN(Cc1ccccc1Cl)CC(C)(C)C 269982a_100000742839_100000187162 [1,1,0,0,0,0|2,0,0]=4 1104 B15R1.5802 CN(Cc1ccccc1Cl)CC(C)(C)C 26a_100000742839_100000210172 [1,1,0,0,0,0|2,0,0]=4 1105 B15R1.5802 CN(Cc1ccccc1Cl)CC(C)(C)C 270004a_100000184507_100011204126 [1,1,0,0,0,0|2,0,0]=4 1106 B15R1.5802 CN(Cc1ccccc1Cl)CC(C)(C)C 270004a_100000742839_100000210073 [1,1,0,0,0,0|2,0,0]=4 1107 B15R1.5802 Cc1ccccc1CC(=O)NC(C)(C)C 11a_100000715429_100000212180 [1,1,0,0,0,0|1,0,1]=4 1108 B15R1.5802 Cc1ccccc1CC(=O)NC(C)(C)C 1626a_100000715429_100000212180 [1,1,0,0,0,0|1,0,1]=4 1109 B15R1.5802 Cc1ccccc1CC(=O)NC(C)(C)C 240690a_100000715429_100000212180 [1,1,0,0,0,0|1,0,1]=4 1110 B15R1.5802 Cc1ccccc1CC(=O)NC(C)(C)C 527a_100000715429_100000212180 [1,1,0,0,0,0|1,0,1]=4 1111 B15R1.6638 CC(C)(C)C(=O)CCc1ccccc1Br 1458a_106744555173_100012161201 [1,1,0,0,0,0|1,1,0]=4 1112 B15R1.6638 CC(C)(C)C(=O)CCc1ccccc1Cl 1458a_106744555173_100011713703 [1,1,0,0,0,0|1,0,0]=3 1113 B15R1.6638 CC(C)(C)C(=O)CCc1ccccc1F 1458a_106744555173_100000720011 [1,1,0,0,0,0|1,1,0]=4 1114 B15R1.6638 CC(C)(C)C(=O)CCc1ccccc1O 1458a_106744555173_100000722297 [1,1,0,0,0,0|2,0,0]=4 1115 B15R1.6638 CC(C)(C)C(=O)CNc1ccccc1Cl 34a_100000185783_100000229897 [1,1,0,0,0,0|2,0,0]=4 1116 B15R1.6638 CC(C)(C)C(=O)COc1ccccc1Cl 34a_100000210172_100000229897 [1,1,0,0,0,0|2,0,0]=4 1117 B15R1.6638 CC(C)(C)C(=O)COc1ccccc1Cl 7a_100000210172_100000210923 [1,1,0,0,0,0|2,0,0]=4 1118 B15R1.6638 CC(C)(C)C(=O)CSc1ccccc1Cl 62a_100000210923_100000764095 [1,1,0,0,0,0|2,0,0]=4 1119 B15R1.6638 CC(C)(C)C(=O)CSc1ccccc1Cl 62a_100000764095_100000210923 [1,1,0,0,0,0|2,0,0]=4 1120 B15R1.6638 CC(C)(C)C(=O)NCc1ccccc1Cl 11a_100000174879_106744555173 [1,1,0,0,0,0|2,0,0]=4 1121 B15R1.6638 CC(C)(C)C(=O)NCc1ccccc1Cl 1626a_100000174879_106744555173 [1,1,0,0,0,0|2,0,0]=4 1122 B15R1.6638 CC(C)(C)C(=O)NCc1ccccc1Cl 240690a_100000174879_106744555173 [1,1,0,0,0,0|2,0,0]=4 1123 B15R1.6638 CC(C)(C)C(=O)NCc1ccccc1Cl 527a_100000174879_106744555173 [1,1,0,0,0,0|2,0,0]=4 1124 B15R1.6638 CC(C)(F)C(=O)CCc1ccccc1Cl 1458a_100000765255_100011713703 [1,1,0,0,0,0|2,0,0]=4 1125 B15R1.6638 CC(C)(O)C(=O)CCc1ccccc1Cl 1458a_100000242741_100011713703 [1,1,0,0,0,0|2,0,0]=4 1126 B15R1.6638 CN(CCc1ccccc1Br)C(C)(C)C 269982a_100011215553_100012161201 [1,1,0,0,0,0|0,1,0]=3 1127 B15R1.6638 CN(CCc1ccccc1Cl)C(C)(C)C 269982a_100011215553_100011713703 [1,1,0,0,0,0|0,0,0]=2 1128 B15R1.6638 CN(CCc1ccccc1Cl)C(C)(C)C 270004a_100011215553_200011713468 [1,1,0,0,0,0|0,0,0]=2 1129 B15R1.6638 CN(CCc1ccccc1F)C(C)(C)C 269982a_100000232559_100000210625 [1,1,0,0,0,0|0,1,0]=3 1130 B15R1.6638 CN(CCc1ccccc1F)C(C)(C)C 269982a_100011215553_100011713696 [1,1,0,0,0,0|0,1,0]=3 1131 B15R1.6638 CN(CCc1ccccc1F)C(C)(C)C 34a_100000232559_100000210625 [1,1,0,0,0,0|0,1,0]=3 1132 B15R1.6638 CN(CCc1ccccc1O)C(C)(C)C 269982a_100011215553_100000722297 [1,1,0,0,0,0|1,0,0]=3 1133 B15R1.6638 C[C@@H](NCc1ccccc1Cl)C(C)(C)C 207a_100025703359_100000210073 [1,1,0,0,0,0|2,0,0]=4 1134 B15R1.6638 C[C@@H](NCc1ccccc1Cl)C(C)(C)C 2230a_100025703359_100000187162 [1,1,0,0,0,0|2,0,0]=4 1135 B15R1.6638 C[C@@H](NCc1ccccc1Cl)C(C)(C)C 270004a_100025703359_100000210073 [1,1,0,0,0,0|2,0,0]=4 1136 B15R1.6638 Cc1ccccc1CCC(=O)C(C)(C)C 1458a_106744555173_100011713688 [1,1,0,0,0,0|2,0,0]=4 1137 B15R1.6638 Cc1ccccc1CCN(C)C(C)(C)C 269982a_100011215553_100011713688 [1,1,0,0,0,0|1,0,0]=3 1138 B15R1.7696 C#CC(C)(C)NCCc1ccccc1Br 34a_100000054563_100012161201 [1,1,0,0,0,0|0,1,1]=4 1139 B15R1.7696 C#CC(C)(C)NCCc1ccccc1Br 34a_100000747383_100000038118 [1,1,0,0,0,0|0,1,1]=4 1140 B15R1.7696 C#CC(C)(C)NCCc1ccccc1C 34a_100000054563_100011713688 [1,1,0,0,0,0|1,0,1]=4 1141 B15R1.7696 C#CC(C)(C)NCCc1ccccc1C 34a_100000685071_100000038118 [1,1,0,0,0,0|1,0,1]=4 1142 B15R1.7696 C#CC(C)(C)NCCc1ccccc1Cl 270004a_100000054563_200011713468 [1,1,0,0,0,0|0,0,1]=3 1143 B15R1.7696 C#CC(C)(C)NCCc1ccccc1Cl 34a_100000054563_100011713703 [1,1,0,0,0,0|0,0,1]=3 1144 B15R1.7696 C#CC(C)(C)NCCc1ccccc1Cl 34a_100011207228_100000038118 [1,1,0,0,0,0|0,0,1]=3 1145 B15R1.7696 C#CC(C)(C)NCCc1ccccc1F 34a_100000054563_100000720011 [1,1,0,0,0,0|0,1,1]=4 1146 B15R1.7696 C#CC(C)(C)NCCc1ccccc1F 34a_100000185272_100000038118 [1,1,0,0,0,0|0,1,1]=4 1147 B15R1.7696 C#CC(C)(C)NCCc1ccccc1O 34a_100000054563_100000722297 [1,1,0,0,0,0|1,0,1]=4 1148 B15R1.7696 C#CC(C)(C)NCCc1ccccc1O 34a_100011207237_100000038118 [1,1,0,0,0,0|1,0,1]=4 1149 B15R1.7696 C#CC(C)(C)OCCc1ccccc1Cl 34a_100000189450_100011713703 [1,1,0,0,0,0|1,0,1]=4 1150 B15R1.7696 C#CC(C)(C)OCCc1ccccc1Cl 34a_100011215284_100000038118 [1,1,0,0,0,0|1,0,1]=4 1151 B15R1.7696 C#CC(C)(C)OCCc1ccccc1Cl 7a_100000189450_100011713703 [1,1,0,0,0,0|1,0,1]=4 1152 B15R1.7696 C#CC(C)(C)SCCc1ccccc1Cl 62a_100000038118_100011713703 [1,1,0,0,0,0|1,0,1]=4 1153 B15R1.7696 C#CC(C)(C)SCCc1ccccc1Cl 62a_100011713703_100000038118 [1,1,0,0,0,0|1,0,1]=4 1154 B15R1.7696 C=CC(C)(C)OCCc1ccccc1Cl 34a_100011215311_100011713703 [1,1,0,0,0,0|1,0,1]=4 1155 B15R1.7696 C=CC(C)(C)OCCc1ccccc1Cl 7a_100011215311_100011713703 [1,1,0,0,0,0|1,0,1]=4 1156 B15R1.7696 CC(C)(C#N)NCCc1ccccc1Br 34a_100000747383_100011162410 [1,1,0,0,0,0|0,1,1]=4 1157 B15R1.7696 CC(C)(C#N)NCCc1ccccc1Cl 34a_100011207228_100011162410 [1,1,0,0,0,0|0,0,1]=3 1158 B15R1.7696 CC(C)(C#N)NCCc1ccccc1F 34a_100000185272_100011162410 [1,1,0,0,0,0|0,1,1]=4 1159 B15R1.7696 CC(C)(C#N)NCCc1ccccc1O 34a_100011207237_100011162410 [1,1,0,0,0,0|1,0,1]=4 1160 B15R1.7696 CC(C)(C#N)OCCc1ccccc1Cl 34a_100011215284_100011162410 [1,1,0,0,0,0|1,0,1]=4 1161 B15R1.7696 CC(C)(C#N)OCCc1ccccc1Cl 34a_200015195151_100011713703 [1,1,0,0,0,0|1,0,1]=4 1162 B15R1.7696 CC(C)(C#N)OCCc1ccccc1Cl 7a_100011215284_100011162410 [1,1,0,0,0,0|1,0,1]=4 1163 B15R1.7696 CC(C)(C#N)SCCc1ccccc1Cl 62a_100011162410_100011713703 [1,1,0,0,0,0|1,0,1]=4 1164 B15R1.7696 CC(C)(C#N)SCCc1ccccc1Cl 62a_100011713703_100011162410 [1,1,0,0,0,0|1,0,1]=4 1165 B15R1.7696 CC(C)(CCl)COCc1ccccc1Cl 7a_100011217199_100000187162 [1,1,0,0,0,0|2,0,0]=4 1166 B15R1.7696 CC(C)(CCl)OCCc1ccccc1Br 7a_100000764493_100012161201 [1,1,0,0,0,0|1,1,0]=4 1167 B15R1.7696 CC(C)(CCl)OCCc1ccccc1Cl 7a_100000764493_100011713703 [1,1,0,0,0,0|1,0,0]=3 1168 B15R1.7696 CC(C)(CCl)OCCc1ccccc1F 7a_100000764493_100000720011 [1,1,0,0,0,0|1,1,0]=4 1169 B15R1.7696 CC(C)(CCl)OCCc1ccccc1O 7a_100000764493_100000722297 [1,1,0,0,0,0|2,0,0]=4 1170 B15R1.7696 CC(C)(CO)CNCc1ccccc1Cl 207a_100020635058_100000210073 [1,1,0,0,0,0|2,0,0]=4 1171 B15R1.7696 CC(C)(CO)CNCc1ccccc1Cl 2230a_100020635058_100000187162 [1,1,0,0,0,0|2,0,0]=4 1172 B15R1.7696 CC(C)(CO)CNCc1ccccc1Cl 26a_100020635058_100000210172 [1,1,0,0,0,0|2,0,0]=4 1173 B15R1.7696 CC(C)(CO)CNCc1ccccc1Cl 270004a_100020635058_100000210073 [1,1,0,0,0,0|2,0,0]=4 1174 B15R1.7696 CC(C)(CO)CNCc1ccccc1Cl 34a_100000174879_100009813988 [1,1,0,0,0,0|2,0,0]=4 1175 B15R1.7696 CC(C)(CO)COCc1ccccc1Cl 34a_100000210847_100009813988 [1,1,0,0,0,0|2,0,0]=4 1176 B15R1.7696 CC(C)(CO)COCc1ccccc1Cl 7a_100000210847_100009813988 [1,1,0,0,0,0|2,0,0]=4 1177 B15R1.7696 CC(C)(CO)CSCc1ccccc1Cl 62a_100000187162_100009813988 [1,1,0,0,0,0|2,0,0]=4 1178 B15R1.7696 CC(C)(CO)CSCc1ccccc1Cl 62a_100009813988_100000187162 [1,1,0,0,0,0|2,0,0]=4 1179 B15R1.7696 CC(C)(CO)NCCc1ccccc1Br 2230a_100000210608_100012161201 [1,1,0,0,0,0|0,1,0]=3 1180 B15R1.7696 CC(C)(CO)NCCc1ccccc1Cl 2230a_100000210608_100011713703 [1,1,0,0,0,0|0,0,0]=2 1181 B15R1.7696 CC(C)(CO)NCCc1ccccc1Cl 270004a_100000210608_200011713468 [1,1,0,0,0,0|0,0,0]=2 1182 B15R1.7696 CC(C)(CO)NCCc1ccccc1F 2230a_100000210608_100011713696 [1,1,0,0,0,0|0,1,0]=3 1183 B15R1.7696 CCC(C)(C)COCc1ccccc1Cl 7a_100000765029_100000187162 [1,1,0,0,0,0|2,0,0]=4 1184 B15R1.7696 CCC(C)(C)NCCc1ccccc1Br 2230a_100000211385_100012161201 [1,1,0,0,0,0|0,1,0]=3 1185 B15R1.7696 CCC(C)(C)NCCc1ccccc1C 2230a_100000211385_100011713688 [1,1,0,0,0,0|1,0,0]=3 1186 B15R1.7696 CCC(C)(C)NCCc1ccccc1Cl 2230a_100000211385_100011713703 [1,1,0,0,0,0|0,0,0]=2 1187 B15R1.7696 CCC(C)(C)NCCc1ccccc1Cl 270004a_100000211385_200011713468 [1,1,0,0,0,0|0,0,0]=2 1188 B15R1.7696 CCC(C)(C)NCCc1ccccc1F 2230a_100000211385_100011713696 [1,1,0,0,0,0|0,1,0]=3 1189 B15R1.7696 CCC(C)(C)OCCc1ccccc1Br 7a_100000210230_100012161201 [1,1,0,0,0,0|1,1,0]=4 1190 B15R1.7696 CCC(C)(C)OCCc1ccccc1Br 7a_100000731337_100000210677 [1,1,0,0,0,0|1,1,0]=4 1191 B15R1.7696 CCC(C)(C)OCCc1ccccc1C 7a_100000210230_100011713688 [1,1,0,0,0,0|2,0,0]=4 1192 B15R1.7696 CCC(C)(C)OCCc1ccccc1C 7a_100011220023_100000210677 [1,1,0,0,0,0|2,0,0]=4 1193 B15R1.7696 CCC(C)(C)OCCc1ccccc1Cl 7a_100000210230_100011713703 [1,1,0,0,0,0|1,0,0]=3 1194 B15R1.7696 CCC(C)(C)OCCc1ccccc1Cl 7a_100011215284_100000210677 [1,1,0,0,0,0|1,0,0]=3 1195 B15R1.7696 CCC(C)(C)OCCc1ccccc1F 7a_100000210230_100000720011 [1,1,0,0,0,0|1,1,0]=4 1196 B15R1.7696 CCC(C)(C)OCCc1ccccc1F 7a_100000753711_100000210677 [1,1,0,0,0,0|1,1,0]=4 1197 B15R1.7696 CCC(C)(C)OCCc1ccccc1I 7a_100010255290_100000210677 [1,1,0,0,0,0|1,1,0]=4 1198 B15R1.7696 CCC(C)(C)OCCc1ccccc1O 7a_100000210230_100000722297 [1,1,0,0,0,0|2,0,0]=4 1199 B15R1.7696 CCC(C)(C)SCCc1ccccc1Br 62a_100000032637_100012161201 [1,1,0,0,0,0|1,1,0]=4 1200 B15R1.7696 CCC(C)(C)SCCc1ccccc1Br 62a_100012161201_100000032637 [1,1,0,0,0,0|1,1,0]=4 1201 B15R1.7696 CCC(C)(C)SCCc1ccccc1C 62a_100000032637_100011713688 [1,1,0,0,0,0|2,0,0]=4 1202 B15R1.7696 CCC(C)(C)SCCc1ccccc1C 62a_100011713688_100000032637 [1,1,0,0,0,0|2,0,0]=4 1203 B15R1.7696 CCC(C)(C)SCCc1ccccc1Cl 62a_100000032637_100011713703 [1,1,0,0,0,0|1,0,0]=3 1204 B15R1.7696 CCC(C)(C)SCCc1ccccc1Cl 62a_100011713703_100000032637 [1,1,0,0,0,0|1,0,0]=3 1205 B15R1.7696 CCC(C)(C)SCCc1ccccc1F 62a_100000032637_100011713696 [1,1,0,0,0,0|1,1,0]=4 1206 B15R1.7696 CCC(C)(C)SCCc1ccccc1F 62a_100011713696_100000032637 [1,1,0,0,0,0|1,1,0]=4 1207 B15R1.7696 CCC(C)(C)SCCc1ccccc1O 62a_100000032637_100000722297 [1,1,0,0,0,0|2,0,0]=4 1208 B15R1.7696 CCC(C)(C)SCCc1ccccc1O 62a_100000722297_100000032637 [1,1,0,0,0,0|2,0,0]=4 1209 B15R1.7696 COC(C)(C)CNCc1ccccc1Cl 207a_100000763424_100000210073 [1,1,0,0,0,0|2,0,0]=4 1210 B15R1.7696 COC(C)(C)CNCc1ccccc1Cl 2230a_100000763424_100000187162 [1,1,0,0,0,0|2,0,0]=4 1211 B15R1.7696 COC(C)(C)CNCc1ccccc1Cl 26a_100000763424_100000210172 [1,1,0,0,0,0|2,0,0]=4 1212 B15R1.7696 COC(C)(C)CNCc1ccccc1Cl 270004a_100000763424_100000210073 [1,1,0,0,0,0|2,0,0]=4 1213 B15R1.7696 COC(C)(C)CNCc1ccccc1Cl 34a_100000174879_100000701081 [1,1,0,0,0,0|2,0,0]=4 1214 B15R1.7696 COC(C)(C)COCc1ccccc1Cl 34a_100000210847_100000701081 [1,1,0,0,0,0|2,0,0]=4 1215 B15R1.7696 COC(C)(C)CSCc1ccccc1Cl 62a_100000187162_100000701081 [1,1,0,0,0,0|2,0,0]=4 1216 B15R1.7696 COC(C)(C)CSCc1ccccc1Cl 62a_100000701081_100000187162 [1,1,0,0,0,0|2,0,0]=4 1217 B15R1.7696 CSC(C)(C)CNCc1ccccc1Cl 270004a_100000174879_100009845794 [1,1,0,0,0,0|2,0,0]=4 1218 B15R1.7696 Cc1ccccc1CCNC(C)(C)C#N 34a_100000685071_100011162410 [1,1,0,0,0,0|1,0,1]=4 1219 B15R1.7696 Cc1ccccc1CCNC(C)(C)CO 2230a_100000210608_100011713688 [1,1,0,0,0,0|1,0,0]=3 1220 B15R1.7696 Cc1ccccc1CCOC(C)(C)CCl 7a_100000764493_100011713688 [1,1,0,0,0,0|2,0,0]=4 1221 B15R1.8291 CC(C)(C)CCNc1c(cccc1Br)Cl 34a_100102946385_100000755188 [1,1,0,0,0,0|2,0,0]=4 1222 B15R1.8291 CC(C)(C)CCNc1c(cccc1Cl)Cl 34a_100000210028_100000755188 [1,1,0,0,0,0|2,0,0]=4 1223 B15R1.8291 CC(C)(C)CCNc1c(cccc1Cl)F 34a_100000760031_100000755188 [1,1,0,0,0,0|2,0,0]=4 1224 B15R1.8291 CC(C)(C)CCNc1c(cccc1Cl)O 34a_100012022510_100000755188 [1,1,0,0,0,0|2,0,0]=4 1225 B15R1.8291 CC(C)(C)CCOc1c(cccc1Br)Cl 34a_100010214474_100000755188 [1,1,0,0,0,0|2,0,0]=4 1226 B15R1.8291 CC(C)(C)CCOc1c(cccc1Br)Cl 7a_100010214474_100000755188 [1,1,0,0,0,0|2,0,0]=4 1227 B15R1.8291 CC(C)(C)CCOc1c(cccc1Cl)Cl 34a_100000211709_100000755188 [1,1,0,0,0,0|2,0,0]=4 1228 B15R1.8291 CC(C)(C)CCOc1c(cccc1Cl)Cl 7a_100000211709_100000755188 [1,1,0,0,0,0|2,0,0]=4 1229 B15R1.8291 CC(C)(C)CCOc1c(cccc1Cl)F 34a_100000694953_100000755188 [1,1,0,0,0,0|2,0,0]=4 1230 B15R1.8291 CC(C)(C)CCOc1c(cccc1Cl)F 7a_100000694953_100000755188 [1,1,0,0,0,0|2,0,0]=4 1231 B15R1.8291 CC(C)(C)CCOc1c(cccc1Cl)N 34a_100000754742_100000755188 [1,1,0,0,0,0|2,0,0]=4 1232 B15R1.8291 CC(C)(C)CCOc1c(cccc1I)Cl 34a_100010202889_100000755188 [1,1,0,0,0,0|2,0,0]=4 1233 B15R1.8291 CC(C)(C)CCOc1c(cccc1I)Cl 7a_100010202889_100000755188 [1,1,0,0,0,0|2,0,0]=4 1234 B15R1.8291 CC(C)(C)CCSc1c(cccc1Cl)N 62a_100000049713_100000755188 [1,1,0,0,0,0|2,0,0]=4 1235 B15R1.8291 CC(C)(C)CCSc1c(cccc1Cl)N 62a_100000755188_100000049713 [1,1,0,0,0,0|2,0,0]=4 1236 B15R1.8291 CC(C)(C)CCSc1c(cccc1Cl)O 62a_100000755188_100000050174 [1,1,0,0,0,0|2,0,0]=4 1237 B15R1.8291 CC(C)(C)CNCc1c(cccc1Br)Cl 207a_100000743828_100011249081 [1,1,0,0,0,0|2,0,0]=4 1238 B15R1.8291 CC(C)(C)CNCc1c(cccc1Br)Cl 2230a_100000743828_100010138402 [1,1,0,0,0,0|2,0,0]=4 1239 B15R1.8291 CC(C)(C)CNCc1c(cccc1Br)Cl 26a_100000743828_100010214474 [1,1,0,0,0,0|2,0,0]=4 1240 B15R1.8291 CC(C)(C)CNCc1c(cccc1Br)Cl 270004a_100000743828_100011249081 [1,1,0,0,0,0|2,0,0]=4 1241 B15R1.8291 CC(C)(C)CNCc1c(cccc1Cl)Cl 207a_100000743828_100000189306 [1,1,0,0,0,0|2,0,0]=4 1242 B15R1.8291 CC(C)(C)CNCc1c(cccc1Cl)Cl 2230a_100000743828_100000187851 [1,1,0,0,0,0|2,0,0]=4 1243 B15R1.8291 CC(C)(C)CNCc1c(cccc1Cl)Cl 26a_100000743828_100000211709 [1,1,0,0,0,0|2,0,0]=4 1244 B15R1.8291 CC(C)(C)CNCc1c(cccc1Cl)Cl 270004a_100000174884_100011204126 [1,1,0,0,0,0|2,0,0]=4 1245 B15R1.8291 CC(C)(C)CNCc1c(cccc1Cl)Cl 270004a_100000743828_100000189306 [1,1,0,0,0,0|2,0,0]=4 1246 B15R1.8291 CC(C)(C)CNCc1c(cccc1Cl)Cl 34a_100000174884_100011219605 [1,1,0,0,0,0|2,0,0]=4 1247 B15R1.8291 CC(C)(C)CNCc1c(cccc1Cl)F 207a_100000743828_100000210083 [1,1,0,0,0,0|2,0,0]=4 1248 B15R1.8291 CC(C)(C)CNCc1c(cccc1Cl)F 2230a_100000743828_100000187852 [1,1,0,0,0,0|2,0,0]=4 1249 B15R1.8291 CC(C)(C)CNCc1c(cccc1Cl)F 270004a_100000174883_100011204126 [1,1,0,0,0,0|2,0,0]=4 1250 B15R1.8291 CC(C)(C)CNCc1c(cccc1Cl)F 270004a_100000743828_100000210083 [1,1,0,0,0,0|2,0,0]=4 1251 B15R1.8291 CC(C)(C)CNCc1c(cccc1Cl)F 34a_100000174883_100011219605 [1,1,0,0,0,0|2,0,0]=4 1252 B15R1.8291 CC(C)(C)CNCc1c(cccc1I)Cl 207a_100000743828_100010147682 [1,1,0,0,0,0|2,0,0]=4 1253 B15R1.8291 CC(C)(C)CNCc1c(cccc1I)Cl 270004a_100000743828_100010147682 [1,1,0,0,0,0|2,0,0]=4 1254 B15R1.8291 CC(C)(C)COCc1c(cccc1Cl)Cl 34a_100000215722_100011219605 [1,1,0,0,0,0|2,0,0]=4 1255 B15R1.8291 CC(C)(C)COCc1c(cccc1Cl)F 34a_100000215723_100011219605 [1,1,0,0,0,0|2,0,0]=4 1256 B15R1.8291 CC(C)(C)COCc1c(cccc1Cl)N 34a_100011916388_100011219605 [1,1,0,0,0,0|2,0,0]=4 1257 B15R1.8291 CC(C)(C)CSCc1c(cccc1Cl)F 62a_100000187852_100011219605 [1,1,0,0,0,0|2,0,0]=4 1258 B15R1.8291 CC(C)(C)CSCc1c(cccc1Cl)F 62a_100011219605_100000187852 [1,1,0,0,0,0|2,0,0]=4 1259 B15R1.8291 CC(C)(C)NCCc1c(cccc1Cl)Cl 2230a_100000715429_100012161200 [1,1,0,0,0,0|0,0,0]=2 1260 B15R1.8291 CC(C)(C)NCCc1c(cccc1Cl)Cl 34a_100032004868_100000210625 [1,1,0,0,0,0|0,0,0]=2 1261 B15R1.8291 CC(C)(C)NCCc1c(cccc1Cl)F 34a_100000688150_100000210625 [1,1,0,0,0,0|0,0,0]=2 1262 B15R1.8291 CC(C)(C)NN=Cc1c(cccc1Br)Cl 4a_100000725372_100011249081 [1,1,0,0,0,0|1,0,1]=4 1263 B15R1.8291 CC(C)(C)NN=Cc1c(cccc1Cl)Cl 4a_100000725372_100000189306 [1,1,0,0,0,0|1,0,1]=4 1264 B15R1.8291 CC(C)(C)NN=Cc1c(cccc1Cl)F 4a_100000725372_100000210083 [1,1,0,0,0,0|1,0,1]=4 1265 B15R1.8291 CC(C)(C)NN=Cc1c(cccc1Cl)O 4a_100000725372_100000741911 [1,1,0,0,0,0|1,0,1]=4 1266 B15R1.8291 CC(C)(C)NN=Cc1c(cccc1I)Cl 4a_100000725372_100010147682 [1,1,0,0,0,0|1,0,1]=4 1267 B15R1.8291 CC(C)(C)OCCc1c(cccc1Cl)Cl 34a_100011934077_100000210625 [1,1,0,0,0,0|1,0,0]=3 1268 B15R1.8291 CC(C)(C)OCCc1c(cccc1Cl)Cl 34a_100015890283_100012161200 [1,1,0,0,0,0|1,0,0]=3 1269 B15R1.8291 CC(C)(C)OCCc1c(cccc1Cl)Cl 7a_100015890283_100012161200 [1,1,0,0,0,0|1,0,0]=3 1270 B15R1.8291 CC(C)(C)OCCc1c(cccc1Cl)F 34a_100011273940_100000210625 [1,1,0,0,0,0|1,0,0]=3 1271 B15R1.8291 CC(C)(C)OCCc1c(cccc1F)F 34a_100011975733_100000210625 [1,1,0,0,0,0|1,1,0]=4 1272 B15R1.8291 Cc1cccc(c1C=NNC(C)(C)C)Cl 4a_100000725372_100000041122 [1,1,0,0,0,0|1,0,1]=4 1273 B15R1.8291 Cc1cccc(c1CNCC(C)(C)C)Cl 207a_100000743828_100000041122 [1,1,0,0,0,0|2,0,0]=4 1274 B15R1.8291 Cc1cccc(c1CNCC(C)(C)C)Cl 270004a_100000743828_100000041122 [1,1,0,0,0,0|2,0,0]=4 1275 B15R1.8291 Cc1cccc(c1COCC(C)(C)C)Cl 34a_100000082531_100011219605 [1,1,0,0,0,0|2,0,0]=4 1276 B15R1.8291 Cc1cccc(c1NCCC(C)(C)C)Cl 34a_100000756524_100000755188 [1,1,0,0,0,0|2,0,0]=4 1277 B15R1.8291 Cc1cccc(c1OCCC(C)(C)C)Cl 34a_100000033731_100000755188 [1,1,0,0,0,0|2,0,0]=4 1278 B15R1.8291 Cc1cccc(c1OCCC(C)(C)C)Cl 7a_100000033731_100000755188 [1,1,0,0,0,0|2,0,0]=4 1279 B15R1.8410 CC(C)(C)CCNc1ccc(cc1Cl)Br 34a_100000211467_100000755188 [1,1,0,0,0,0|2,0,0]=4 1280 B15R1.8410 CC(C)(C)CCNc1ccc(cc1Cl)Cl 34a_100000185861_100000755188 [1,1,0,0,0,0|2,0,0]=4 1281 B15R1.8410 CC(C)(C)CCNc1ccc(cc1Cl)F 34a_100000212003_100000755188 [1,1,0,0,0,0|2,0,0]=4 1282 B15R1.8410 CC(C)(C)CCNc1ccc(cc1Cl)I 34a_100011218065_100000755188 [1,1,0,0,0,0|2,0,0]=4 1283 B15R1.8410 CC(C)(C)CCNc1ccc(cc1Cl)O 34a_100011215599_100000755188 [1,1,0,0,0,0|2,0,0]=4 1284 B15R1.8410 CC(C)(C)CCOc1ccc(cc1Cl)Br 34a_100000186472_100000755188 [1,1,0,0,0,0|2,0,0]=4 1285 B15R1.8410 CC(C)(C)CCOc1ccc(cc1Cl)Br 7a_100000186472_100000755188 [1,1,0,0,0,0|2,0,0]=4 1286 B15R1.8410 CC(C)(C)CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000755188 [1,1,0,0,0,0|2,0,0]=4 1287 B15R1.8410 CC(C)(C)CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000755188 [1,1,0,0,0,0|2,0,0]=4 1288 B15R1.8410 CC(C)(C)CCOc1ccc(cc1Cl)F 34a_100000212004_100000755188 [1,1,0,0,0,0|2,0,0]=4 1289 B15R1.8410 CC(C)(C)CCOc1ccc(cc1Cl)F 7a_100000212004_100000755188 [1,1,0,0,0,0|2,0,0]=4 1290 B15R1.8410 CC(C)(C)CCOc1ccc(cc1Cl)I 34a_100012360047_100000755188 [1,1,0,0,0,0|2,0,0]=4 1291 B15R1.8410 CC(C)(C)CCOc1ccc(cc1Cl)I 7a_100012360047_100000755188 [1,1,0,0,0,0|2,0,0]=4 1292 B15R1.8410 CC(C)(C)CCOc1ccc(cc1Cl)N 34a_100000744943_100000755188 [1,1,0,0,0,0|2,0,0]=4 1293 B15R1.8410 CC(C)(C)CCOc1ccc(cc1Cl)N 7a_100000744943_100000755188 [1,1,0,0,0,0|2,0,0]=4 1294 B15R1.8410 CC(C)(C)CCSc1ccc(cc1Cl)N 62a_100000755188_100000761885 [1,1,0,0,0,0|2,0,0]=4 1295 B15R1.8410 CC(C)(C)CCSc1ccc(cc1Cl)N 62a_100000761885_100000755188 [1,1,0,0,0,0|2,0,0]=4 1296 B15R1.8410 CC(C)(C)CCSc1ccc(cc1Cl)O 62a_100000047559_100000755188 [1,1,0,0,0,0|2,0,0]=4 1297 B15R1.8410 CC(C)(C)CCSc1ccc(cc1Cl)O 62a_100000755188_100000047559 [1,1,0,0,0,0|2,0,0]=4 1298 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)Br 207a_100000743828_100000764164 [1,1,0,0,0,0|2,0,0]=4 1299 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)Br 2230a_100000743828_100011740631 [1,1,0,0,0,0|2,0,0]=4 1300 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)Br 26a_100000743828_100000186472 [1,1,0,0,0,0|2,0,0]=4 1301 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)Br 270004a_100000743828_100000764164 [1,1,0,0,0,0|2,0,0]=4 1302 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)Br 270004a_100020628970_100011204126 [1,1,0,0,0,0|2,0,0]=4 1303 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)Br 34a_100020628970_100011219605 [1,1,0,0,0,0|2,0,0]=4 1304 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)Cl 207a_100000743828_100000188887 [1,1,0,0,0,0|2,0,0]=4 1305 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)Cl 2230a_100000743828_100000188473 [1,1,0,0,0,0|2,0,0]=4 1306 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)Cl 26a_100000743828_100015191787 [1,1,0,0,0,0|2,0,0]=4 1307 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)Cl 270004a_100000174880_100011204126 [1,1,0,0,0,0|2,0,0]=4 1308 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)Cl 270004a_100000743828_100000188887 [1,1,0,0,0,0|2,0,0]=4 1309 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)Cl 34a_100000174880_100011219605 [1,1,0,0,0,0|2,0,0]=4 1310 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)F 207a_100000743828_100000752949 [1,1,0,0,0,0|2,0,0]=4 1311 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)F 2230a_100000743828_100011216360 [1,1,0,0,0,0|2,0,0]=4 1312 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)F 26a_100000743828_100000212004 [1,1,0,0,0,0|2,0,0]=4 1313 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)F 270004a_100000174946_100011204126 [1,1,0,0,0,0|2,0,0]=4 1314 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)F 270004a_100000743828_100000752949 [1,1,0,0,0,0|2,0,0]=4 1315 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)F 34a_100000174946_100011219605 [1,1,0,0,0,0|2,0,0]=4 1316 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)I 207a_100000743828_100000727542 [1,1,0,0,0,0|2,0,0]=4 1317 B15R1.8410 CC(C)(C)CNCc1ccc(cc1Cl)O 34a_200161156549_100011219605 [1,1,0,0,0,0|2,0,0]=4 1318 B15R1.8410 CC(C)(C)COCc1ccc(cc1Cl)Br 34a_100000756401_100011219605 [1,1,0,0,0,0|2,0,0]=4 1319 B15R1.8410 CC(C)(C)COCc1ccc(cc1Cl)Cl 34a_100000215721_100011219605 [1,1,0,0,0,0|2,0,0]=4 1320 B15R1.8410 CC(C)(C)COCc1ccc(cc1Cl)F 34a_100011219954_100011219605 [1,1,0,0,0,0|2,0,0]=4 1321 B15R1.8410 CC(C)(C)COCc1ccc(cc1Cl)N 34a_100000689119_100011219605 [1,1,0,0,0,0|2,0,0]=4 1322 B15R1.8410 CC(C)(C)CSCc1ccc(cc1Cl)F 62a_100000187853_100011219605 [1,1,0,0,0,0|2,0,0]=4 1323 B15R1.8410 CC(C)(C)CSCc1ccc(cc1Cl)F 62a_100011219605_100000187853 [1,1,0,0,0,0|2,0,0]=4 1324 B15R1.8410 CC(C)(C)NCCc1ccc(cc1Br)Cl 2230a_100000715429_200012945151 [1,1,0,0,0,0|0,1,0]=3 1325 B15R1.8410 CC(C)(C)NCCc1ccc(cc1Cl)Cl 2230a_100000715429_200012161198 [1,1,0,0,0,0|0,0,0]=2 1326 B15R1.8410 CC(C)(C)NCCc1ccc(cc1Cl)Cl 34a_100000210994_100000210625 [1,1,0,0,0,0|0,0,0]=2 1327 B15R1.8410 CC(C)(C)NCCc1ccc(cc1F)Cl 34a_103496529009_100000210625 [1,1,0,0,0,0|0,1,0]=3 1328 B15R1.8410 CC(C)(C)NCCc1ccc(cc1F)F 34a_100000754870_100000210625 [1,1,0,0,0,0|0,1,0]=3 1329 B15R1.8410 CC(C)(C)NN=Cc1ccc(cc1Cl)Br 4a_100000725372_100000764164 [1,1,0,0,0,0|1,0,1]=4 1330 B15R1.8410 CC(C)(C)NN=Cc1ccc(cc1Cl)Cl 4a_100000725372_100000188887 [1,1,0,0,0,0|1,0,1]=4 1331 B15R1.8410 CC(C)(C)NN=Cc1ccc(cc1Cl)F 4a_100000725372_100000752949 [1,1,0,0,0,0|1,0,1]=4 1332 B15R1.8410 CC(C)(C)NN=Cc1ccc(cc1Cl)I 4a_100000725372_100000727542 [1,1,0,0,0,0|1,0,1]=4 1333 B15R1.8410 CC(C)(C)NN=Cc1ccc(cc1Cl)O 4a_100000725372_100011215651 [1,1,0,0,0,0|1,0,1]=4 1334 B15R1.8410 CC(C)(C)OCCc1ccc(cc1Br)Cl 34a_100015890283_200012945151 [1,1,0,0,0,0|1,1,0]=4 1335 B15R1.8410 CC(C)(C)OCCc1ccc(cc1Br)Cl 7a_100015890283_200012945151 [1,1,0,0,0,0|1,1,0]=4 1336 B15R1.8410 CC(C)(C)OCCc1ccc(cc1Cl)Br 34a_100013445822_100000210625 [1,1,0,0,0,0|1,0,0]=3 1337 B15R1.8410 CC(C)(C)OCCc1ccc(cc1Cl)Cl 34a_100011215701_100000210625 [1,1,0,0,0,0|1,0,0]=3 1338 B15R1.8410 CC(C)(C)OCCc1ccc(cc1Cl)Cl 34a_100015890283_200012161198 [1,1,0,0,0,0|1,0,0]=3 1339 B15R1.8410 CC(C)(C)OCCc1ccc(cc1Cl)Cl 7a_100015890283_200012161198 [1,1,0,0,0,0|1,0,0]=3 1340 B15R1.8410 CC(C)(C)OCCc1ccc(cc1Cl)F 34a_100011962860_100000210625 [1,1,0,0,0,0|1,0,0]=3 1341 B15R1.8410 CC(C)(C)OCCc1ccc(cc1F)Br 34a_100011962869_100000210625 [1,1,0,0,0,0|1,1,0]=4 1342 B15R1.8410 CC(C)(C)OCCc1ccc(cc1F)F 34a_100000697962_100000210625 [1,1,0,0,0,0|1,1,0]=4 1343 B15R1.8410 Cc1ccc(c(c1)C)CCNC(C)(C)C 34a_100000745621_100000210625 [1,1,0,0,0,0|1,0,0]=3 1344 B15R1.8410 Cc1ccc(c(c1)Cl)C=NNC(C)(C)C 4a_100000725372_100011935181 [1,1,0,0,0,0|1,0,1]=4 1345 B15R1.8410 Cc1ccc(c(c1)Cl)CNCC(C)(C)C 207a_100000743828_100011935181 [1,1,0,0,0,0|2,0,0]=4 1346 B15R1.8410 Cc1ccc(c(c1)Cl)CNCC(C)(C)C 2230a_100000743828_100012349684 [1,1,0,0,0,0|2,0,0]=4 1347 B15R1.8410 Cc1ccc(c(c1)Cl)CNCC(C)(C)C 26a_100000743828_100000749699 [1,1,0,0,0,0|2,0,0]=4 1348 B15R1.8410 Cc1ccc(c(c1)Cl)CNCC(C)(C)C 270004a_100000743828_100011935181 [1,1,0,0,0,0|2,0,0]=4 1349 B15R1.8410 Cc1ccc(c(c1)Cl)CNCC(C)(C)C 270004a_100011997539_100011204126 [1,1,0,0,0,0|2,0,0]=4 1350 B15R1.8410 Cc1ccc(c(c1)Cl)CNCC(C)(C)C 34a_100011997539_100011219605 [1,1,0,0,0,0|2,0,0]=4 1351 B15R1.8410 Cc1ccc(c(c1)Cl)COCC(C)(C)C 34a_100000720314_100011219605 [1,1,0,0,0,0|2,0,0]=4 1352 B15R1.8410 Cc1ccc(c(c1)Cl)CSCC(C)(C)C 62a_100011219605_100012349684 [1,1,0,0,0,0|2,0,0]=4 1353 B15R1.8410 Cc1ccc(c(c1)Cl)CSCC(C)(C)C 62a_100012349684_100011219605 [1,1,0,0,0,0|2,0,0]=4 1354 B15R1.8410 Cc1ccc(c(c1)Cl)NCCC(C)(C)C 34a_100000210522_100000755188 [1,1,0,0,0,0|2,0,0]=4 1355 B15R1.8410 Cc1ccc(c(c1)Cl)OCCC(C)(C)C 34a_100000749699_100000755188 [1,1,0,0,0,0|2,0,0]=4 1356 B15R1.8410 Cc1ccc(c(c1)Cl)OCCC(C)(C)C 7a_100000749699_100000755188 [1,1,0,0,0,0|2,0,0]=4 1357 B15R1.8449 CC(C)(C)CCNc1cc(ccc1Cl)Br 34a_100000750497_100000755188 [1,1,0,0,0,0|2,0,0]=4 1358 B15R1.8449 CC(C)(C)CCNc1cc(ccc1Cl)Cl 34a_100000184485_100000755188 [1,1,0,0,0,0|2,0,0]=4 1359 B15R1.8449 CC(C)(C)CCNc1cc(ccc1Cl)F 34a_100000751338_100000755188 [1,1,0,0,0,0|2,0,0]=4 1360 B15R1.8449 CC(C)(C)CCNc1cc(ccc1Cl)I 34a_200000761891_100000755188 [1,1,0,0,0,0|2,0,0]=4 1361 B15R1.8449 CC(C)(C)CCNc1cc(ccc1Cl)O 34a_100011934297_100000755188 [1,1,0,0,0,0|2,0,0]=4 1362 B15R1.8449 CC(C)(C)CCOc1cc(ccc1Cl)Br 34a_100000738945_100000755188 [1,1,0,0,0,0|2,0,0]=4 1363 B15R1.8449 CC(C)(C)CCOc1cc(ccc1Cl)Br 7a_100000738945_100000755188 [1,1,0,0,0,0|2,0,0]=4 1364 B15R1.8449 CC(C)(C)CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000755188 [1,1,0,0,0,0|2,0,0]=4 1365 B15R1.8449 CC(C)(C)CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000755188 [1,1,0,0,0,0|2,0,0]=4 1366 B15R1.8449 CC(C)(C)CCOc1cc(ccc1Cl)F 34a_100000692107_100000755188 [1,1,0,0,0,0|2,0,0]=4 1367 B15R1.8449 CC(C)(C)CCOc1cc(ccc1Cl)F 7a_100000692107_100000755188 [1,1,0,0,0,0|2,0,0]=4 1368 B15R1.8449 CC(C)(C)CCOc1cc(ccc1Cl)I 34a_100011356854_100000755188 [1,1,0,0,0,0|2,0,0]=4 1369 B15R1.8449 CC(C)(C)CCOc1cc(ccc1Cl)I 7a_100011356854_100000755188 [1,1,0,0,0,0|2,0,0]=4 1370 B15R1.8449 CC(C)(C)CCOc1cc(ccc1Cl)N 34a_100011934209_100000755188 [1,1,0,0,0,0|2,0,0]=4 1371 B15R1.8449 CC(C)(C)CCSc1cc(ccc1Cl)N 62a_100000755188_100012360549 [1,1,0,0,0,0|2,0,0]=4 1372 B15R1.8449 CC(C)(C)CCSc1cc(ccc1Cl)N 62a_100012360549_100000755188 [1,1,0,0,0,0|2,0,0]=4 1373 B15R1.8449 CC(C)(C)CCSc1cc(ccc1Cl)O 62a_100000049588_100000755188 [1,1,0,0,0,0|2,0,0]=4 1374 B15R1.8449 CC(C)(C)CCSc1cc(ccc1Cl)O 62a_100000755188_100000049588 [1,1,0,0,0,0|2,0,0]=4 1375 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)Br 207a_100000743828_100000746309 [1,1,0,0,0,0|2,0,0]=4 1376 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)Br 2230a_100000743828_100000763347 [1,1,0,0,0,0|2,0,0]=4 1377 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)Br 26a_100000743828_100000738945 [1,1,0,0,0,0|2,0,0]=4 1378 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)Br 270004a_100000743828_100000746309 [1,1,0,0,0,0|2,0,0]=4 1379 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)Br 270004a_100025772652_100011204126 [1,1,0,0,0,0|2,0,0]=4 1380 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)Br 34a_100025772652_100011219605 [1,1,0,0,0,0|2,0,0]=4 1381 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)Cl 207a_100000743828_100000746308 [1,1,0,0,0,0|2,0,0]=4 1382 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)Cl 2230a_100000743828_100000756322 [1,1,0,0,0,0|2,0,0]=4 1383 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)Cl 26a_100000743828_100000211422 [1,1,0,0,0,0|2,0,0]=4 1384 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)Cl 270004a_100000743828_100000746308 [1,1,0,0,0,0|2,0,0]=4 1385 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)Cl 270004a_100102946428_100011204126 [1,1,0,0,0,0|2,0,0]=4 1386 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)Cl 34a_100102946428_100011219605 [1,1,0,0,0,0|2,0,0]=4 1387 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)F 207a_100000743828_100011218309 [1,1,0,0,0,0|2,0,0]=4 1388 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)F 2230a_100000743828_100000709952 [1,1,0,0,0,0|2,0,0]=4 1389 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)F 26a_100000743828_100000692107 [1,1,0,0,0,0|2,0,0]=4 1390 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)F 270004a_100000743828_100011218309 [1,1,0,0,0,0|2,0,0]=4 1391 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)F 270004a_100011830483_100011204126 [1,1,0,0,0,0|2,0,0]=4 1392 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)F 34a_100011830483_100011219605 [1,1,0,0,0,0|2,0,0]=4 1393 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)I 207a_100000743828_100010254384 [1,1,0,0,0,0|2,0,0]=4 1394 B15R1.8449 CC(C)(C)CNCc1cc(ccc1Cl)I 2230a_100000743828_100010188191 [1,1,0,0,0,0|2,0,0]=4 1395 B15R1.8449 CC(C)(C)COCc1cc(ccc1Cl)Br 34a_100011215897_100011219605 [1,1,0,0,0,0|2,0,0]=4 1396 B15R1.8449 CC(C)(C)COCc1cc(ccc1Cl)Cl 34a_100000698905_100011219605 [1,1,0,0,0,0|2,0,0]=4 1397 B15R1.8449 CC(C)(C)COCc1cc(ccc1Cl)F 34a_100011218361_100011219605 [1,1,0,0,0,0|2,0,0]=4 1398 B15R1.8449 CC(C)(C)COCc1cc(ccc1Cl)I 34a_100010128486_100011219605 [1,1,0,0,0,0|2,0,0]=4 1399 B15R1.8449 CC(C)(C)COCc1cc(ccc1Cl)N 34a_100011273577_100011219605 [1,1,0,0,0,0|2,0,0]=4 1400 B15R1.8449 CC(C)(C)CSCc1cc(ccc1Cl)F 62a_100000709952_100011219605 [1,1,0,0,0,0|2,0,0]=4 1401 B15R1.8449 CC(C)(C)CSCc1cc(ccc1Cl)F 62a_100011219605_100000709952 [1,1,0,0,0,0|2,0,0]=4 1402 B15R1.8449 CC(C)(C)NCCc1cc(ccc1Cl)Cl 34a_100000705354_100000210625 [1,1,0,0,0,0|0,0,0]=2 1403 B15R1.8449 CC(C)(C)NCCc1cc(ccc1F)Cl 34a_200011997525_100000210625 [1,1,0,0,0,0|0,1,0]=3 1404 B15R1.8449 CC(C)(C)NCCc1cc(ccc1F)F 2230a_100000715429_100011755056 [1,1,0,0,0,0|0,1,0]=3 1405 B15R1.8449 CC(C)(C)NN=Cc1cc(ccc1Cl)Br 4a_100000725372_100000746309 [1,1,0,0,0,0|1,0,1]=4 1406 B15R1.8449 CC(C)(C)NN=Cc1cc(ccc1Cl)Cl 4a_100000725372_100000746308 [1,1,0,0,0,0|1,0,1]=4 1407 B15R1.8449 CC(C)(C)NN=Cc1cc(ccc1Cl)F 4a_100000725372_100011218309 [1,1,0,0,0,0|1,0,1]=4 1408 B15R1.8449 CC(C)(C)NN=Cc1cc(ccc1Cl)I 4a_100000725372_100010254384 [1,1,0,0,0,0|1,0,1]=4 1409 B15R1.8449 CC(C)(C)NN=Cc1cc(ccc1Cl)O 4a_100000725372_100000050362 [1,1,0,0,0,0|1,0,1]=4 1410 B15R1.8449 CC(C)(C)OCCc1cc(ccc1Br)Cl 34a_100012426913_100000210625 [1,1,0,0,0,0|1,1,0]=4 1411 B15R1.8449 CC(C)(C)OCCc1cc(ccc1Cl)Cl 34a_100011754359_100000210625 [1,1,0,0,0,0|1,0,0]=3 1412 B15R1.8449 CC(C)(C)OCCc1cc(ccc1F)F 34a_100011755048_100000210625 [1,1,0,0,0,0|1,1,0]=4 1413 B15R1.8449 CC(C)(C)OCCc1cc(ccc1F)F 34a_100015890283_100011755056 [1,1,0,0,0,0|1,1,0]=4 1414 B15R1.8449 CC(C)(C)OCCc1cc(ccc1F)F 7a_100015890283_100011755056 [1,1,0,0,0,0|1,1,0]=4 1415 B15R1.8449 CC(C)(C)SCCc1cc(ccc1F)F 62a_100000211941_100011755056 [1,1,0,0,0,0|1,1,0]=4 1416 B15R1.8449 CC(C)(C)SCCc1cc(ccc1F)F 62a_100011755056_100000211941 [1,1,0,0,0,0|1,1,0]=4 1417 B15R1.8449 Cc1ccc(c(c1)C=NNC(C)(C)C)Cl 4a_100000725372_100011551332 [1,1,0,0,0,0|1,0,1]=4 1418 B15R1.8449 Cc1ccc(c(c1)CCNC(C)(C)C)C 34a_200011485678_100000210625 [1,1,0,0,0,0|1,0,0]=3 1419 B15R1.8449 Cc1ccc(c(c1)CCOC(C)(C)C)C 34a_100011694955_100000210625 [1,1,0,0,0,0|2,0,0]=4 1420 B15R1.8449 Cc1ccc(c(c1)CNCC(C)(C)C)Cl 207a_100000743828_100011551332 [1,1,0,0,0,0|2,0,0]=4 1421 B15R1.8449 Cc1ccc(c(c1)CNCC(C)(C)C)Cl 2230a_100000743828_100009871730 [1,1,0,0,0,0|2,0,0]=4 1422 B15R1.8449 Cc1ccc(c(c1)CNCC(C)(C)C)Cl 26a_100000743828_100000211493 [1,1,0,0,0,0|2,0,0]=4 1423 B15R1.8449 Cc1ccc(c(c1)CNCC(C)(C)C)Cl 270004a_100000743828_100011551332 [1,1,0,0,0,0|2,0,0]=4 1424 B15R1.8449 Cc1ccc(c(c1)CNCC(C)(C)C)Cl 270004a_100025705715_100011204126 [1,1,0,0,0,0|2,0,0]=4 1425 B15R1.8449 Cc1ccc(c(c1)CNCC(C)(C)C)Cl 34a_100025705715_100011219605 [1,1,0,0,0,0|2,0,0]=4 1426 B15R1.8449 Cc1ccc(c(c1)COCC(C)(C)C)Cl 34a_100009878994_100011219605 [1,1,0,0,0,0|2,0,0]=4 1427 B15R1.8449 Cc1ccc(c(c1)CSCC(C)(C)C)Cl 62a_100009871730_100011219605 [1,1,0,0,0,0|2,0,0]=4 1428 B15R1.8449 Cc1ccc(c(c1)CSCC(C)(C)C)Cl 62a_100011219605_100009871730 [1,1,0,0,0,0|2,0,0]=4 1429 B15R1.8449 Cc1ccc(c(c1)NCCC(C)(C)C)Cl 34a_100011215360_100000755188 [1,1,0,0,0,0|2,0,0]=4 1430 B15R1.8449 Cc1ccc(c(c1)OCCC(C)(C)C)Cl 34a_100000211493_100000755188 [1,1,0,0,0,0|2,0,0]=4 1431 B15R1.8449 Cc1ccc(c(c1)OCCC(C)(C)C)Cl 7a_100000211493_100000755188 [1,1,0,0,0,0|2,0,0]=4 1432 B15R1.311 C#CC(C)(C)NCC(C)c1ccccc1 270004a_100000054563_100000212034 [1,1,0,0,0,0|1,0,1]=4 1433 B15R1.311 C#CC(C)(C)NCC(C)c1ccccc1 34a_100000054563_100000756946 [1,1,0,0,0,0|1,0,1]=4 1434 B15R1.311 C#CC(C)(C)NCC(C)c1ccccc1 34a_100000701038_100000038118 [1,1,0,0,0,0|1,0,1]=4 1435 B15R1.311 C#CC(C)(C)NCC(O)c1ccccc1 34a_100000054563_100000185958 [1,1,0,0,0,0|0,0,1]=3 1436 B15R1.311 C#CC(C)(C)NC[C@@H](O)c1ccccc1 34a_100000054563_100011933945 [1,1,0,0,0,0|0,0,1]=3 1437 B15R1.311 C#CC(C)(C)OCC(O)c1ccccc1 34a_100000189450_100000185958 [1,1,0,0,0,0|1,0,1]=4 1438 B15R1.311 C#CC(C)(C)OCC(O)c1ccccc1 7a_100000189450_100000185958 [1,1,0,0,0,0|1,0,1]=4 1439 B15R1.311 C#CC(C)(C)OC[C@@H](O)c1ccccc1 34a_100000189450_100011933945 [1,1,0,0,0,0|1,0,1]=4 1440 B15R1.311 C#CC(C)(C)OC[C@@H](O)c1ccccc1 7a_100000189450_100011933945 [1,1,0,0,0,0|1,0,1]=4 1441 B15R1.311 C#CC(C)(C)SCC(O)c1ccccc1 62a_100000038118_100000185958 [1,1,0,0,0,0|1,0,1]=4 1442 B15R1.311 C#CC(C)(C)SCC(O)c1ccccc1 62a_100000185958_100000038118 [1,1,0,0,0,0|1,0,1]=4 1443 B15R1.311 C#CC(C)(C)SC[C@@H](O)c1ccccc1 62a_100000038118_100011933945 [1,1,0,0,0,0|1,0,1]=4 1444 B15R1.311 C#CC(C)(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000038118 [1,1,0,0,0,0|1,0,1]=4 1445 B15R1.311 C=CC(C)(C)OCC(O)c1ccccc1 34a_100011215311_100000185958 [1,1,0,0,0,0|1,0,1]=4 1446 B15R1.311 C=CC(C)(C)OCC(O)c1ccccc1 7a_100011215311_100000185958 [1,1,0,0,0,0|1,0,1]=4 1447 B15R1.311 C=CC(C)(C)OC[C@@H](O)c1ccccc1 34a_100011215311_100011933945 [1,1,0,0,0,0|1,0,1]=4 1448 B15R1.311 C=CC(C)(C)OC[C@@H](O)c1ccccc1 7a_100011215311_100011933945 [1,1,0,0,0,0|1,0,1]=4 1449 B15R1.311 CC(C)(C#N)OCC(O)c1ccccc1 34a_200015195151_100000185958 [1,1,0,0,0,0|1,0,1]=4 1450 B15R1.311 CC(C)(C#N)OC[C@@H](O)c1ccccc1 34a_200015195151_100011933945 [1,1,0,0,0,0|1,0,1]=4 1451 B15R1.311 CC(C)(C#N)SCC(O)c1ccccc1 62a_100000185958_100011162410 [1,1,0,0,0,0|1,0,1]=4 1452 B15R1.311 CC(C)(C#N)SCC(O)c1ccccc1 62a_100011162410_100000185958 [1,1,0,0,0,0|1,0,1]=4 1453 B15R1.311 CC(C)(C#N)SC[C@@H](O)c1ccccc1 62a_100011162410_100011933945 [1,1,0,0,0,0|1,0,1]=4 1454 B15R1.311 CC(C)(C#N)SC[C@@H](O)c1ccccc1 62a_100011933945_100011162410 [1,1,0,0,0,0|1,0,1]=4 1455 B15R1.311 CC(C)(CCl)OCC(O)c1ccccc1 7a_100000764493_100000185958 [1,1,0,0,0,0|1,0,0]=3 1456 B15R1.311 CC(C)(CCl)OC[C@@H](O)c1ccccc1 7a_100000764493_100011933945 [1,1,0,0,0,0|1,0,0]=3 1457 B15R1.311 CC(C)(CO)NCC(O)c1ccccc1 2230a_100000210608_100000185958 [1,1,0,0,0,0|0,0,0]=2 1458 B15R1.311 CC(C)(CO)NC[C@@H](O)c1ccccc1 2230a_100000210608_100011933945 [1,1,0,0,0,0|0,0,0]=2 1459 B15R1.311 CC(CNC(C)(C)C#N)c1ccccc1 34a_100000701038_100011162410 [1,1,0,0,0,0|1,0,1]=4 1460 B15R1.311 CC(CNC(C)(C)CO)c1ccccc1 2230a_100000210608_100000756946 [1,1,0,0,0,0|1,0,0]=3 1461 B15R1.311 CC(CNC(C)(C)CO)c1ccccc1 270004a_100000210608_100000212034 [1,1,0,0,0,0|1,0,0]=3 1462 B15R1.311 CC(COC(C)(C)CCl)c1ccccc1 7a_100000764493_100000756946 [1,1,0,0,0,0|2,0,0]=4 1463 B15R1.311 CCC(C)(C)NCC(C)c1ccccc1 2230a_100000211385_100000756946 [1,1,0,0,0,0|1,0,0]=3 1464 B15R1.311 CCC(C)(C)NCC(C)c1ccccc1 270004a_100000211385_100000212034 [1,1,0,0,0,0|1,0,0]=3 1465 B15R1.311 CCC(C)(C)NCC(O)c1ccccc1 2230a_100000211385_100000185958 [1,1,0,0,0,0|0,0,0]=2 1466 B15R1.311 CCC(C)(C)NC[C@@H](O)c1ccccc1 2230a_100000211385_100011933945 [1,1,0,0,0,0|0,0,0]=2 1467 B15R1.311 CCC(C)(C)OCC(C)c1ccccc1 7a_100000210230_100000756946 [1,1,0,0,0,0|2,0,0]=4 1468 B15R1.311 CCC(C)(C)OCC(C)c1ccccc1 7a_100011215166_100000210677 [1,1,0,0,0,0|2,0,0]=4 1469 B15R1.311 CCC(C)(C)OCC(O)c1ccccc1 7a_100000210230_100000185958 [1,1,0,0,0,0|1,0,0]=3 1470 B15R1.311 CCC(C)(C)OC[C@@H](O)c1ccccc1 7a_100000210230_100011933945 [1,1,0,0,0,0|1,0,0]=3 1471 B15R1.311 CCC(C)(C)SCC(C)c1ccccc1 62a_100000032637_100000756946 [1,1,0,0,0,0|2,0,0]=4 1472 B15R1.311 CCC(C)(C)SCC(C)c1ccccc1 62a_100000756946_100000032637 [1,1,0,0,0,0|2,0,0]=4 1473 B15R1.311 CCC(C)(C)SCC(O)c1ccccc1 62a_100000032637_100000185958 [1,1,0,0,0,0|1,0,0]=3 1474 B15R1.311 CCC(C)(C)SCC(O)c1ccccc1 62a_100000185958_100000032637 [1,1,0,0,0,0|1,0,0]=3 1475 B15R1.311 CCC(C)(C)SC[C@@H](O)c1ccccc1 62a_100000032637_100011933945 [1,1,0,0,0,0|1,0,0]=3 1476 B15R1.311 CCC(C)(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000032637 [1,1,0,0,0,0|1,0,0]=3 1477 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_100000210625 [1,1,0,0,0,0|0,0,0]=2 1478 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)Cl 2230a_100000715429_200011996143 [1,1,0,0,0,0|0,0,0]=2 1479 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210625 [1,1,0,0,0,0|0,0,0]=2 1480 B15R1.892 CC(C)(C)NCC(O)c1ccc(cc1)O 34a_100000067596_100000210625 [1,1,0,0,0,0|0,0,0]=2 1481 B15R1.892 CC(C)(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000715429_100000720402 [1,1,0,0,0,0|0,0,0]=2 1482 B15R1.892 CC(C)(C)OCC(N)c1ccc(cc1)Br 34a_100000734186_100000210625 [1,1,0,0,0,0|2,0,0]=4 1483 B15R1.892 CC(C)(C)OCC(N)c1ccc(cc1)F 34a_100000705410_100000210625 [1,1,0,0,0,0|2,0,0]=4 1484 B15R1.892 CC(C)(C)OCC(O)c1ccc(cc1)Cl 34a_100015890283_200011996143 [1,1,0,0,0,0|1,0,0]=3 1485 B15R1.892 CC(C)(C)OCC(O)c1ccc(cc1)Cl 7a_100015890283_200011996143 [1,1,0,0,0,0|1,0,0]=3 1486 B15R1.892 CC(C)(C)OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210625 [1,1,0,0,0,0|2,0,0]=4 1487 B15R1.892 CC(C)(C)OC[C@H](O)c1ccc(cc1)F 34a_100015890283_100000720402 [1,1,0,0,0,0|1,0,0]=3 1488 B15R1.892 CC(C)(C)OC[C@H](O)c1ccc(cc1)F 7a_100015890283_100000720402 [1,1,0,0,0,0|1,0,0]=3 1489 B15R1.892 CC(C)(C)SCC(O)c1ccc(cc1)Cl 62a_100000211941_200011996143 [1,1,0,0,0,0|1,0,0]=3 1490 B15R1.892 CC(C)(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100000211941 [1,1,0,0,0,0|1,0,0]=3 1491 B15R1.892 CC(C)(C)SC[C@H](O)c1ccc(cc1)F 62a_100000211941_100000720402 [1,1,0,0,0,0|1,0,0]=3 1492 B15R1.892 CC(C)(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000211941 [1,1,0,0,0,0|1,0,0]=3 1493 B15R1.892 CC(CNC(C)(C)C)c1ccc(cc1)O 34a_200015188644_100000210625 [1,1,0,0,0,0|1,0,0]=3 1494 B15R1.892 Cc1ccc(cc1)C(=O)CNC(C)(C)C 2230a_100000715429_100000211441 [1,1,0,0,0,0|0,0,2]=4 1495 B15R1.892 Cc1ccc(cc1)C(O)CNC(C)(C)C 34a_200020610344_100000210625 [1,1,0,0,0,0|0,0,0]=2 1496 B15R1.892 Cc1ccc(cc1)[C@@H](N)COC(C)(C)C 34a_100009818840_100000210625 [1,1,0,0,0,0|2,0,0]=4 1497 B15R1.3977 CC(C)(C)NC(=O)C(F)c1ccccc1 11a_100000715429_100000698975 [1,1,0,0,0,0|1,0,1]=4 1498 B15R1.3977 CC(C)(C)NC(=O)C(F)c1ccccc1 1626a_100000715429_100000698975 [1,1,0,0,0,0|1,0,1]=4 1499 B15R1.3977 CC(C)(C)NC(=O)C(F)c1ccccc1 240690a_100000715429_100000698975 [1,1,0,0,0,0|1,0,1]=4 1500 B15R1.3977 CC(C)(C)NC(=O)C(F)c1ccccc1 527a_100000715429_100000698975 [1,1,0,0,0,0|1,0,1]=4 1501 B15R1.3977 CC(C)(C)NC(=O)[C@H](O)c1ccccc1 240690a_100000715429_100000684486 [1,1,0,0,0,0|0,0,1]=3 1502 B15R1.3977 CC(NC(C)(C)C)C(=O)c1ccccc1 2230a_100000715429_100000239700 [1,1,0,0,0,0|0,0,2]=4 1503 B15R1.3977 C[C@H](C(=O)NC(C)(C)C)c1ccccc1 11a_100000715429_100000751047 [1,1,0,0,0,0|1,0,1]=4 1504 B15R1.3977 C[C@H](C(=O)NC(C)(C)C)c1ccccc1 1626a_100000715429_100000751047 [1,1,0,0,0,0|1,0,1]=4 1505 B15R1.3977 C[C@H](C(=O)NC(C)(C)C)c1ccccc1 240690a_100000715429_100000751047 [1,1,0,0,0,0|1,0,1]=4 1506 B15R1.3977 C[C@H](C(=O)NC(C)(C)C)c1ccccc1 527a_100000715429_100000751047 [1,1,0,0,0,0|1,0,1]=4 1507 B15R1.3977 C[C@H](OC(C)(C)C)[C@@H](N)c1ccccc1 34a_100134616770_100000210625 [1,1,0,0,0,0|2,0,0]=4 1508 B15R1.5334 CC(C)(C)CN[C@H](CO)c1ccccc1 270004a_100000751927_100011204126 [1,1,0,0,0,0|2,0,0]=4 1509 B15R1.5334 CC(C)(C)CN[C@H](CO)c1ccccc1 34a_100000751927_100011219605 [1,1,0,0,0,0|2,0,0]=4 1510 B15R1.5334 CC(C)(C)NN=C(CO)c1ccccc1 4a_100000725372_100000748912 [1,1,0,0,0,0|1,0,1]=4 1511 B15R1.5334 CCC(COC(C)(C)C)c1ccccc1 34a_100000752371_100000210625 [1,1,0,0,0,0|2,0,0]=4 1512 B15R1.5334 COC(COC(C)(C)C)c1ccccc1 34a_100011215540_100000210625 [1,1,0,0,0,0|1,0,0]=3 1513 B15R1.5392 CC(C)(C)C(=O)CC(O)c1ccccc1 1458a_106744555173_100000185958 [1,1,0,0,0,0|1,0,0]=3 1514 B15R1.5392 CC(C)(C)C(=O)C[C@@H](O)c1ccccc1 1458a_106744555173_100011933945 [1,1,0,0,0,0|1,0,0]=3 1515 B15R1.5392 CC(C)(F)C(=O)CC(O)c1ccccc1 1458a_100000765255_100000185958 [1,1,0,0,0,0|2,0,0]=4 1516 B15R1.5392 CC(C)(F)C(=O)C[C@@H](O)c1ccccc1 1458a_100000765255_100011933945 [1,1,0,0,0,0|2,0,0]=4 1517 B15R1.5392 CC(C)(O)C(=O)CC(O)c1ccccc1 1458a_100000242741_100000185958 [1,1,0,0,0,0|2,0,0]=4 1518 B15R1.5392 CC(C)(O)C(=O)C[C@@H](O)c1ccccc1 1458a_100000242741_100011933945 [1,1,0,0,0,0|2,0,0]=4 1519 B15R1.5392 CC(CC(=O)C(C)(C)C)c1ccccc1 1458a_106744555173_100000756946 [1,1,0,0,0,0|2,0,0]=4 1520 B15R1.5392 CC(CN(C)C(C)(C)C)c1ccccc1 269982a_100011215553_100000756946 [1,1,0,0,0,0|1,0,0]=3 1521 B15R1.5392 CC(CN(C)C(C)(C)C)c1ccccc1 270004a_100011215553_100000212034 [1,1,0,0,0,0|1,0,0]=3 1522 B15R1.5392 CN(CC(=O)c1ccccc1)C(C)(C)C 269982a_100011215553_100000211460 [1,1,0,0,0,0|0,0,2]=4 1523 B15R1.5392 CN(CC(O)c1ccccc1)C(C)(C)C 269982a_100000227976_100000210625 [1,1,0,0,0,0|0,0,0]=2 1524 B15R1.5392 CN(CS(=O)c1ccccc1)C(C)(C)C 269982a_100011215553_100000031784 [1,1,0,0,0,0|1,0,1]=4 1525 B15R1.8277 CC(C)(C)NCC(=O)c1cccc(c1)Br 2230a_100000715429_100000212080 [1,1,0,0,0,0|0,0,2]=4 1526 B15R1.8277 CC(C)(C)NCC(=O)c1cccc(c1)Cl 2230a_100000715429_100000211444 [1,1,0,0,0,0|0,0,2]=4 1527 B15R1.8277 CC(C)(C)NCC(=O)c1cccc(c1)F 2230a_100000715429_100000215616 [1,1,0,0,0,0|0,0,2]=4 1528 B15R1.8277 CC(C)(C)NCC(O)c1cccc(c1)O 34a_100020657549_100000210625 [1,1,0,0,0,0|0,0,0]=2 1529 B15R1.8277 CC(C)(C)OCC(N)c1cccc(c1)Br 34a_100000690078_100000210625 [1,1,0,0,0,0|2,0,0]=4 1530 B15R1.8277 CC(C)(C)OC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210625 [1,1,0,0,0,0|2,0,0]=4 1531 B15R1.8277 CC(C)(C)OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210625 [1,1,0,0,0,0|2,0,0]=4 1532 B15R1.8277 Cc1cccc(c1)C(=O)CNC(C)(C)C 2230a_100000715429_100000739480 [1,1,0,0,0,0|0,0,2]=4 1533 B15R1.8277 Cc1cccc(c1)[C@H](N)COC(C)(C)C 34a_100009818812_100000210625 [1,1,0,0,0,0|2,0,0]=4 1534 B15R1.23261 CC(C)(C)NCC(F)(F)c1ccccc1 34a_100000717977_100000210625 [1,1,0,0,0,0|1,0,0]=3 1535 B15R1.23261 CC(C)(C)NC[Si](C)(C)c1ccccc1 2230a_100000715429_100000038972 [1,1,0,0,0,0|1,1,0]=4 1536 B15R1.23261 CC(C)(C)OCC(F)(F)c1ccccc1 34a_100015890283_100009875531 [1,1,0,0,0,0|2,0,0]=4 1537 B15R1.23261 CC(C)(C)SCC(C)(C)c1ccccc1 62a_100000211941_100000703224 [1,1,0,0,0,0|2,0,0]=4 1538 B15R1.23261 CC(C)(C)SCC(C)(C)c1ccccc1 62a_100000703224_100000211941 [1,1,0,0,0,0|2,0,0]=4 1539 B15R1.23261 CC(C)(C)SCC(F)(F)c1ccccc1 62a_100000211941_100009875531 [1,1,0,0,0,0|2,0,0]=4 1540 B15R1.23261 CC(C)(C)SCC(F)(F)c1ccccc1 62a_100009875531_100000211941 [1,1,0,0,0,0|2,0,0]=4 1541 B15R1.5813 CC(C)(C)NC(C)(C)c1ccccc1Cl 34a_100020606166_100000210625 [0,1,0,0,1,0|1,0,0]=3 1542 B15R1.5813 CC(C)(C)NC(C)(C)c1ccccc1F 34a_100000734538_100000210625 [0,1,0,0,1,0|1,1,0]=4 1543 B15R1.5813 CC(C)(C)NC(F)(F)c1ccccc1F 2230a_100000715429_100000070671 [0,1,0,0,1,0|1,1,0]=4 1544 B15R1.5813 CC(C)(C)NS(=O)(=O)c1ccccc1Cl 270084a_100000715429_100000184199 [0,1,0,0,1,0|1,0,1]=4 1545 B15R1.5813 CC(C)(C)NS(=O)(=O)c1ccccc1Cl 274078a_100000715429_100000184199 [0,1,0,0,1,0|1,0,1]=4 1546 B15R1.5813 CC(C)(C)OC(C)(C)c1ccccc1Cl 34a_100000690508_100000210625 [0,1,0,0,1,0|2,0,0]=4 1547 B15R1.7724 C#CC(C)(C)NC(C)c1ccccc1Cl 34a_100000174978_100000038118 [0,1,0,0,1,0|1,0,1]=4 1548 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1Cl 240690a_100000210608_100000185844 [0,1,0,0,1,0|0,0,2]=4 1549 B15R1.7724 CC(C)(CO)NC(=O)c1ccccc1Cl 527a_100020618417_100000185844 [0,1,0,0,1,0|0,0,2]=4 1550 B15R1.7724 CC(NC(C)(C)C#N)c1ccccc1Cl 34a_100000174978_100011162410 [0,1,0,0,1,0|1,0,1]=4 1551 B15R1.7724 CC(NC(C)(C)CO)c1ccccc1Cl 2230a_100000210608_100000181259 [0,1,0,0,1,0|1,0,0]=3 1552 B15R1.7724 CC(NC(C)(C)CO)c1ccccc1F 2230a_100000210608_200000741388 [0,1,0,0,1,0|1,1,0]=4 1553 B15R1.7724 CC(OC(C)(C)CCl)c1ccccc1Cl 7a_100000764493_100000181259 [0,1,0,0,1,0|2,0,0]=4 1554 B15R1.7724 CCC(C)(C)NC(=O)c1ccccc1Cl 11a_100000211385_100000185844 [0,1,0,0,1,0|0,0,2]=4 1555 B15R1.7724 CCC(C)(C)NC(=O)c1ccccc1Cl 1626a_100000211385_100000185844 [0,1,0,0,1,0|0,0,2]=4 1556 B15R1.7724 CCC(C)(C)NC(=O)c1ccccc1Cl 240690a_100000211385_100000185844 [0,1,0,0,1,0|0,0,2]=4 1557 B15R1.7724 CCC(C)(C)NC(=O)c1ccccc1Cl 527a_100000211385_100000185844 [0,1,0,0,1,0|0,0,2]=4 1558 B15R1.7724 CCC(C)(C)NC(C)c1ccccc1Cl 2230a_100000211385_100000181259 [0,1,0,0,1,0|1,0,0]=3 1559 B15R1.7724 CCC(C)(C)NC(C)c1ccccc1F 2230a_100000211385_200000741388 [0,1,0,0,1,0|1,1,0]=4 1560 B15R1.7724 CCC(C)(C)OC(C)c1ccccc1Cl 7a_100000210230_100000181259 [0,1,0,0,1,0|2,0,0]=4 1561 B15R1.7724 CCC(C)(C)OC(C)c1ccccc1Cl 7a_100000740796_100000210677 [0,1,0,0,1,0|2,0,0]=4 1562 B15R1.7724 CN(CC(C)(C)CO)c1ccccc1Cl 34a_100000219374_100009813988 [0,1,0,0,1,0|2,0,0]=4 1563 B15R1.7724 COC(C)(C)CN(C)c1ccccc1Cl 269982a_100000219374_100000701081 [0,1,0,0,1,0|2,0,0]=4 1564 B15R1.7724 COC(C)(C)CN(C)c1ccccc1Cl 34a_100000219374_100000701081 [0,1,0,0,1,0|2,0,0]=4 1565 B15R1.8024 CC(C(=O)C(C)(C)C)c1ccccc1Cl 1458a_106744555173_100000181259 [0,1,0,0,1,0|1,0,1]=4 1566 B15R1.8024 CC(c1ccccc1Br)N(C)C(C)(C)C 269982a_100000692418_100000210625 [0,1,0,0,1,0|1,1,0]=4 1567 B15R1.8024 CC(c1ccccc1Cl)N(C)C(C)(C)C 269982a_100011215553_100000181259 [0,1,0,0,1,0|1,0,0]=3 1568 B15R1.8024 CC(c1ccccc1F)N(C)C(C)(C)C 269982a_100000231110_100000210625 [0,1,0,0,1,0|1,1,0]=4 1569 B15R1.8024 CC(c1ccccc1F)N(C)C(C)(C)C 269982a_100011215553_200000741388 [0,1,0,0,1,0|1,1,0]=4 1570 B15R1.8024 CC(c1ccccc1F)N(C)C(C)(C)C 34a_100000231110_100000210625 [0,1,0,0,1,0|1,1,0]=4 1571 B15R1.8024 CN(C(=O)c1ccccc1Cl)C(C)(C)C 11a_100011215553_100000185844 [0,1,0,0,1,0|0,0,2]=4 1572 B15R1.8024 CN(C(=O)c1ccccc1Cl)C(C)(C)C 1626a_100011215553_100000185844 [0,1,0,0,1,0|0,0,2]=4 1573 B15R1.8024 CN(C(=O)c1ccccc1Cl)C(C)(C)C 240690a_100011215553_100000185844 [0,1,0,0,1,0|0,0,2]=4 1574 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1Br)Cl 11a_100000715429_100011253703 [0,1,0,0,1,0|0,0,2]=4 1575 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1Br)Cl 1626a_100000715429_100011253703 [0,1,0,0,1,0|0,0,2]=4 1576 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1Br)Cl 240690a_100000715429_100011253703 [0,1,0,0,1,0|0,0,2]=4 1577 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1Br)Cl 527a_100000715429_100011253703 [0,1,0,0,1,0|0,0,2]=4 1578 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1Cl)Cl 11a_100000715429_100000210656 [0,1,0,0,1,0|0,0,2]=4 1579 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1Cl)Cl 1626a_100000715429_100000210656 [0,1,0,0,1,0|0,0,2]=4 1580 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1Cl)Cl 240690a_100000715429_100000210656 [0,1,0,0,1,0|0,0,2]=4 1581 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1Cl)F 11a_100000715429_100000210369 [0,1,0,0,1,0|0,0,2]=4 1582 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1Cl)F 1626a_100000715429_100000210369 [0,1,0,0,1,0|0,0,2]=4 1583 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1Cl)F 240690a_100000715429_100000210369 [0,1,0,0,1,0|0,0,2]=4 1584 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1Cl)F 527a_100000715429_100000210369 [0,1,0,0,1,0|0,0,2]=4 1585 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1Cl)O 240690a_100000715429_100000745519 [0,1,0,0,1,0|0,0,2]=4 1586 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1Cl)O 527a_100000715429_100000745519 [0,1,0,0,1,0|0,0,2]=4 1587 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1I)Cl 11a_100000715429_100000702859 [0,1,0,0,1,0|0,0,2]=4 1588 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1I)Cl 1626a_100000715429_100000702859 [0,1,0,0,1,0|0,0,2]=4 1589 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1I)Cl 240690a_100000715429_100000702859 [0,1,0,0,1,0|0,0,2]=4 1590 B15R1.8313 CC(C)(C)NC(=O)c1c(cccc1I)Cl 527a_100000715429_100000702859 [0,1,0,0,1,0|0,0,2]=4 1591 B15R1.8313 CC(NC(C)(C)C)c1c(cccc1F)F 34a_100025772709_100000210625 [0,1,0,0,1,0|1,1,0]=4 1592 B15R1.8313 CC(OC(C)(C)C)c1c(cccc1Cl)Cl 34a_100011215154_100000210625 [0,1,0,0,1,0|2,0,0]=4 1593 B15R1.8313 CN(CC(C)(C)C)c1c(cccc1Cl)Cl 34a_100000691019_100011219605 [0,1,0,0,1,0|2,0,0]=4 1594 B15R1.8313 C[C@@H](NC(C)(C)C)c1c(cccc1Cl)Cl 34a_100016989663_100000210625 [0,1,0,0,1,0|1,0,0]=3 1595 B15R1.8313 C[C@@H](NC(C)(C)C)c1c(cccc1Cl)F 34a_100011997870_100000210625 [0,1,0,0,1,0|1,0,0]=3 1596 B15R1.8313 C[C@@H](OC(C)(C)C)c1c(cccc1Cl)F 34a_200012136785_100000210625 [0,1,0,0,1,0|2,0,0]=4 1597 B15R1.8313 Cc1cccc(c1C(=O)NC(C)(C)C)Cl 11a_100000715429_100000692601 [0,1,0,0,1,0|0,0,2]=4 1598 B15R1.8313 Cc1cccc(c1C(=O)NC(C)(C)C)Cl 1626a_100000715429_100000692601 [0,1,0,0,1,0|0,0,2]=4 1599 B15R1.8313 Cc1cccc(c1C(=O)NC(C)(C)C)Cl 240690a_100000715429_100000692601 [0,1,0,0,1,0|0,0,2]=4 1600 B15R1.8313 Cc1cccc(c1[C@H](C)NC(C)(C)C)C 34a_100016987977_100000210625 [0,1,0,0,1,0|2,0,0]=4 1601 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)Br 11a_100000715429_100000760540 [0,1,0,0,1,0|0,0,2]=4 1602 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)Br 1626a_100000715429_100000760540 [0,1,0,0,1,0|0,0,2]=4 1603 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)Br 240690a_100000715429_100000760540 [0,1,0,0,1,0|0,0,2]=4 1604 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)Br 527a_100000715429_100000760540 [0,1,0,0,1,0|0,0,2]=4 1605 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)Cl 11a_100000715429_100000183631 [0,1,0,0,1,0|0,0,2]=4 1606 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)Cl 1626a_100000715429_100000183631 [0,1,0,0,1,0|0,0,2]=4 1607 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)Cl 240690a_100000715429_100000183631 [0,1,0,0,1,0|0,0,2]=4 1608 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)Cl 527a_100000715429_100000183631 [0,1,0,0,1,0|0,0,2]=4 1609 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)F 11a_100000715429_100000759904 [0,1,0,0,1,0|0,0,2]=4 1610 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)F 1626a_100000715429_100000759904 [0,1,0,0,1,0|0,0,2]=4 1611 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)F 240690a_100000715429_100000759904 [0,1,0,0,1,0|0,0,2]=4 1612 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)F 527a_100000715429_100000759904 [0,1,0,0,1,0|0,0,2]=4 1613 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)I 11a_100000715429_100010176783 [0,1,0,0,1,0|0,0,2]=4 1614 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)I 1626a_100000715429_100010176783 [0,1,0,0,1,0|0,0,2]=4 1615 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)I 240690a_100000715429_100010176783 [0,1,0,0,1,0|0,0,2]=4 1616 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)I 527a_100000715429_100010176783 [0,1,0,0,1,0|0,0,2]=4 1617 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)O 240690a_100000715429_100000092362 [0,1,0,0,1,0|0,0,2]=4 1618 B15R1.8318 CC(C)(C)NC(=O)c1cccc(c1Cl)O 527a_100000715429_100000092362 [0,1,0,0,1,0|0,0,2]=4 1619 B15R1.8318 CC(NC(C)(C)C)c1cccc(c1Cl)Cl 34a_100015335525_100000210625 [0,1,0,0,1,0|1,0,0]=3 1620 B15R1.8318 CC(NC(C)(C)C)c1cccc(c1Cl)F 34a_100103153465_100000210625 [0,1,0,0,1,0|1,0,0]=3 1621 B15R1.8318 CN(CC(C)(C)C)c1cccc(c1Cl)Cl 34a_100000742713_100011219605 [0,1,0,0,1,0|2,0,0]=4 1622 B15R1.8318 C[C@@H](NC(C)(C)C)c1cccc(c1F)Cl 34a_100016987989_100000210625 [0,1,0,0,1,0|1,1,0]=4 1623 B15R1.8318 C[C@H](NC(C)(C)C)c1cccc(c1F)F 34a_100020612118_100000210625 [0,1,0,0,1,0|1,1,0]=4 1624 B15R1.8318 Cc1cccc(c1C)C(C)NC(C)(C)C 2230a_100000715429_100012183177 [0,1,0,0,1,0|2,0,0]=4 1625 B15R1.8318 Cc1cccc(c1Cl)C(=O)NC(C)(C)C 11a_100000715429_100000693142 [0,1,0,0,1,0|0,0,2]=4 1626 B15R1.8318 Cc1cccc(c1Cl)C(=O)NC(C)(C)C 1626a_100000715429_100000693142 [0,1,0,0,1,0|0,0,2]=4 1627 B15R1.8318 Cc1cccc(c1Cl)C(=O)NC(C)(C)C 240690a_100000715429_100000693142 [0,1,0,0,1,0|0,0,2]=4 1628 B15R1.8318 Cc1cccc(c1Cl)C(=O)NC(C)(C)C 527a_100000715429_100000693142 [0,1,0,0,1,0|0,0,2]=4 1629 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)Br 11a_100000715429_100000211212 [0,1,0,0,1,0|0,0,2]=4 1630 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)Br 1626a_100000715429_100000211212 [0,1,0,0,1,0|0,0,2]=4 1631 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)Br 240690a_100000715429_100000211212 [0,1,0,0,1,0|0,0,2]=4 1632 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)Br 527a_100000715429_100000211212 [0,1,0,0,1,0|0,0,2]=4 1633 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)Cl 11a_100000715429_100000210642 [0,1,0,0,1,0|0,0,2]=4 1634 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)Cl 1626a_100000715429_100000210642 [0,1,0,0,1,0|0,0,2]=4 1635 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)Cl 240690a_100000715429_100000210642 [0,1,0,0,1,0|0,0,2]=4 1636 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)Cl 527a_100000715429_100000210642 [0,1,0,0,1,0|0,0,2]=4 1637 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)F 11a_100000715429_100011219680 [0,1,0,0,1,0|0,0,2]=4 1638 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)F 1626a_100000715429_100011219680 [0,1,0,0,1,0|0,0,2]=4 1639 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)F 240690a_100000715429_100011219680 [0,1,0,0,1,0|0,0,2]=4 1640 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)F 527a_100000715429_100011219680 [0,1,0,0,1,0|0,0,2]=4 1641 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)I 11a_100000715429_100000688013 [0,1,0,0,1,0|0,0,2]=4 1642 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)I 1626a_100000715429_100000688013 [0,1,0,0,1,0|0,0,2]=4 1643 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)I 240690a_100000715429_100000688013 [0,1,0,0,1,0|0,0,2]=4 1644 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)I 527a_100000715429_100000688013 [0,1,0,0,1,0|0,0,2]=4 1645 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)O 240690a_100000715429_100000719527 [0,1,0,0,1,0|0,0,2]=4 1646 B15R1.8421 CC(C)(C)NC(=O)c1cc(ccc1Cl)O 527a_100000715429_100000719527 [0,1,0,0,1,0|0,0,2]=4 1647 B15R1.8421 CC(NC(C)(C)C)c1cc(ccc1Br)F 34a_100012343209_100000210625 [0,1,0,0,1,0|1,1,0]=4 1648 B15R1.8421 CC(NC(C)(C)C)c1cc(ccc1Cl)Cl 34a_100000737532_100000210625 [0,1,0,0,1,0|1,0,0]=3 1649 B15R1.8421 CC(NC(C)(C)C)c1cc(ccc1F)F 34a_100000737541_100000210625 [0,1,0,0,1,0|1,1,0]=4 1650 B15R1.8421 CC(OC(C)(C)C)c1cc(ccc1Cl)Cl 34a_100000742519_100000210625 [0,1,0,0,1,0|2,0,0]=4 1651 B15R1.8421 CN(CC(C)(C)C)c1cc(ccc1Cl)Br 34a_100011772073_100011219605 [0,1,0,0,1,0|2,0,0]=4 1652 B15R1.8421 CN(CC(C)(C)C)c1cc(ccc1Cl)Cl 34a_100000742562_100011219605 [0,1,0,0,1,0|2,0,0]=4 1653 B15R1.8421 C[C@@H](NC(C)(C)C)c1cc(ccc1O)Cl 34a_100011853016_100000210625 [0,1,0,0,1,0|2,0,0]=4 1654 B15R1.8421 C[C@H](NC(C)(C)C)c1cc(ccc1F)Cl 34a_100000695052_100000210625 [0,1,0,0,1,0|1,1,0]=4 1655 B15R1.8421 C[C@H](NC(C)(C)C)c1cc(ccc1O)F 34a_100160469477_100000210625 [0,1,0,0,1,0|2,0,0]=4 1656 B15R1.8421 Cc1ccc(c(c1)C(=O)NC(C)(C)C)Cl 11a_100000715429_100011290873 [0,1,0,0,1,0|0,0,2]=4 1657 B15R1.8421 Cc1ccc(c(c1)C(=O)NC(C)(C)C)Cl 1626a_100000715429_100011290873 [0,1,0,0,1,0|0,0,2]=4 1658 B15R1.8421 Cc1ccc(c(c1)C(=O)NC(C)(C)C)Cl 240690a_100000715429_100011290873 [0,1,0,0,1,0|0,0,2]=4 1659 B15R1.8421 Cc1ccc(c(c1)C(=O)NC(C)(C)C)Cl 527a_100000715429_100011290873 [0,1,0,0,1,0|0,0,2]=4 1660 B15R1.8421 Cc1ccc(c(c1)[C@H](C)NC(C)(C)C)C 34a_100000695983_100000210625 [0,1,0,0,1,0|2,0,0]=4 1661 B15R1.8421 Cc1ccc(cc1C(C)NC(C)(C)C)F 34a_100011191733_100000210625 [0,1,0,0,1,0|2,0,0]=4 1662 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)Br 11a_100000715429_100000741628 [0,1,0,0,1,0|0,0,2]=4 1663 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)Br 1626a_100000715429_100000741628 [0,1,0,0,1,0|0,0,2]=4 1664 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)Br 240690a_100000715429_100000741628 [0,1,0,0,1,0|0,0,2]=4 1665 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)Br 527a_100000715429_100000741628 [0,1,0,0,1,0|0,0,2]=4 1666 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)Cl 11a_100000715429_100000185840 [0,1,0,0,1,0|0,0,2]=4 1667 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)Cl 1626a_100000715429_100000185840 [0,1,0,0,1,0|0,0,2]=4 1668 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)Cl 240690a_100000715429_100000185840 [0,1,0,0,1,0|0,0,2]=4 1669 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)Cl 527a_100000715429_100000185840 [0,1,0,0,1,0|0,0,2]=4 1670 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)F 11a_100000715429_100000211397 [0,1,0,0,1,0|0,0,2]=4 1671 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)F 1626a_100000715429_100000211397 [0,1,0,0,1,0|0,0,2]=4 1672 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)F 240690a_100000715429_100000211397 [0,1,0,0,1,0|0,0,2]=4 1673 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)F 527a_100000715429_100000211397 [0,1,0,0,1,0|0,0,2]=4 1674 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)I 11a_100000715429_100000751301 [0,1,0,0,1,0|0,0,2]=4 1675 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)I 1626a_100000715429_100000751301 [0,1,0,0,1,0|0,0,2]=4 1676 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)I 240690a_100000715429_100000751301 [0,1,0,0,1,0|0,0,2]=4 1677 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)I 527a_100000715429_100000751301 [0,1,0,0,1,0|0,0,2]=4 1678 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)O 240690a_100000715429_100000702456 [0,1,0,0,1,0|0,0,2]=4 1679 B15R1.8443 CC(C)(C)NC(=O)c1ccc(cc1Cl)O 527a_100000715429_100000702456 [0,1,0,0,1,0|0,0,2]=4 1680 B15R1.8443 CC(NC(C)(C)C)c1ccc(cc1Cl)Cl 34a_100000179772_100000210625 [0,1,0,0,1,0|1,0,0]=3 1681 B15R1.8443 CC(NC(C)(C)C)c1ccc(cc1F)Br 34a_100000730447_100000210625 [0,1,0,0,1,0|1,1,0]=4 1682 B15R1.8443 CC(NC(C)(C)C)c1ccc(cc1F)F 34a_100000181410_100000210625 [0,1,0,0,1,0|1,1,0]=4 1683 B15R1.8443 CC(OC(C)(C)C)c1ccc(cc1Cl)Cl 34a_100000743050_100000210625 [0,1,0,0,1,0|2,0,0]=4 1684 B15R1.8443 CC(OC(C)(C)C)c1ccc(cc1Cl)F 34a_200011245020_100000210625 [0,1,0,0,1,0|2,0,0]=4 1685 B15R1.8443 CN(CC(C)(C)C)c1ccc(cc1Cl)Br 34a_100000221650_100011219605 [0,1,0,0,1,0|2,0,0]=4 1686 B15R1.8443 CN(CC(C)(C)C)c1ccc(cc1Cl)Cl 34a_114849113696_100011219605 [0,1,0,0,1,0|2,0,0]=4 1687 B15R1.8443 C[C@@H](NC(C)(C)C)c1ccc(cc1Br)F 34a_100025704064_100000210625 [0,1,0,0,1,0|1,1,0]=4 1688 B15R1.8443 C[C@@H](NC(C)(C)C)c1ccc(cc1Cl)F 34a_100015196781_100000210625 [0,1,0,0,1,0|1,0,0]=3 1689 B15R1.8443 Cc1cc(ccc1[C@H](C)NC(C)(C)C)Cl 34a_100020633667_100000210625 [0,1,0,0,1,0|2,0,0]=4 1690 B15R1.8443 Cc1ccc(c(c1)C)[C@H](C)NC(C)(C)C 34a_100000745882_100000210625 [0,1,0,0,1,0|2,0,0]=4 1691 B15R1.8443 Cc1ccc(c(c1)Cl)C(=O)NC(C)(C)C 11a_100000715429_100000766932 [0,1,0,0,1,0|0,0,2]=4 1692 B15R1.8443 Cc1ccc(c(c1)Cl)C(=O)NC(C)(C)C 1626a_100000715429_100000766932 [0,1,0,0,1,0|0,0,2]=4 1693 B15R1.8443 Cc1ccc(c(c1)Cl)C(=O)NC(C)(C)C 240690a_100000715429_100000766932 [0,1,0,0,1,0|0,0,2]=4 1694 B15R1.8443 Cc1ccc(c(c1)Cl)C(=O)NC(C)(C)C 527a_100000715429_100000766932 [0,1,0,0,1,0|0,0,2]=4 1695 B15R1.10034 CC(C)(C)NC(CO)c1ccccc1Cl 34a_100138412506_100000210625 [0,1,0,0,1,0|0,0,0]=2 1696 B15R1.10034 CC(C)(C)N[C@@H](CO)c1ccccc1F 34a_100009818778_100000210625 [0,1,0,0,1,0|0,1,0]=3 1697 B15R1.10034 CC(C)(C)N[C@H](CO)c1ccccc1Br 34a_100161155918_100000210625 [0,1,0,0,1,0|0,1,0]=3 1698 B15R1.10034 CC(C)(C)OC(CN)c1ccccc1Cl 34a_200000759403_100000210625 [0,1,0,0,1,0|2,0,0]=4 1699 B15R1.10034 CC[C@H](NC(C)(C)C)c1ccccc1Cl 34a_200016987949_100000210625 [0,1,0,0,1,0|1,0,0]=3 1700 B15R1.10034 CC[C@H](NC(C)(C)C)c1ccccc1F 34a_100015190424_100000210625 [0,1,0,0,1,0|1,1,0]=4 1701 B17R1.9007 CC(C(=O)CCC(C)(C)C)c1ccccc1Cl 1458a_100000757465_100000181259 [0,1,0,0,0,1|2,0,0]=4 1702 B17R1.9007 CC(C(=O)CCC(C)(C)C)c1ccccc1Cl 1458a_100011667492_100000755188 [0,1,0,0,0,1|2,0,0]=4 1703 B17R1.9007 CC(C(=O)COC(C)(C)C)c1ccccc1Cl 1458a_100000686494_100000181259 [0,1,0,0,0,1|2,0,0]=4 1704 B17R1.9007 CC(C(=O)NCC(C)(C)C)c1ccccc1Cl 11a_100000743828_100011667492 [0,1,0,0,0,1|1,0,1]=4 1705 B17R1.9007 CC(C(=O)NCC(C)(C)C)c1ccccc1Cl 1626a_100000743828_100011667492 [0,1,0,0,0,1|1,0,1]=4 1706 B17R1.9007 CC(C(=O)NCC(C)(C)C)c1ccccc1Cl 240690a_100000743828_100011667492 [0,1,0,0,0,1|1,0,1]=4 1707 B17R1.9007 CC(C(=O)NCC(C)(C)C)c1ccccc1Cl 527a_100000743828_100011667492 [0,1,0,0,0,1|1,0,1]=4 1708 B17R1.9007 CC(C(=O)NNC(C)(C)C)c1ccccc1Cl 22a_100000725372_100011667492 [0,1,0,0,0,1|1,0,1]=4 1709 B17R1.9007 CC(C)(C)CCC(=O)C(O)c1ccccc1Br 1458a_200011356456_100000755188 [0,1,0,0,0,1|1,1,0]=4 1710 B17R1.9007 CC(C)(C)CCC(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000755188 [0,1,0,0,0,1|1,0,0]=3 1711 B17R1.9007 CC(C)(C)CCC(=O)C(O)c1ccccc1F 1458a_100011219519_100000755188 [0,1,0,0,0,1|1,1,0]=4 1712 B17R1.9007 CC(C)(C)CNC(=O)C(O)c1ccccc1Br 240690a_100000743828_200011356456 [0,1,0,0,0,1|0,1,1]=4 1713 B17R1.9007 CC(C)(C)CNC(=O)C(O)c1ccccc1Cl 240690a_100000743828_100011217820 [0,1,0,0,0,1|0,0,1]=3 1714 B17R1.9007 CC(C)(C)CNC(=O)C(O)c1ccccc1F 240690a_100000743828_100011219519 [0,1,0,0,0,1|0,1,1]=4 1715 B17R1.9007 CC(C)(C)NNC(=O)C(O)c1ccccc1Br 22a_100000725372_200011356456 [0,1,0,0,0,1|0,1,1]=4 1716 B17R1.9007 CC(C)(C)NNC(=O)C(O)c1ccccc1Cl 22a_100000725372_100011217820 [0,1,0,0,0,1|0,0,1]=3 1717 B17R1.9007 CC(C)(C)NNC(=O)C(O)c1ccccc1F 22a_100000725372_100011219519 [0,1,0,0,0,1|0,1,1]=4 1718 B17R1.9007 CC(C)(F)CNC(=O)C(O)c1ccccc1Cl 240690a_100020643315_100011217820 [0,1,0,0,0,1|1,0,1]=4 1719 B17R1.9007 CC(C)(O)CNC(=O)C(O)c1ccccc1Cl 240690a_100000751335_100011217820 [0,1,0,0,0,1|1,0,1]=4 1720 B17R1.9007 CC(NCC(C)(C)C)C(=O)c1ccccc1Cl 2230a_100000743828_100010255250 [0,1,0,0,0,1|0,0,2]=4 1721 B17R1.9007 C[N+](C)(C)CCC(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000085578 [0,1,0,0,0,1|2,0,0]=4 1722 B17R1.9007 C[Si](C)(C)CCC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000733723 [0,1,0,0,0,1|1,1,0]=4 1723 B17R1.9007 C[Si](C)(C)CNC(=O)C(O)c1ccccc1Cl 240690a_102516607284_100011217820 [0,1,0,0,0,1|0,1,1]=4 1724 B17R1.9027 CC(C)(C)CCNC(C)(C)c1ccccc1Cl 2230a_100020606166_100000755188 [0,1,0,0,0,1|2,0,0]=4 1725 B17R1.9027 CC(C)(C)CCNC(C)(C)c1ccccc1Cl 34a_100020606166_100000755188 [0,1,0,0,0,1|2,0,0]=4 1726 B17R1.9027 CC(C)(C)CNCC(C)(C)c1ccccc1F 270004a_100000748766_100011204126 [0,1,0,0,0,1|1,1,0]=4 1727 B17R1.9027 CC(C)(C)CNCC(C)(C)c1ccccc1F 34a_100000748766_100011219605 [0,1,0,0,0,1|1,1,0]=4 1728 B17R1.9035 CC(C)(C)C(=O)NCC(O)c1ccccc1Br 240690a_100011236429_106744555173 [0,1,0,0,0,1|0,1,0]=3 1729 B17R1.9035 CC(C)(C)C(=O)NCC(O)c1ccccc1Br 527a_100011236429_106744555173 [0,1,0,0,0,1|0,1,0]=3 1730 B17R1.9035 CC(C)(C)C(=O)NCC(O)c1ccccc1Cl 240690a_200000759403_106744555173 [0,1,0,0,0,1|0,0,0]=2 1731 B17R1.9035 CC(C)(C)C(=O)NCC(O)c1ccccc1Cl 527a_200000759403_106744555173 [0,1,0,0,0,1|0,0,0]=2 1732 B17R1.9035 CC(C)(F)C(=O)NCC(O)c1ccccc1Br 240690a_100011236429_100000765255 [0,1,0,0,0,1|1,1,0]=4 1733 B17R1.9035 CC(C)(F)C(=O)NCC(O)c1ccccc1Br 527a_100011236429_100000765255 [0,1,0,0,0,1|1,1,0]=4 1734 B17R1.9035 CC(C)(F)C(=O)NCC(O)c1ccccc1Cl 240690a_200000759403_100000765255 [0,1,0,0,0,1|1,0,0]=3 1735 B17R1.9035 CC(C)(F)C(=O)NCC(O)c1ccccc1Cl 527a_200000759403_100000765255 [0,1,0,0,0,1|1,0,0]=3 1736 B17R1.9035 CC(C)(O)C(=O)NCC(O)c1ccccc1Br 240690a_100011236429_100000242741 [0,1,0,0,0,1|1,1,0]=4 1737 B17R1.9035 CC(C)(O)C(=O)NCC(O)c1ccccc1Cl 240690a_200000759403_100000242741 [0,1,0,0,0,1|1,0,0]=3 1738 B17R1.9035 CC(F)(F)C(=O)NCC(O)c1ccccc1Cl 240690a_200000759403_100000042251 [0,1,0,0,0,1|2,0,0]=4 1739 B17R1.9035 CC(F)(F)C(=O)NCC(O)c1ccccc1Cl 527a_200000759403_100000042251 [0,1,0,0,0,1|2,0,0]=4 1740 B17R1.9035 CC(NCC(=O)C(C)(C)C)c1ccccc1Cl 34a_100000174978_100000229897 [0,1,0,0,0,1|2,0,0]=4 1741 B17R1.9035 CC(NCC(O)c1ccccc1Br)C(C)(C)O 269862a_100011236429_100000747739 [0,1,0,0,0,1|1,1,0]=4 1742 B17R1.9035 CC(NCC(O)c1ccccc1Cl)C(C)(C)O 269862a_200000759403_100000747739 [0,1,0,0,0,1|1,0,0]=3 1743 B17R1.9035 CC(OCC(=O)C(C)(C)C)c1ccccc1Cl 34a_100000740796_100000229897 [0,1,0,0,0,1|2,0,0]=4 1744 B17R1.9035 CC(OCC(=O)C(C)(C)C)c1ccccc1Cl 7a_100000740796_100000210923 [0,1,0,0,0,1|2,0,0]=4 1745 B17R1.9035 CC(OCC(=O)C(C)(C)C)c1ccccc1Cl 7a_200011592769_100000181259 [0,1,0,0,0,1|2,0,0]=4 1746 B17R1.9035 CC(SCC(=O)C(C)(C)C)c1ccccc1Cl 62a_100000181259_100000210923 [0,1,0,0,0,1|2,0,0]=4 1747 B17R1.9035 CC(SCC(=O)C(C)(C)C)c1ccccc1Cl 62a_100000210923_100000181259 [0,1,0,0,0,1|2,0,0]=4 1748 B17R1.11255 CC(C)(C)NC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000182746 [0,1,0,0,0,1|0,0,2]=4 1749 B17R1.11255 CC(CC(=O)NC(C)(C)C)c1ccccc1Br 11a_100000715429_100000743458 [0,1,0,0,0,1|1,1,0]=4 1750 B17R1.11255 CC(CC(=O)NC(C)(C)C)c1ccccc1Br 1626a_100000715429_100000743458 [0,1,0,0,0,1|1,1,0]=4 1751 B17R1.11255 CC(CC(=O)NC(C)(C)C)c1ccccc1Br 240690a_100000715429_100000743458 [0,1,0,0,0,1|1,1,0]=4 1752 B17R1.11255 CC(CC(=O)NC(C)(C)C)c1ccccc1Br 527a_100000715429_100000743458 [0,1,0,0,0,1|1,1,0]=4 1753 B17R1.11255 CC(CC(=O)NC(C)(C)C)c1ccccc1Cl 11a_100000715429_100012184337 [0,1,0,0,0,1|1,0,0]=3 1754 B17R1.11255 CC(CC(=O)NC(C)(C)C)c1ccccc1Cl 1626a_100000715429_100012184337 [0,1,0,0,0,1|1,0,0]=3 1755 B17R1.11255 CC(CC(=O)NC(C)(C)C)c1ccccc1Cl 240690a_100000715429_100012184337 [0,1,0,0,0,1|1,0,0]=3 1756 B17R1.11255 CC(CC(=O)NC(C)(C)C)c1ccccc1Cl 527a_100000715429_100012184337 [0,1,0,0,0,1|1,0,0]=3 1757 B17R1.11255 CC(NC(=O)NC(C)(C)C)c1ccccc1Cl 2708a_100000174978_100000715429 [0,1,0,0,0,1|1,0,1]=4 1758 B17R1.11255 CC(NC(=O)NC(C)(C)C)c1ccccc1Cl 273464a_100000174978_100000715429 [0,1,0,0,0,1|1,0,1]=4 1759 B17R1.11255 CC(NC(=O)NC(C)(C)C)c1ccccc1Cl 273464a_100000715429_100000174978 [0,1,0,0,0,1|1,0,1]=4 1760 B17R1.11255 CC(NC(=O)NC(C)(C)C)c1ccccc1Cl 512a_100000715429_100000174978 [0,1,0,0,0,1|1,0,1]=4 1761 B17R1.11255 CC(N[C@@H](C)CC(C)(C)C)c1ccccc1Cl 2230a_106358413534_100000181259 [0,1,0,0,0,1|2,0,0]=4 1762 B17R1.11255 CC(N[C@@H](C)CC(C)(C)C)c1ccccc1Cl 269862a_106358413534_100000210134 [0,1,0,0,0,1|2,0,0]=4 1763 B17R1.11255 CN(CC(=O)NC(C)(C)C)c1ccccc1Cl 2230a_100000219374_100000182746 [0,1,0,0,0,1|2,0,0]=4 1764 B17R1.11255 CN(CC(=O)NC(C)(C)C)c1ccccc1Cl 269982a_100000219374_100000182746 [0,1,0,0,0,1|2,0,0]=4 1765 B17R1.11255 CN(CC(=O)NC(C)(C)C)c1ccccc1Cl 34a_100000219374_100000182746 [0,1,0,0,0,1|2,0,0]=4 1766 B17R1.11255 CN(CC(=O)c1ccccc1Cl)CC(C)(C)C 269982a_100000742839_100000211432 [0,1,0,0,0,1|0,0,2]=4 1767 B17R1.13451 C=C[Si](C)(C)CNCC(O)c1ccccc1Cl 2230a_200000759403_100000038793 [0,1,0,0,0,1|0,1,1]=4 1768 B17R1.13451 CC(C)(CO)CNCC(O)c1ccccc1Cl 34a_200000759403_100009813988 [0,1,0,0,0,1|0,0,0]=2 1769 B17R1.13451 CC(C)(CO)COCC(N)c1ccccc1Cl 34a_100138412506_100009813988 [0,1,0,0,0,1|2,0,0]=4 1770 B17R1.13451 COC(C)(C)CCOC(C)c1ccccc1Cl 7a_100000699976_100000181259 [0,1,0,0,0,1|2,0,0]=4 1771 B17R1.13451 COC(C)(C)CNCC(O)c1ccccc1Cl 34a_200000759403_100000701081 [0,1,0,0,0,1|0,0,0]=2 1772 B17R1.13451 COC(C)(C)COCC(N)c1ccccc1Cl 34a_100138412506_100000701081 [0,1,0,0,0,1|2,0,0]=4 1773 B17R1.13451 CSC(C)(C)CNCC(O)c1ccccc1Br 270004a_100011236429_100009845794 [0,1,0,0,0,1|0,1,0]=3 1774 B17R1.13451 CSC(C)(C)CNCC(O)c1ccccc1Cl 270004a_200000759403_100009845794 [0,1,0,0,0,1|0,0,0]=2 1775 B17R1.14440 CC(NCCC(C)(C)C)c1cccc(c1Cl)F 2230a_100103153465_100000755188 [0,1,0,0,0,1|2,0,0]=4 1776 B17R1.14440 CC(NCCC(C)(C)C)c1cccc(c1Cl)F 269862a_100000738805_100000699253 [0,1,0,0,0,1|2,0,0]=4 1777 B17R1.14440 CC(NCCC(C)(C)C)c1cccc(c1Cl)F 34a_100103153465_100000755188 [0,1,0,0,0,1|2,0,0]=4 1778 B17R1.14627 CC(C)(C)CNCC(=O)c1ccc(cc1Cl)Cl 2230a_100000743828_100011218845 [0,1,0,0,0,1|0,0,2]=4 1779 B17R1.14627 CC(C)(C)CNCC(=O)c1ccc(cc1Cl)F 2230a_100000743828_100012056422 [0,1,0,0,0,1|0,0,2]=4 1780 B17R1.14627 CC(C)(C)CNC[C@@H](O)c1ccc(cc1F)F 2230a_100000743828_100000761269 [0,1,0,0,0,1|0,1,0]=3 1781 B17R1.14627 CC(C)(C)CNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000743828_100000761231 [0,1,0,0,0,1|0,0,0]=2 1782 B17R1.14627 CC(C)(C)COC[C@@H](N)c1ccc(cc1Cl)F 34a_102531768864_100011219605 [0,1,0,0,0,1|2,0,0]=4 1783 B17R1.14627 CC(C)(C)CSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100011219605 [0,1,0,0,0,1|1,1,0]=4 1784 B17R1.14627 CC(C)(C)CSC[C@@H](O)c1ccc(cc1F)F 62a_100011219605_100000761269 [0,1,0,0,0,1|1,1,0]=4 1785 B17R1.14627 CC(C)(C)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100011219605 [0,1,0,0,0,1|1,0,0]=3 1786 B17R1.14627 CC(C)(C)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100011219605_100000761231 [0,1,0,0,0,1|1,0,0]=3 1787 B17R1.14627 CC(C)(C)NCOC(=O)c1ccc(cc1Cl)Cl 2230a_100000715429_100010978946 [0,1,0,0,0,1|0,0,2]=4 1788 B17R1.14627 CC(C)(F)CNC[C@@H](O)c1ccc(cc1F)F 2230a_100020643315_100000761269 [0,1,0,0,0,1|1,1,0]=4 1789 B17R1.14627 CC(C)(F)CNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100020643315_100000761231 [0,1,0,0,0,1|1,0,0]=3 1790 B17R1.14627 CC(C)(F)COC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000716592_100000761231 [0,1,0,0,0,1|2,0,0]=4 1791 B17R1.14627 CC(C)(F)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100011997219 [0,1,0,0,0,1|2,0,0]=4 1792 B17R1.14627 CC(C)(F)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100011997219_100000761231 [0,1,0,0,0,1|2,0,0]=4 1793 B17R1.14627 CC(C)(O)CNC[C@@H](O)c1ccc(cc1F)F 2230a_100000751335_100000761269 [0,1,0,0,0,1|1,1,0]=4 1794 B17R1.14627 CC(C)(O)CNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000751335_100000761231 [0,1,0,0,0,1|1,0,0]=3 1795 B17R1.14627 CC(C)(O)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000764493 [0,1,0,0,0,1|2,0,0]=4 1796 B17R1.14627 CC(C)(O)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000764493_100000761231 [0,1,0,0,0,1|2,0,0]=4 1797 B17R1.14627 CC(NCCC(C)(C)C)c1ccc(cc1Cl)F 269862a_100000738805_100000214953 [0,1,0,0,0,1|2,0,0]=4 1798 B17R1.14627 CC(OCCC(C)(C)C)c1ccc(cc1Cl)F 34a_200011245020_100000755188 [0,1,0,0,0,1|2,0,0]=4 1799 B17R1.14627 CC(OCCC(C)(C)C)c1ccc(cc1Cl)F 7a_200011245020_100000755188 [0,1,0,0,0,1|2,0,0]=4 1800 B17R1.14627 C[C@@H](NCCC(C)(C)C)c1ccc(cc1Cl)F 2230a_100015196781_100000755188 [0,1,0,0,0,1|2,0,0]=4 1801 B17R1.14627 C[C@@H](NCCC(C)(C)C)c1ccc(cc1Cl)F 34a_100015196781_100000755188 [0,1,0,0,0,1|2,0,0]=4 1802 B17R1.14627 C[N+](C)(C)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_200000036245 [0,1,0,0,0,1|2,0,0]=4 1803 B17R1.14627 C[N+](C)(C)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_200000036245_100000761231 [0,1,0,0,0,1|2,0,0]=4 1804 B17R1.14627 C[Si](C)(C)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000037933_100000761231 [0,1,0,0,0,1|1,1,0]=4 1805 B17R1.14627 C[Si](C)(C)CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000037933 [0,1,0,0,0,1|1,1,0]=4 1806 B17R1.76695 CC(C)(C)CNCC(=O)c1c(cccc1Cl)Cl 2230a_100000743828_100012340516 [0,1,0,0,0,1|0,0,2]=4 1807 B17R1.76695 CC(C)(C)CNCC(=O)c1c(cccc1Cl)F 2230a_100000743828_100011219195 [0,1,0,0,0,1|0,0,2]=4 1808 B17R1.76695 C[C@@H](NCCC(C)(C)C)c1c(cccc1Cl)F 2230a_100011997870_100000755188 [0,1,0,0,0,1|2,0,0]=4 1809 B17R1.76695 C[C@@H](NCCC(C)(C)C)c1c(cccc1Cl)F 34a_100011997870_100000755188 [0,1,0,0,0,1|2,0,0]=4 1810 B17R1.76695 C[C@@H](OCCC(C)(C)C)c1c(cccc1Cl)F 34a_200012136785_100000755188 [0,1,0,0,0,1|2,0,0]=4 1811 B17R1.76695 C[C@@H](OCCC(C)(C)C)c1c(cccc1Cl)F 7a_200012136785_100000755188 [0,1,0,0,0,1|2,0,0]=4 1812 B17R1.96872 CC(C)(C)CNCC(=O)c1cc(ccc1Cl)Cl 2230a_100000743828_100000183120 [0,1,0,0,0,1|0,0,2]=4 1813 B17R1.96872 CC(C)(C)NCCS(=O)c1cc(ccc1Cl)Cl 2230a_100000715429_100000047736 [0,1,0,0,0,1|1,0,1]=4 1814 B17R1.96872 CC(NCCC(C)(C)C)c1cc(ccc1Cl)F 269862a_100000738805_100011218795 [0,1,0,0,0,1|2,0,0]=4 1815 B17R1.180776 CC(C)(C)CCNC(CO)c1ccccc1Cl 2230a_100138412506_100000755188 [0,1,0,0,0,1|1,0,0]=3 1816 B17R1.180776 CC(C)(C)CCNC(CO)c1ccccc1Cl 34a_100138412506_100000755188 [0,1,0,0,0,1|1,0,0]=3 1817 B17R1.180776 CC(C)(C)CCNC(CO)c1ccncc1Cl 2230a_200020642286_100000755188 [0,1,0,0,0,1|2,0,0]=4 1818 B17R1.180776 CC(C)(C)CCN[C@@H](CO)c1ccccc1F 2230a_100009818778_100000755188 [0,1,0,0,0,1|1,1,0]=4 1819 B17R1.180776 CC(C)(C)CCN[C@@H](CO)c1ccccc1F 34a_100009818778_100000755188 [0,1,0,0,0,1|1,1,0]=4 1820 B17R1.180776 CC(C)(C)CCN[C@H](CO)c1ccccc1Br 2230a_100161155918_100000755188 [0,1,0,0,0,1|1,1,0]=4 1821 B17R1.180776 CC(C)(C)CCN[C@H](CO)c1ccccc1Br 34a_100161155918_100000755188 [0,1,0,0,0,1|1,1,0]=4 1822 B17R1.180776 CC(C)(C)CCOC(C#N)c1ccccc1Cl 7a_200011294979_100000755188 [0,1,0,0,0,1|2,0,0]=4 1823 B17R1.180776 CC(C)(C)CCOC(CN)c1ccccc1Cl 34a_200000759403_100000755188 [0,1,0,0,0,1|2,0,0]=4 1824 B17R1.180776 CC(C)(O)CCNC(CO)c1ccccc1Cl 2230a_100138412506_100000702414 [0,1,0,0,0,1|2,0,0]=4 1825 B17R1.180776 CC(C)(O)CCNC(CO)c1ccccc1Cl 34a_100138412506_100000702414 [0,1,0,0,0,1|2,0,0]=4 1826 B17R1.180776 CCC(NCCC(C)(C)C)c1ccccc1Cl 269862a_100000738805_100011400563 [0,1,0,0,0,1|2,0,0]=4 1827 B17R1.180776 CC[C@H](NCCC(C)(C)C)c1ccccc1Cl 2230a_200016987949_100000755188 [0,1,0,0,0,1|2,0,0]=4 1828 B17R1.180776 CC[C@H](NCCC(C)(C)C)c1ccccc1Cl 34a_200016987949_100000755188 [0,1,0,0,0,1|2,0,0]=4 1829 B17R1.180776 C[N+](C)(C)CCNC(CO)c1ccccc1Cl 34a_100138412506_100000085578 [0,1,0,0,0,1|2,0,0]=4 1830 B17R1.180776 C[Si](C)(C)CCNC(CO)c1ccccc1Cl 2230a_100138412506_200000733723 [0,1,0,0,0,1|1,1,0]=4 1831 B17R1.180776 C[Si](C)(C)CCNC(CO)c1ccccc1Cl 34a_100138412506_200000733723 [0,1,0,0,0,1|1,1,0]=4 1832 B17R1.8870 CC(C)(C)NCC(=O)Nc1cccc(c1Cl)Cl 2230a_100000715429_100000183544 [0,1,0,0,0,1|0,0,2]=4 1833 B17R1.11256 CC(C)(C)NC(=O)C(O)Cc1ccccc1Br 240690a_100000715429_100012382637 [0,1,0,0,0,1|0,1,1]=4 1834 B17R1.11256 CC(C)(C)NC(=O)C(O)Cc1ccccc1Cl 240690a_100000715429_100000703902 [0,1,0,0,0,1|0,0,1]=3 1835 B17R1.11256 CC(C)(C)NC(=O)C(O)Cc1ccccc1Cl 527a_100000715429_100000703902 [0,1,0,0,0,1|0,0,1]=3 1836 B17R1.11256 CC(NC(C)(C)C)C(=O)Nc1ccccc1Cl 2230a_100000715429_100000230270 [0,1,0,0,0,1|0,0,2]=4 1837 B17R1.11256 CC(Oc1ccccc1Cl)C(=O)NC(C)(C)C 11a_100000715429_100000191201 [0,1,0,0,0,1|1,0,1]=4 1838 B17R1.11256 CC(Oc1ccccc1Cl)C(=O)NC(C)(C)C 1626a_100000715429_100000191201 [0,1,0,0,0,1|1,0,1]=4 1839 B17R1.11256 CC(Oc1ccccc1Cl)C(=O)NC(C)(C)C 240690a_100000715429_100000191201 [0,1,0,0,0,1|1,0,1]=4 1840 B17R1.11256 CC(Oc1ccccc1Cl)C(=O)NC(C)(C)C 527a_100000715429_100000191201 [0,1,0,0,0,1|1,0,1]=4 1841 B17R1.11256 CC(Oc1ccccc1Cl)C(=O)NC(C)(C)C 7a_100000210172_100000230285 [0,1,0,0,0,1|1,0,1]=4 1842 B17R1.11256 CC(Sc1ccccc1Cl)C(=O)NC(C)(C)C 11a_100000715429_100000181065 [0,1,0,0,0,1|1,0,1]=4 1843 B17R1.11256 CC(Sc1ccccc1Cl)C(=O)NC(C)(C)C 1626a_100000715429_100000181065 [0,1,0,0,0,1|1,0,1]=4 1844 B17R1.11256 CC(Sc1ccccc1Cl)C(=O)NC(C)(C)C 240690a_100000715429_100000181065 [0,1,0,0,0,1|1,0,1]=4 1845 B17R1.11256 CC(Sc1ccccc1Cl)C(=O)NC(C)(C)C 527a_100000715429_100000181065 [0,1,0,0,0,1|1,0,1]=4 1846 B17R1.11256 CC(Sc1ccccc1Cl)C(=O)NC(C)(C)C 62a_100000230285_100000764095 [0,1,0,0,0,1|1,0,1]=4 1847 B17R1.11256 CC(Sc1ccccc1Cl)C(=O)NC(C)(C)C 62a_100000764095_100000230285 [0,1,0,0,0,1|1,0,1]=4 1848 B17R1.13320 C#CC(C)(C)NCC(C)Oc1ccccc1Cl 34a_100000763343_100000038118 [0,1,0,0,0,1|1,0,1]=4 1849 B17R1.13320 CC(C)(CO)NCC(=O)Nc1ccccc1Cl 2230a_100000210608_100000182448 [0,1,0,0,0,1|0,0,2]=4 1850 B17R1.13320 CC(CNC(C)(C)C#N)Oc1ccccc1Cl 34a_100000763343_100011162410 [0,1,0,0,0,1|1,0,1]=4 1851 B17R1.13320 CCC(C)(C)NCC(=O)Nc1ccccc1Cl 2230a_100000211385_100000182448 [0,1,0,0,0,1|0,0,2]=4 1852 B17R1.14138 CN(CC(=O)Nc1ccccc1Cl)C(C)(C)C 269982a_100000683292_100000210625 [0,1,0,0,0,1|0,0,2]=4 1853 B17R1.14138 CN(CC(=O)Nc1ccccc1Cl)C(C)(C)C 269982a_100011215553_100000182448 [0,1,0,0,0,1|0,0,2]=4 1854 B17R1.65969 CC(C)(C)NCC(=O)Nc1ccc(cc1Cl)Br 2230a_100000715429_100000189098 [0,1,0,0,0,1|0,0,2]=4 1855 B17R1.65969 CC(C)(C)NCC(=O)Nc1ccc(cc1Cl)Cl 2230a_100000715429_100000183625 [0,1,0,0,0,1|0,0,2]=4 1856 B17R1.65969 Cc1ccc(c(c1)Cl)NC(=O)CNC(C)(C)C 2230a_100000715429_100000183498 [0,1,0,0,0,1|0,0,2]=4 1857 B17R1.76682 CC(C)(C)NCC(=O)Nc1c(cccc1Cl)Cl 2230a_100000715429_100000182350 [0,1,0,0,0,1|0,0,2]=4 1858 B17R1.96785 CC(C)(C)NCC(=O)Nc1cc(ccc1Cl)Cl 2230a_100000715429_100000183483 [0,1,0,0,0,1|0,0,2]=4 1859 B17R1.121581 CC(C)(C)CNC(CO)Cc1ccccc1Cl 270004a_100012001541_100011204126 [0,1,0,0,0,1|2,0,0]=4 1860 B17R1.121581 CC(C)(C)CNC(CO)Cc1ccccc1Cl 34a_100012001541_100011219605 [0,1,0,0,0,1|2,0,0]=4 1861 B17R1.8863 CC(C)(C)NC(=O)C(O)c1cccc(c1F)F 240690a_100000715429_200011215923 [0,2,0,0,0,0|0,1,1]=4 1862 B17R1.96665 CC(C)(C)NCC(=O)c1c(ccc(c1Cl)Cl)F 2230a_100000715429_100010177843 [0,2,0,0,0,0|0,0,2]=4 1863 B17R1.96665 CC(C)(C)NCC(=O)c1c(ccc(c1Cl)F)Cl 2230a_100000715429_100011228309 [0,2,0,0,0,0|0,0,2]=4 1864 B17R1.96665 CC(C)(C)NCC(=O)c1c(ccc(c1F)Br)Cl 2230a_100000715429_100011068855 [0,2,0,0,0,0|0,0,2]=4 1865 B17R1.3125 CCC(C(=O)NC(C)(C)C)c1ccccc1Cl 11a_100000715429_100011667493 [0,2,0,0,0,0|1,0,1]=4 1866 B17R1.3125 CCC(C(=O)NC(C)(C)C)c1ccccc1Cl 1626a_100000715429_100011667493 [0,2,0,0,0,0|1,0,1]=4 1867 B17R1.3125 CCC(C(=O)NC(C)(C)C)c1ccccc1Cl 240690a_100000715429_100011667493 [0,2,0,0,0,0|1,0,1]=4 1868 B17R1.3125 CCC(C(=O)NC(C)(C)C)c1ccccc1Cl 527a_100000715429_100011667493 [0,2,0,0,0,0|1,0,1]=4 1869 B17R1.3125 COC(C(=O)NC(C)(C)C)c1ccccc1C 11a_100000715429_100012277922 [0,2,0,0,0,0|1,0,1]=4 1870 B17R1.3125 COC(C(=O)NC(C)(C)C)c1ccccc1C 1626a_100000715429_100012277922 [0,2,0,0,0,0|1,0,1]=4 1871 B17R1.3125 COC(C(=O)NC(C)(C)C)c1ccccc1C 240690a_100000715429_100012277922 [0,2,0,0,0,0|1,0,1]=4 1872 B17R1.3125 COC(C(=O)NC(C)(C)C)c1ccccc1C 527a_100000715429_100012277922 [0,2,0,0,0,0|1,0,1]=4 1873 B17R1.3125 COC(C(=O)NC(C)(C)C)c1ccccc1F 11a_100000715429_100012277919 [0,2,0,0,0,0|0,1,1]=4 1874 B17R1.3125 COC(C(=O)NC(C)(C)C)c1ccccc1F 1626a_100000715429_100012277919 [0,2,0,0,0,0|0,1,1]=4 1875 B17R1.3125 COC(C(=O)NC(C)(C)C)c1ccccc1F 240690a_100000715429_100012277919 [0,2,0,0,0,0|0,1,1]=4 1876 B17R1.3125 COC(C(=O)NC(C)(C)C)c1ccccc1F 527a_100000715429_100012277919 [0,2,0,0,0,0|0,1,1]=4 1877 B17R1.9069 CC(C(=O)NC(C)(C)C)c1ccc(cc1Cl)F 11a_100000715429_200012359452 [0,2,0,0,0,0|1,0,1]=4 1878 B17R1.9069 CC(C(=O)NC(C)(C)C)c1ccc(cc1Cl)F 1626a_100000715429_200012359452 [0,2,0,0,0,0|1,0,1]=4 1879 B17R1.9069 CC(C(=O)NC(C)(C)C)c1ccc(cc1Cl)F 240690a_100000715429_200012359452 [0,2,0,0,0,0|1,0,1]=4 1880 B17R1.9069 CC(C(=O)NC(C)(C)C)c1ccc(cc1Cl)F 527a_100000715429_200012359452 [0,2,0,0,0,0|1,0,1]=4 1881 B17R1.9069 CC(C)(C)NC(=O)C(O)c1ccc(cc1F)Br 240690a_100000715429_100011356516 [0,2,0,0,0,0|0,1,1]=4 1882 B17R1.9069 CC(C)(C)NC(=O)C(O)c1ccc(cc1F)F 240690a_100000715429_100011216397 [0,2,0,0,0,0|0,1,1]=4 1883 B17R1.9102 CC(C)(C)NC(=O)C(O)c1cc(ccc1F)F 240690a_100000715429_200011216140 [0,2,0,0,0,0|0,1,1]=4 1884 B17R1.9102 Cc1ccc(c(c1)C(O)C(=O)NC(C)(C)C)C 240690a_100000715429_100011497465 [0,2,0,0,0,0|1,0,1]=4 1885 B17R1.11259 CC(C(=O)N(C)C(C)(C)C)c1ccccc1Cl 11a_100011215553_100011667492 [0,2,0,0,0,0|1,0,1]=4 1886 B17R1.11259 CC(C(=O)N(C)C(C)(C)C)c1ccccc1Cl 1626a_100011215553_100011667492 [0,2,0,0,0,0|1,0,1]=4 1887 B17R1.11259 CC(C(=O)N(C)C(C)(C)C)c1ccccc1Cl 240690a_100011215553_100011667492 [0,2,0,0,0,0|1,0,1]=4 1888 B17R1.11259 CC(C(=O)c1ccccc1Cl)N(C)C(C)(C)C 269982a_100011215553_100010255250 [0,2,0,0,0,0|0,0,2]=4 1889 B17R1.11259 CN(C(=O)C(O)c1ccccc1Br)C(C)(C)C 240690a_100011215553_200011356456 [0,2,0,0,0,0|0,1,1]=4 1890 B17R1.11259 CN(C(=O)C(O)c1ccccc1Cl)C(C)(C)C 240690a_100011215553_100011217820 [0,2,0,0,0,0|0,0,1]=3 1891 B17R1.11259 CN(C(=O)C(O)c1ccccc1F)C(C)(C)C 240690a_100011215553_100011219519 [0,2,0,0,0,0|0,1,1]=4 1892 B17R1.13396 C#CC(C)(C)NC(=O)C(O)c1ccccc1Cl 240690a_100000054563_100011217820 [0,2,0,0,0,0|0,0,2]=4 1893 B17R1.13396 CC(C(=O)NC(C)(C)CO)c1ccccc1Cl 240690a_100000210608_100011667492 [0,2,0,0,0,0|1,0,1]=4 1894 B17R1.13396 CC(C(=O)NC(C)(C)CO)c1ccccc1Cl 527a_100020618417_100011667492 [0,2,0,0,0,0|1,0,1]=4 1895 B17R1.13396 CC(C)(CO)NC(=O)C(O)c1ccccc1Br 240690a_100000210608_200011356456 [0,2,0,0,0,0|0,1,1]=4 1896 B17R1.13396 CC(C)(CO)NC(=O)C(O)c1ccccc1Cl 240690a_100000210608_100011217820 [0,2,0,0,0,0|0,0,1]=3 1897 B17R1.13396 CC(C)(CO)NC(=O)C(O)c1ccccc1F 240690a_100000210608_100011219519 [0,2,0,0,0,0|0,1,1]=4 1898 B17R1.13396 CC(NC(C)(C)CO)C(=O)c1ccccc1Cl 2230a_100000210608_100010255250 [0,2,0,0,0,0|0,0,2]=4 1899 B17R1.13396 CCC(C)(C)NC(=O)C(C)c1ccccc1Cl 11a_100000211385_100011667492 [0,2,0,0,0,0|1,0,1]=4 1900 B17R1.13396 CCC(C)(C)NC(=O)C(C)c1ccccc1Cl 1626a_100000211385_100011667492 [0,2,0,0,0,0|1,0,1]=4 1901 B17R1.13396 CCC(C)(C)NC(=O)C(C)c1ccccc1Cl 240690a_100000211385_100011667492 [0,2,0,0,0,0|1,0,1]=4 1902 B17R1.13396 CCC(C)(C)NC(=O)C(C)c1ccccc1Cl 527a_100000211385_100011667492 [0,2,0,0,0,0|1,0,1]=4 1903 B17R1.13396 CCC(C)(C)NC(=O)C(O)c1ccccc1Br 240690a_100000211385_200011356456 [0,2,0,0,0,0|0,1,1]=4 1904 B17R1.13396 CCC(C)(C)NC(=O)C(O)c1ccccc1Cl 240690a_100000211385_100011217820 [0,2,0,0,0,0|0,0,1]=3 1905 B17R1.13396 CCC(C)(C)NC(=O)C(O)c1ccccc1F 240690a_100000211385_100011219519 [0,2,0,0,0,0|0,1,1]=4 1906 B17R1.13396 CCC(C)(C)NC(C)C(=O)c1ccccc1Cl 2230a_100000211385_100010255250 [0,2,0,0,0,0|0,0,2]=4 1907 B17R1.14375 CC(C)(C)NC(=O)C(O)c1c(cccc1F)F 240690a_100000715429_200011216624 [0,2,0,0,0,0|0,1,1]=4 1908 B17R1.77083 CC(C)(C)NC(=O)C(F)(F)c1ccccc1Cl 11a_100000715429_100011667290 [0,2,0,0,0,0|1,0,1]=4 1909 B17R1.77083 CC(C)(C)NC(=O)C(F)(F)c1ccccc1Cl 1626a_100000715429_100011667290 [0,2,0,0,0,0|1,0,1]=4 1910 B17R1.77083 CC(C)(C)NC(=O)C(F)(F)c1ccccc1Cl 240690a_100000715429_100011667290 [0,2,0,0,0,0|1,0,1]=4 1911 B17R1.77083 CC(C)(C)NC(=O)C(F)(F)c1ccccc1Cl 527a_100000715429_100011667290 [0,2,0,0,0,0|1,0,1]=4 1912 B17R1.9107 CC(C)(C)C(=O)C[C@@H](O)c1ccc(cc1F)F 1458a_106744555173_100000761269 [0,2,0,0,0,0|1,1,0]=4 1913 B17R1.9107 CC(C)(C)C(=O)C[C@H](O)c1ccc(cc1Cl)Cl 1458a_106744555173_100000761231 [0,2,0,0,0,0|1,0,0]=3 1914 B17R1.9107 CC(C)(F)C(=O)C[C@H](O)c1ccc(cc1Cl)Cl 1458a_100000765255_100000761231 [0,2,0,0,0,0|2,0,0]=4 1915 B17R1.9107 CC(C)(O)C(=O)C[C@H](O)c1ccc(cc1Cl)Cl 1458a_100000242741_100000761231 [0,2,0,0,0,0|2,0,0]=4 1916 B17R1.9107 CN(CC(=O)c1ccc(cc1Cl)Cl)C(C)(C)C 269982a_100011215553_100011218845 [0,2,0,0,0,0|0,0,2]=4 1917 B17R1.9107 CN(CC(=O)c1ccc(cc1Cl)F)C(C)(C)C 269982a_100011215553_100012056422 [0,2,0,0,0,0|0,0,2]=4 1918 B17R1.9107 CN(C[C@@H](O)c1ccc(cc1F)F)C(C)(C)C 269982a_100011215553_100000761269 [0,2,0,0,0,0|0,1,0]=3 1919 B17R1.9107 CN(C[C@H](O)c1ccc(cc1Cl)Cl)C(C)(C)C 269982a_100011215553_100000761231 [0,2,0,0,0,0|0,0,0]=2 1920 B17R1.65998 CC(C)(C)NCC(F)(F)c1ccc(cc1F)F 34a_100025771782_100000210625 [0,2,0,0,0,0|1,1,0]=4 1921 B17R1.90166 C#CC(C)(C)NC[C@@H](O)c1ccc(cc1F)F 34a_100000054563_100000761269 [0,2,0,0,0,0|0,1,1]=4 1922 B17R1.90166 C#CC(C)(C)NC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000054563_100000761231 [0,2,0,0,0,0|0,0,1]=3 1923 B17R1.90166 C#CC(C)(C)OC[C@H](O)c1ccc(cc1Cl)Cl 34a_100000189450_100000761231 [0,2,0,0,0,0|1,0,1]=4 1924 B17R1.90166 C#CC(C)(C)OC[C@H](O)c1ccc(cc1Cl)Cl 7a_100000189450_100000761231 [0,2,0,0,0,0|1,0,1]=4 1925 B17R1.90166 C#CC(C)(C)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000038118_100000761231 [0,2,0,0,0,0|1,0,1]=4 1926 B17R1.90166 C#CC(C)(C)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000038118 [0,2,0,0,0,0|1,0,1]=4 1927 B17R1.90166 C=CC(C)(C)OC[C@H](O)c1ccc(cc1Cl)Cl 34a_100011215311_100000761231 [0,2,0,0,0,0|1,0,1]=4 1928 B17R1.90166 C=CC(C)(C)OC[C@H](O)c1ccc(cc1Cl)Cl 7a_100011215311_100000761231 [0,2,0,0,0,0|1,0,1]=4 1929 B17R1.90166 CC(C)(C#N)OC[C@H](O)c1ccc(cc1Cl)Cl 34a_200015195151_100000761231 [0,2,0,0,0,0|1,0,1]=4 1930 B17R1.90166 CC(C)(C#N)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100011162410 [0,2,0,0,0,0|1,0,1]=4 1931 B17R1.90166 CC(C)(C#N)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100011162410_100000761231 [0,2,0,0,0,0|1,0,1]=4 1932 B17R1.90166 CC(C)(CCl)OC[C@@H](O)c1ccc(cc1F)F 7a_100000764493_100000761269 [0,2,0,0,0,0|1,1,0]=4 1933 B17R1.90166 CC(C)(CCl)OC[C@H](O)c1ccc(cc1Cl)Cl 7a_100000764493_100000761231 [0,2,0,0,0,0|1,0,0]=3 1934 B17R1.90166 CC(C)(CO)NCC(=O)c1ccc(cc1Cl)Cl 2230a_100000210608_100011218845 [0,2,0,0,0,0|0,0,2]=4 1935 B17R1.90166 CC(C)(CO)NCC(=O)c1ccc(cc1Cl)F 2230a_100000210608_100012056422 [0,2,0,0,0,0|0,0,2]=4 1936 B17R1.90166 CC(C)(CO)NC[C@@H](O)c1ccc(cc1F)F 2230a_100000210608_100000761269 [0,2,0,0,0,0|0,1,0]=3 1937 B17R1.90166 CC(C)(CO)NC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000210608_100000761231 [0,2,0,0,0,0|0,0,0]=2 1938 B17R1.90166 CCC(C)(C)NCC(=O)c1ccc(cc1Cl)Cl 2230a_100000211385_100011218845 [0,2,0,0,0,0|0,0,2]=4 1939 B17R1.90166 CCC(C)(C)NCC(=O)c1ccc(cc1Cl)F 2230a_100000211385_100012056422 [0,2,0,0,0,0|0,0,2]=4 1940 B17R1.90166 CCC(C)(C)NC[C@@H](O)c1ccc(cc1F)F 2230a_100000211385_100000761269 [0,2,0,0,0,0|0,1,0]=3 1941 B17R1.90166 CCC(C)(C)NC[C@H](O)c1ccc(cc1Cl)Cl 2230a_100000211385_100000761231 [0,2,0,0,0,0|0,0,0]=2 1942 B17R1.90166 CCC(C)(C)OC[C@@H](O)c1ccc(cc1F)F 7a_100000210230_100000761269 [0,2,0,0,0,0|1,1,0]=4 1943 B17R1.90166 CCC(C)(C)OC[C@H](O)c1ccc(cc1Cl)Cl 7a_100000210230_100000761231 [0,2,0,0,0,0|1,0,0]=3 1944 B17R1.90166 CCC(C)(C)SC[C@@H](O)c1ccc(cc1F)F 62a_100000032637_100000761269 [0,2,0,0,0,0|1,1,0]=4 1945 B17R1.90166 CCC(C)(C)SC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_100000032637 [0,2,0,0,0,0|1,1,0]=4 1946 B17R1.90166 CCC(C)(C)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000032637_100000761231 [0,2,0,0,0,0|1,0,0]=3 1947 B17R1.90166 CCC(C)(C)SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_100000032637 [0,2,0,0,0,0|1,0,0]=3 1948 B17R1.248020 CC(C)(C)CN[C@H](CO)c1ccc(cc1Cl)F 270004a_102531768864_100011204126 [0,2,0,0,0,0|2,0,0]=4 1949 B17R1.248020 CC(C)(C)CN[C@H](CO)c1ccc(cc1Cl)F 34a_102531768864_100011219605 [0,2,0,0,0,0|2,0,0]=4 1950 B17R1.9083 CN(CC(=O)c1cc(ccc1Cl)Cl)C(C)(C)C 269982a_100011215553_100000183120 [0,2,0,0,0,0|0,0,2]=4 1951 B17R1.9083 CN(CC(=O)c1cc(ccc1Cl)F)C(C)(C)C 269982a_100011215553_200010187420 [0,2,0,0,0,0|0,0,2]=4 1952 B17R1.13303 CC(C)(CO)NCC(=O)c1cc(ccc1Cl)Cl 2230a_100000210608_100000183120 [0,2,0,0,0,0|0,0,2]=4 1953 B17R1.13303 CCC(C)(C)NCC(=O)c1cc(ccc1Cl)Cl 2230a_100000211385_100000183120 [0,2,0,0,0,0|0,0,2]=4 1954 B17R1.706 CC(C)(C)N(CF)CC(O)c1ccccc1Cl 269982a_100016988574_100015361967 [0,2,0,0,0,0|0,0,0]=2 1955 B17R1.706 CCN(CC(=O)c1ccccc1Cl)C(C)(C)C 269982a_100011200764_100000211432 [0,2,0,0,0,0|0,0,2]=4 1956 B17R1.706 CCN(CC(O)c1ccccc1Cl)C(C)(C)C 2230a_100016988574_100000210202 [0,2,0,0,0,0|0,0,0]=2 1957 B17R1.706 CCN(CC(O)c1ccccc1Cl)C(C)(C)C 269982a_100016988574_100000204670 [0,2,0,0,0,0|0,0,0]=2 1958 B17R1.13386 CCC(C)(C)N(C)CC(=O)c1ccccc1Cl 269982a_200000755171_100000211432 [0,2,0,0,0,0|0,0,2]=4 1959 B17R1.13386 CN(CC(=O)c1ccccc1Cl)C(C)(C)CO 269982a_100015204102_100000211432 [0,2,0,0,0,0|0,0,2]=4 1960 B17R1.16780 CC(C)(C)C(=O)NC(CO)c1ccccc1Cl 240690a_100138412506_106744555173 [0,2,0,0,0,0|2,0,0]=4 1961 B17R1.16780 CC(C)(C)C(=O)NC(CO)c1ccccc1Cl 527a_100138412506_106744555173 [0,2,0,0,0,0|2,0,0]=4 1962 B17R1.76323 CN(CC(=O)c1c(cccc1Cl)Cl)C(C)(C)C 269982a_100011215553_100012340516 [0,2,0,0,0,0|0,0,2]=4 1963 B17R1.76323 CN(CC(=O)c1c(cccc1Cl)F)C(C)(C)C 269982a_100011215553_100011219195 [0,2,0,0,0,0|0,0,2]=4 1964 B17R1.77086 CC(C)(NCC(O)c1ccccc1Br)C(=O)N 2230a_100011236429_100000702505 [0,2,0,0,0,0|0,1,1]=4 1965 B17R1.77086 CC(C)(NCC(O)c1ccccc1Cl)C(=O)N 2230a_200000759403_100000702505 [0,2,0,0,0,0|0,0,1]=3 1966 B17R1.77086 CC(C)(NCC(O)c1ccccc1Cl)C(=O)N 34a_200000759403_100000702505 [0,2,0,0,0,0|0,0,1]=3 1967 B17R1.77086 OC(CNC(F)(F)C(F)F)c1ccccc1Cl 34a_200000759403_100000034128 [0,2,0,0,0,0|2,0,0]=4 1968 B17R1.121600 CC(C)(CO)CNC(CO)c1ccccc1Cl 34a_100138412506_100009813988 [0,2,0,0,0,0|2,0,0]=4 1969 B17R1.121600 COC(C)(C)CNC(CO)c1ccccc1Cl 34a_100138412506_100000701081 [0,2,0,0,0,0|2,0,0]=4 1970 B17R1.121600 CSC(C)(C)CNC(CO)c1ccccc1Cl 270004a_100138412506_100009845794 [0,2,0,0,0,0|2,0,0]=4 1971 B17R1.300037 CC(C)(CO)NCC(=O)c1c(cccc1Cl)Cl 2230a_100000210608_100012340516 [0,2,0,0,0,0|0,0,2]=4 1972 B17R1.300037 CC(C)(CO)NCC(=O)c1c(cccc1Cl)F 2230a_100000210608_100011219195 [0,2,0,0,0,0|0,0,2]=4 1973 B17R1.300037 CCC(C)(C)NCC(=O)c1c(cccc1Cl)Cl 2230a_100000211385_100012340516 [0,2,0,0,0,0|0,0,2]=4 1974 B17R1.300037 CCC(C)(C)NCC(=O)c1c(cccc1Cl)F 2230a_100000211385_100011219195 [0,2,0,0,0,0|0,0,2]=4 1975 B17R1.155155 COc1cccc(c1C(=O)CNC(C)(C)C)Cl 2230a_100000715429_100010768284 [0,2,0,0,0,0|0,0,2]=4 1976 B17R1.9011 CC(C)(C)CN[C@H](C(=O)O)c1ccccc1Cl 269956a_100009815989_100011219605 [0,2,0,0,0,0|2,0,0]=4 1977 B17R1.176388 CC(C)(C)CNC(CCO)c1ccccc1Cl 270004a_100011661560_100011204126 [0,2,0,0,0,0|2,0,0]=4 1978 B17R1.176388 CC(C)(C)CNC(CCO)c1ccccc1Cl 34a_100011661560_100011219605 [0,2,0,0,0,0|2,0,0]=4 1979 B17R1.176388 CC(C)(C)NCC(OCF)c1ccccc1Cl 34a_100016988574_100015361967 [0,2,0,0,0,0|0,0,0]=2 1980 B17R1.176388 CC(C)(C)NCC(OCF)c1ccccc1Cl 7a_100016988574_100015361967 [0,2,0,0,0,0|0,0,0]=2 1981 B17R1.176388 CCOC(CNC(C)(C)C)c1ccccc1Cl 34a_100016988574_100000210202 [0,2,0,0,0,0|0,0,0]=2 1982 B17R1.176388 CCOC(CNC(C)(C)C)c1ccccc1Cl 7a_100016988574_100000210202 [0,2,0,0,0,0|0,0,0]=2 1983 B15R1.9108 CC(C)(C)NC[C@@H](O)Cc1ccccc1 2230a_100000715429_100000729385 [0,0,1,1,0,0|1,0,1]=4 1984 B15R2.6 CC(C)NCC1CCc2c1cccc2 2230a_100020632452_100000210206 [1,0,0,1,0,0|2,0,0]=4 1985 B15R2.6 CC(C)NCC1CCc2c1cccc2 34a_100020632452_100000210206 [1,0,0,1,0,0|2,0,0]=4 1986 B15R2.629 CC(C)NC1Cc2ccccc2C1O 2230a_100138425928_100000211646 [1,0,0,1,0,0|1,0,0]=3 1987 B15R2.629 CC(C)NC1Cc2ccccc2C1O 34a_100138425928_100000211646 [1,0,0,1,0,0|1,0,0]=3 1988 B15R2.629 CC(C)OC1Cc2ccccc2C1O 34a_100000212225_100000211646 [1,0,0,1,0,0|2,0,0]=4 1989 B15R2.629 CC(C)SC1Cc2ccccc2C1O 62a_100000210206_100000211646 [1,0,0,1,0,0|2,0,0]=4 1990 B15R2.629 CC(C)SC1Cc2ccccc2C1O 62a_100000211646_100000210206 [1,0,0,1,0,0|2,0,0]=4 1991 B15R2.8795 CC(C)NC1CC1c2ccccc2F 2230a_100000753450_100000210206 [1,0,0,1,0,0|1,1,0]=4 1992 B15R2.8795 CC(C)NC1CC1c2ccccc2F 34a_100000753450_100000210206 [1,0,0,1,0,0|1,1,0]=4 1993 B15R2.8805 NC(COC1CC1)c2ccccc2Cl 34a_100138412506_100000211595 [1,0,0,1,0,0|2,0,0]=4 1994 B15R2.8805 O=C(CNC1CC1)c2ccccc2Cl 34a_100000212008_100000211432 [1,0,0,1,0,0|0,0,2]=4 1995 B15R2.8805 OC(CNC1CC1)c2ccccc2Cl 34a_200000759403_100000211595 [1,0,0,1,0,0|0,0,0]=2 1996 B15R2.14951 CC1CN(Cc2c1cccc2)C(C)C 2230a_100015190047_100000210206 [1,0,0,1,0,0|2,0,0]=4 1997 B15R2.14951 CC1CN(Cc2c1cccc2)C(C)C 269982a_100015190047_100000210206 [1,0,0,1,0,0|2,0,0]=4 1998 B15R2.14951 CC1CN(Cc2c1cccc2)C(C)C 34a_100015190047_100000210206 [1,0,0,1,0,0|2,0,0]=4 1999 B15R2.4429 CC(C)(C)NC1Cc2ccccc2C1 34a_100000753258_100000210625 [1,0,0,1,0,0|1,0,0]=3 2000 B15R2.4429 CC(C)(C)OC1Cc2ccccc2C1 34a_100011215286_100000210625 [1,0,0,1,0,0|2,0,0]=4 2001 B15R2.4429 CC(C)(C)OC1Cc2ccccc2C1 34a_100015890283_100000753484 [1,0,0,1,0,0|2,0,0]=4 2002 B15R2.4429 CC(C)(C)OC1Cc2ccccc2C1 7a_100015890283_100000753484 [1,0,0,1,0,0|2,0,0]=4 2003 B15R2.4429 CC(C)(C)SC1Cc2ccccc2C1 62a_100000211941_100000753484 [1,0,0,1,0,0|2,0,0]=4 2004 B15R2.4441 CC(C)(C)N1CCc2ccccc2C1 269982a_100000188457_100000210625 [1,0,0,1,0,0|1,0,0]=3 2005 B15R2.4441 CC(C)(C)N1CCc2ccccc2C1 34a_100000188457_100000210625 [1,0,0,1,0,0|1,0,0]=3 2006 B15R2.4441 CC(C)(C)N1CCc2cccnc2C1 269982a_100015206102_100000210625 [1,0,0,1,0,0|2,0,0]=4 2007 B15R2.4441 CC(C)(C)N1CCc2ccncc2C1 269982a_100015190008_100000210625 [1,0,0,1,0,0|2,0,0]=4 2008 B15R2.4441 CC(C)(C)N1CCc2cnccc2C1 269982a_100020645890_100000210625 [1,0,0,1,0,0|2,0,0]=4 2009 B15R2.4441 CC(C)(C)N1CCc2ncccc2C1 269982a_100000699647_100000210625 [1,0,0,1,0,0|2,0,0]=4 2010 B15R2.8834 CC1(CC1)CNCc2ccccc2Cl 207a_100000766693_100000210073 [1,0,0,1,0,0|2,0,0]=4 2011 B15R2.8834 CC1(CC1)CNCc2ccccc2Cl 2230a_100000766693_100000187162 [1,0,0,1,0,0|2,0,0]=4 2012 B15R2.8834 CC1(CC1)CNCc2ccccc2Cl 26a_100000766693_100000210172 [1,0,0,1,0,0|2,0,0]=4 2013 B15R2.8834 CC1(CC1)CNCc2ccccc2Cl 270004a_100000766693_100000210073 [1,0,0,1,0,0|2,0,0]=4 2014 B15R2.8834 CC1(CC1)COCc2ccccc2Cl 7a_100000698024_100000187162 [1,0,0,1,0,0|2,0,0]=4 2015 B15R2.8834 CC1(CC1)NCCc2ccccc2Br 2230a_100000757604_100012161201 [1,0,0,1,0,0|0,1,0]=3 2016 B15R2.8834 CC1(CC1)NCCc2ccccc2Cl 2230a_100000757604_100011713703 [1,0,0,1,0,0|0,0,0]=2 2017 B15R2.8834 CC1(CC1)NCCc2ccccc2F 2230a_100000757604_100011713696 [1,0,0,1,0,0|0,1,0]=3 2018 B15R2.8834 CC1(CC1)OCCc2ccccc2Br 7a_100011725673_100012161201 [1,0,0,1,0,0|1,1,0]=4 2019 B15R2.8834 CC1(CC1)OCCc2ccccc2Cl 7a_100011725673_100011713703 [1,0,0,1,0,0|1,0,0]=3 2020 B15R2.8834 CC1(CC1)OCCc2ccccc2F 7a_100011725673_100000720011 [1,0,0,1,0,0|1,1,0]=4 2021 B15R2.8834 CC1(CC1)OCCc2ccccc2O 7a_100011725673_100000722297 [1,0,0,1,0,0|2,0,0]=4 2022 B15R2.8834 Cc1ccccc1CCNC2(CC2)C 2230a_100000757604_100011713688 [1,0,0,1,0,0|1,0,0]=3 2023 B15R2.8834 Cc1ccccc1CCOC2(CC2)C 7a_100011725673_100011713688 [1,0,0,1,0,0|2,0,0]=4 2024 B15R2.14895 CC1(CN(C1)Cc2ccccc2Cl)C 2230a_100000753659_100000187162 [1,0,0,1,0,0|2,0,0]=4 2025 B15R2.14895 CC1(CN(C1)Cc2ccccc2Cl)C 269982a_100000753659_100000187162 [1,0,0,1,0,0|2,0,0]=4 2026 B15R2.14895 CC1(CN(C1)Cc2ccccc2Cl)C 26a_100000753659_100000210172 [1,0,0,1,0,0|2,0,0]=4 2027 B15R2.14895 CC1(CN(C1)Cc2ccccc2Cl)C 270004a_100000753659_100000210073 [1,0,0,1,0,0|2,0,0]=4 2028 B15R2.109405 CC(C)(C)OCC1Cc2c1cccc2 34a_100012476685_100000210625 [1,0,0,1,0,0|2,0,0]=4 2029 B15R2.4439 CC(C)(C)N1CC(C1)c2cccnc2 269982a_100015183634_100000210625 [1,0,0,1,0,0|2,0,0]=4 2030 B15R2.4439 CC(C)(C)N1CC(C1)c2ccncc2 269982a_100015185986_100000210625 [1,0,0,1,0,0|2,0,0]=4 2031 B15R2.4444 CC(C)(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210625 [1,0,0,1,0,0|1,0,0]=3 2032 B15R2.24496 CC(CNC1(CC1)C)c2ccccc2 2230a_100000757604_100000756946 [1,0,0,1,0,0|1,0,0]=3 2033 B15R2.24496 CC(COC1(CC1)C)c2ccccc2 7a_100011725673_100000756946 [1,0,0,1,0,0|2,0,0]=4 2034 B15R2.24496 CC1(CC1)NCC(O)c2ccccc2 2230a_100000757604_100000185958 [1,0,0,1,0,0|0,0,0]=2 2035 B15R2.24496 CC1(CC1)NC[C@@H](O)c2ccccc2 2230a_100000757604_100011933945 [1,0,0,1,0,0|0,0,0]=2 2036 B15R2.24496 CC1(CC1)OCC(O)c2ccccc2 7a_100011725673_100000185958 [1,0,0,1,0,0|1,0,0]=3 2037 B15R2.24496 CC1(CC1)OC[C@@H](O)c2ccccc2 7a_100011725673_100011933945 [1,0,0,1,0,0|1,0,0]=3 2038 B15R2.11 CC(C)(C)NC1CCc2c1cccc2 2230a_100000715429_200000721974 [0,0,0,1,1,0|2,0,0]=4 2039 B15R2.11 CC(C)(C)N[C@H]1CCc2c1cccc2 34a_100016989578_100000210625 [0,0,0,1,1,0|2,0,0]=4 2040 B15R2.7433 CC(NC1(CC1)C)c2ccccc2Cl 2230a_100000757604_100000181259 [0,0,0,1,1,0|1,0,0]=3 2041 B15R2.7433 CC(NC1(CC1)C)c2ccccc2F 2230a_100000757604_200000741388 [0,0,0,1,1,0|1,1,0]=4 2042 B15R2.7433 CC(OC1(CC1)C)c2ccccc2Cl 7a_100011725673_100000181259 [0,0,0,1,1,0|2,0,0]=4 2043 B15R2.7433 CC1(CC1)NC(=O)c2ccccc2Cl 11a_100000757604_100000185844 [0,0,0,1,1,0|0,0,2]=4 2044 B15R2.7433 CC1(CC1)NC(=O)c2ccccc2Cl 1626a_100000757604_100000185844 [0,0,0,1,1,0|0,0,2]=4 2045 B15R2.7433 CC1(CC1)NC(=O)c2ccccc2Cl 240690a_100000757604_100000185844 [0,0,0,1,1,0|0,0,2]=4 2046 B15R2.7433 CC1(CC1)NC(=O)c2ccccc2Cl 527a_100000757604_100000185844 [0,0,0,1,1,0|0,0,2]=4 2047 B17R2.3413 CC(C)(C)CNCC1CCc2c1cccc2 270004a_100020632452_100011204126 [0,0,0,1,0,1|2,0,0]=4 2048 B17R2.3413 CC(C)(C)CNCC1CCc2c1cccc2 34a_100020632452_100011219605 [0,0,0,1,0,1|2,0,0]=4 2049 B17R2.3944 CC(C)(C)N1CCC(C1)c2ccccc2Br 269982a_100010170462_100000210625 [0,0,0,1,0,1|1,1,0]=4 2050 B17R2.3944 CC(C)(C)N1CCC(C1)c2ccccc2Br 34a_100010170462_100000210625 [0,0,0,1,0,1|1,1,0]=4 2051 B17R2.3944 CC(C)(C)N1CCC(C1)c2ccccc2Cl 269982a_100015183920_100000210625 [0,0,0,1,0,1|1,0,0]=3 2052 B17R2.3944 CC(C)(C)N1CCC(C1)c2ccccc2Cl 34a_100015183920_100000210625 [0,0,0,1,0,1|1,0,0]=3 2053 B17R2.3944 CC(C)(C)N1CCC(C1)c2ccccc2F 269982a_100000704893_100000210625 [0,0,0,1,0,1|1,1,0]=4 2054 B17R2.3944 CC(C)(C)N1CCC(C1)c2ccccc2F 34a_100000704893_100000210625 [0,0,0,1,0,1|1,1,0]=4 2055 B17R2.4042 CC(C)(C)CNC1Cc2ccccc2C1O 2230a_100000743828_100000211646 [0,0,0,1,0,1|1,0,0]=3 2056 B17R2.4042 CC(C)(C)CSC1Cc2ccccc2C1O 62a_100000211646_100011219605 [0,0,0,1,0,1|2,0,0]=4 2057 B17R2.4042 CC(C)(C)CSC1Cc2ccccc2C1O 62a_100011219605_100000211646 [0,0,0,1,0,1|2,0,0]=4 2058 B17R2.4042 CC(C)(F)CNC1Cc2ccccc2C1O 2230a_100020643315_100000211646 [0,0,0,1,0,1|2,0,0]=4 2059 B17R2.4042 CC(C)(O)CNC1Cc2ccccc2C1O 2230a_100000751335_100000211646 [0,0,0,1,0,1|2,0,0]=4 2060 B17R2.24329 CC(C)(C)CNC1CC1c2ccccc2F 34a_100000753450_100011219605 [0,0,0,1,0,1|1,1,0]=4 2061 B17R2.24379 CC1(CO1)CNCC(O)c2ccccc2Cl 34a_200000759403_100000760498 [0,0,0,1,0,1|1,0,0]=3 2062 B17R2.40404 CC1CN(Cc2c1cccc2)CC(C)(C)C 270004a_100015190047_100011204126 [0,0,0,1,0,1|2,0,0]=4 2063 B17R2.40404 CC1CN(Cc2c1cccc2)CC(C)(C)C 34a_100015190047_100011219605 [0,0,0,1,0,1|2,0,0]=4 2064 B17R2.156623 CC1(CN(C1)CC(=O)c2ccccc2Cl)C 269982a_100000753659_100000211432 [0,0,0,1,0,1|0,0,2]=4 2065 B17R2.181379 CC(OCC1CC1(C)C)c2ccccc2Cl 7a_100000728257_100000181259 [0,0,0,1,0,1|2,0,0]=4 2066 B17R2.251949 CC(c1ccccc1Cl)N2CCC(C2)(C)C 2230a_100000764714_100000181259 [0,0,0,1,0,1|2,0,0]=4 2067 B17R2.251949 CC(c1ccccc1Cl)N2CCC(C2)(C)C 269982a_100000764714_100000181259 [0,0,0,1,0,1|2,0,0]=4 2068 B17R2.10056 CC(C)(C)NCC1CCc2ccccc2O1 34a_100102422350_100000210625 [0,0,0,1,0,1|2,0,0]=4 2069 B17R2.10056 CC(C)(C)NCC1COc2ccccc2C1 34a_100000703909_100000210625 [0,0,0,1,0,1|2,0,0]=4 2070 B17R2.10056 CC(C)(C)NCC1COc2ccccc2O1 2230a_100000715429_100011215957 [0,0,0,1,0,1|2,0,0]=4 2071 B17R2.10056 CC(C)(C)NCC1COc2ccccc2O1 34a_100000682559_100000210625 [0,0,0,1,0,1|2,0,0]=4 2072 B17R2.20610 CC1(CC1)NCC(=O)Nc2ccccc2Cl 2230a_100000757604_100000182448 [0,0,0,1,0,1|0,0,2]=4 2073 B17R2.40275 CC(C)(C)N1CC(C1)Oc2ccccc2Cl 269982a_200000688386_100000210625 [0,0,0,1,0,1|1,0,0]=3 2074 B17R2.40275 CC(C)(C)N1CC(C1)Oc2ccccc2Cl 34a_200000688386_100000210625 [0,0,0,1,0,1|1,0,0]=3 2075 B17R2.40275 CC(C)(C)N1CC(C1)Oc2ccccc2F 269982a_100015184944_100000210625 [0,0,0,1,0,1|1,1,0]=4 2076 B17R2.40275 CC(C)(C)N1CC(C1)Oc2ccccc2F 34a_100015184944_100000210625 [0,0,0,1,0,1|1,1,0]=4 2077 B17R2.40275 Cc1ccccc1OC2CN(C2)C(C)(C)C 269982a_100015183455_100000210625 [0,0,0,1,0,1|2,0,0]=4 2078 B17R2.40275 Cc1ccccc1OC2CN(C2)C(C)(C)C 34a_100015183455_100000210625 [0,0,0,1,0,1|2,0,0]=4 2079 B17R2.252200 CC(C)(C)NCc1cc2c(cccc2s1)Cl 207a_100000715429_100000117544 [0,0,0,1,0,1|0,1,1]=4 2080 B17R2.252200 Cc1cccc2c1nc(o2)CNC(C)(C)C 2230a_100000715429_100011397728 [0,0,0,1,0,1|1,0,1]=4 2081 B17R2.20558 CC(C(=O)NC1(CC1)C)c2ccccc2Cl 11a_100000757604_100011667492 [0,1,0,1,0,0|1,0,1]=4 2082 B17R2.20558 CC(C(=O)NC1(CC1)C)c2ccccc2Cl 1626a_100000757604_100011667492 [0,1,0,1,0,0|1,0,1]=4 2083 B17R2.20558 CC(C(=O)NC1(CC1)C)c2ccccc2Cl 240690a_100000757604_100011667492 [0,1,0,1,0,0|1,0,1]=4 2084 B17R2.20558 CC(C(=O)NC1(CC1)C)c2ccccc2Cl 527a_100000757604_100011667492 [0,1,0,1,0,0|1,0,1]=4 2085 B17R2.20558 CC(NC1(CC1)C)C(=O)c2ccccc2Cl 2230a_100000757604_100010255250 [0,1,0,1,0,0|0,0,2]=4 2086 B17R2.20558 CC1(CC1)NC(=O)C(O)c2ccccc2Br 240690a_100000757604_200011356456 [0,1,0,1,0,0|0,1,1]=4 2087 B17R2.20558 CC1(CC1)NC(=O)C(O)c2ccccc2Cl 240690a_100000757604_100011217820 [0,1,0,1,0,0|0,0,1]=3 2088 B17R2.20558 CC1(CC1)NC(=O)C(O)c2ccccc2F 240690a_100000757604_100011219519 [0,1,0,1,0,0|0,1,1]=4 2089 B17R2.20862 CC1(CC1)NCC(=O)c2ccc(cc2Cl)Cl 2230a_100000757604_100011218845 [0,1,0,1,0,0|0,0,2]=4 2090 B17R2.20862 CC1(CC1)NCC(=O)c2ccc(cc2Cl)F 2230a_100000757604_100012056422 [0,1,0,1,0,0|0,0,2]=4 2091 B17R2.20862 CC1(CC1)NC[C@@H](O)c2ccc(cc2F)F 2230a_100000757604_100000761269 [0,1,0,1,0,0|0,1,0]=3 2092 B17R2.20862 CC1(CC1)NC[C@H](O)c2ccc(cc2Cl)Cl 2230a_100000757604_100000761231 [0,1,0,1,0,0|0,0,0]=2 2093 B17R2.20862 CC1(CC1)OC[C@@H](O)c2ccc(cc2F)F 7a_100011725673_100000761269 [0,1,0,1,0,0|1,1,0]=4 2094 B17R2.20862 CC1(CC1)OC[C@H](O)c2ccc(cc2Cl)Cl 7a_100011725673_100000761231 [0,1,0,1,0,0|1,0,0]=3 2095 B17R2.256735 CC1CN(Cc2c1cc(cc2)Cl)C(C)(C)C 269982a_100009840616_100000210625 [0,1,0,1,0,0|2,0,0]=4 2096 B17R2.256735 CC1CN(Cc2c1cc(cc2)Cl)C(C)(C)C 34a_100009840616_100000210625 [0,1,0,1,0,0|2,0,0]=4 2097 B17R2.277012 CC1(CC1)NCC(=O)c2cc(ccc2Cl)Cl 2230a_100000757604_100000183120 [0,1,0,1,0,0|0,0,2]=4 2098 B17R2.26385 CN([C@@H]1Cc2ccccc2[C@H]1O)C(C)(C)C 269982a_200016148318_100000210625 [0,1,0,1,0,0|1,0,0]=3 2099 B17R2.4754 C#CC(C)(C)NC1Cc2ccccc2C1O 34a_100000054563_100000211646 [0,1,0,1,0,0|1,0,1]=4 2100 B17R2.4754 CC(C)(CO)NC1Cc2ccccc2C1O 2230a_100000210608_100000211646 [0,1,0,1,0,0|1,0,0]=3 2101 B17R2.4754 CCC(C)(C)NC1Cc2ccccc2C1O 2230a_100000211385_100000211646 [0,1,0,1,0,0|1,0,0]=3 2102 B17R2.4754 CCC(C)(C)SC1Cc2ccccc2C1O 62a_100000032637_100000211646 [0,1,0,1,0,0|2,0,0]=4 2103 B17R2.4754 CCC(C)(C)SC1Cc2ccccc2C1O 62a_100000211646_100000032637 [0,1,0,1,0,0|2,0,0]=4 2104 B17R2.36278 CCC(C)(C)N1Cc2ccccc2C(C1)C 269982a_100015190047_100000032637 [0,1,0,1,0,0|2,0,0]=4 2105 B17R2.111367 N#CC1(CC1)NCC(O)c2ccccc2Cl 34a_200000759403_100009889376 [0,1,0,1,0,0|0,0,1]=3 2106 B17R2.111367 O=C(CNC1(CC1)CF)c2ccccc2Cl 34a_100000054953_100000211432 [0,1,0,1,0,0|0,0,2]=4 2107 B17R2.181377 CC1(CCC1)NCC(=O)c2ccccc2Cl 34a_100000692455_100000211432 [0,1,0,1,0,0|0,0,2]=4 2108 B17R2.533832 CC(C)(C)NCC1OCCc2c1cccc2 34a_100000755408_100000210625 [0,1,0,1,0,0|1,0,0]=3 2109 B17R2.273876 CC1(CC1)NCC(=O)c2c(cccc2Cl)Cl 2230a_100000757604_100012340516 [0,1,0,1,0,0|0,0,2]=4 2110 B17R2.273876 CC1(CC1)NCC(=O)c2c(cccc2Cl)F 2230a_100000757604_100011219195 [0,1,0,1,0,0|0,0,2]=4 2111 B17R2.156509 CC(C)(C)NCC1(CC1)c2ccccc2Cl 34a_200000694866_100000210625 [0,1,0,1,0,0|1,0,0]=3 2112 B17R2.156509 CC(C)(C)OCC1(CC1)c2ccccc2Cl 34a_100000085620_100000210625 [0,1,0,1,0,0|2,0,0]=4 2113 B17R2.156509 Cc1ccccc1C2(CC2)CNC(C)(C)C 34a_200000749971_100000210625 [0,1,0,1,0,0|2,0,0]=4 2114 B17R2.182994 CC1(CN(Cc2c1cccc2)C(C)(C)C)C 269982a_200015189388_100000210625 [0,1,0,1,0,0|2,0,0]=4 2115 B17R2.182994 CC1(CN(Cc2c1cccc2)C(C)(C)C)C 34a_200015189388_100000210625 [0,1,0,1,0,0|2,0,0]=4 2116 B17R2.8952 CO[C@H]1c2ccccc2C[C@H]1OC(C)(C)C 34a_200016238473_100000210625 [0,1,0,1,0,0|2,0,0]=4 2117 B17R3.35246 CC1(CC1)NC2Cc3ccccc3C2O 2230a_100000757604_100000211646 [0,0,0,2,0,0|1,0,0]=3 2118 B13R1.201 CC(C)CC(=O)c1ccccc1Cl 1458a_100000185844_100000210624 [1,0,0,0,1,0|0,0,2]=4 2119 B13R1.201 CC(C)CN(C)c1ccccc1Cl 2230a_100000219374_100000210760 [1,0,0,0,1,0|2,0,0]=4 2120 B13R1.201 CC(C)CN(C)c1ccccc1Cl 2230a_100011231759_200000210301 [1,0,0,0,1,0|2,0,0]=4 2121 B13R1.201 CC(C)CN(C)c1ccccc1Cl 269982a_100000219374_100000210624 [1,0,0,0,1,0|2,0,0]=4 2122 B13R1.201 CC(C)CN(C)c1ccccc1Cl 269982a_100011231759_200000210301 [1,0,0,0,1,0|2,0,0]=4 2123 B13R1.201 CC(C)CN(C)c1ccccc1Cl 34a_100000219374_100000210624 [1,0,0,0,1,0|2,0,0]=4 2124 B13R1.201 CC(C)CN(C)c1ccccc1Cl 34a_100011231759_200000210301 [1,0,0,0,1,0|2,0,0]=4 2125 B13R1.201 CC(C)CN([13CH3])c1ccccc1Cl 2230a_100011231759_200025704644 [1,0,0,0,1,0|2,0,0]=4 2126 B13R1.201 CC(C)CN([13CH3])c1ccccc1Cl 269982a_100011231759_200025704644 [1,0,0,0,1,0|2,0,0]=4 2127 B13R1.201 CC(C)CN([13CH3])c1ccccc1Cl 34a_100011231759_200025704644 [1,0,0,0,1,0|2,0,0]=4 2128 B13R1.201 CC(C)C[C@H](N)c1ccccc1Br 271570a_100015190218_100000695589 [1,0,0,0,1,0|1,1,0]=4 2129 B13R1.201 CC(C)C[C@H](N)c1ccccc1Cl 271570a_100015190218_100000764095 [1,0,0,0,1,0|1,0,0]=3 2130 B13R1.201 CC(C)C[C@H](N)c1ccccc1F 271570a_100015190218_100011215700 [1,0,0,0,1,0|1,1,0]=4 2131 B13R1.201 CC(C)C[C@H](N)c1ccccc1N 271570a_100015190218_100000210017 [1,0,0,0,1,0|2,0,0]=4 2132 B13R1.201 CC(C)C[C@H](N)c1ccccc1O 271570a_100015190218_100000739446 [1,0,0,0,1,0|2,0,0]=4 2133 B13R1.201 CC(C)C[C@H](N)c1cccnc1Cl 271570a_100015190218_100000036424 [1,0,0,0,1,0|2,0,0]=4 2134 B13R1.201 CC(C)C[C@H](N)c1ccncc1Cl 271570a_100015190218_100000708259 [1,0,0,0,1,0|2,0,0]=4 2135 B13R1.201 CC(C)C[C@H](N)c1cnccc1Cl 271570a_100015190218_100009995489 [1,0,0,0,1,0|2,0,0]=4 2136 B13R1.201 CC(C)C[C@H](N)c1ncccc1Cl 271570a_100015190218_100011356963 [1,0,0,0,1,0|2,0,0]=4 2137 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 11a_100138425928_100000185844 [1,0,0,0,1,0|0,0,2]=4 2138 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 1626a_100138425928_100000185844 [1,0,0,0,1,0|0,0,2]=4 2139 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 240690a_100138425928_100000185844 [1,0,0,0,1,0|0,0,2]=4 2140 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 527a_100138425928_100000185844 [1,0,0,0,1,0|0,0,2]=4 2141 B13R1.201 CC(C)NC(C)c1ccccc1Br 2230a_100000181357_100000210206 [1,0,0,0,1,0|1,1,0]=4 2142 B13R1.201 CC(C)NC(C)c1ccccc1Cl 2230a_100000174978_100000210206 [1,0,0,0,1,0|1,0,0]=3 2143 B13R1.201 CC(C)NC(C)c1ccccc1Cl 2230a_100138425928_100000181259 [1,0,0,0,1,0|1,0,0]=3 2144 B13R1.201 CC(C)NC(C)c1ccccc1Cl 34a_100000174978_100000210206 [1,0,0,0,1,0|1,0,0]=3 2145 B13R1.201 CC(C)NC(C)c1ccccc1F 2230a_100000181408_100000210206 [1,0,0,0,1,0|1,1,0]=4 2146 B13R1.201 CC(C)NC(C)c1ccccc1F 2230a_100138425928_200000741388 [1,0,0,0,1,0|1,1,0]=4 2147 B13R1.201 CC(C)NC(C)c1ccccc1F 34a_100000181408_100000210206 [1,0,0,0,1,0|1,1,0]=4 2148 B13R1.201 CC(C)NC(C)c1ccccc1F 34a_100138425928_200000741388 [1,0,0,0,1,0|1,1,0]=4 2149 B13R1.201 CC(C)N[C@H](C)c1ccccc1O 2230a_100025703389_100000210206 [1,0,0,0,1,0|2,0,0]=4 2150 B13R1.201 CC(C)OC(C)c1ccccc1Cl 34a_100000740796_100000210206 [1,0,0,0,1,0|2,0,0]=4 2151 B13R1.201 CC(C)OC(C)c1ccccc1Cl 7a_100000740796_100000210206 [1,0,0,0,1,0|2,0,0]=4 2152 B13R1.201 CC(C)SC(C)c1ccccc1Cl 62a_100000181259_100000210206 [1,0,0,0,1,0|2,0,0]=4 2153 B13R1.201 CC(C)SC(C)c1ccccc1Cl 62a_100000210206_100000181259 [1,0,0,0,1,0|2,0,0]=4 2154 B13R1.201 Cc1ccccc1C(C)NC(C)C 2230a_100000181355_100000210206 [1,0,0,0,1,0|2,0,0]=4 2155 B13R1.201 Cc1ccccc1C(C)NC(C)C 34a_100000181355_100000210206 [1,0,0,0,1,0|2,0,0]=4 2156 B13R1.201 Cc1ccccc1[C@@H](N)CC(C)C 271570a_100015190218_100000210755 [1,0,0,0,1,0|2,0,0]=4 2157 B13R1.157 CC(C)(C)C=Cc1ccccc1Cl 271570a_100102527731_100000764095 [1,0,0,0,1,0|0,0,2]=4 2158 B13R1.157 CC(C)(C)CNc1ccccc1Br 34a_100000210017_100011219605 [1,0,0,0,1,0|1,1,0]=4 2159 B13R1.157 CC(C)(C)CNc1ccccc1Cl 34a_100000185783_100011219605 [1,0,0,0,1,0|1,0,0]=3 2160 B13R1.157 CC(C)(C)CNc1ccccc1F 34a_100000210422_100011219605 [1,0,0,0,1,0|1,1,0]=4 2161 B13R1.157 CC(C)(C)CNc1ccccc1I 34a_100000210053_100011219605 [1,0,0,0,1,0|1,1,0]=4 2162 B13R1.157 CC(C)(C)CNc1ccccc1O 34a_100000185747_100011219605 [1,0,0,0,1,0|2,0,0]=4 2163 B13R1.157 CC(C)(C)COc1ccccc1Br 34a_100000181306_100011219605 [1,0,0,0,1,0|1,1,0]=4 2164 B13R1.157 CC(C)(C)COc1ccccc1Cl 34a_100000210172_100011219605 [1,0,0,0,1,0|1,0,0]=3 2165 B13R1.157 CC(C)(C)COc1ccccc1F 34a_100000210171_100011219605 [1,0,0,0,1,0|1,1,0]=4 2166 B13R1.157 CC(C)(C)COc1ccccc1I 34a_100000739446_100011219605 [1,0,0,0,1,0|1,1,0]=4 2167 B13R1.157 CC(C)(C)COc1ccccc1N 34a_100000185747_100011219605 [1,0,0,0,1,0|2,0,0]=4 2168 B13R1.157 CC(C)(C)COc1cccnc1Cl 34a_100000757616_100011219605 [1,0,0,0,1,0|2,0,0]=4 2169 B13R1.157 CC(C)(C)COc1ccncc1Cl 34a_100011997054_100011219605 [1,0,0,0,1,0|2,0,0]=4 2170 B13R1.157 CC(C)(C)COc1cnccc1Cl 34a_100011996695_100011219605 [1,0,0,0,1,0|2,0,0]=4 2171 B13R1.157 CC(C)(C)COc1ncccc1Cl 34a_100011290957_100011219605 [1,0,0,0,1,0|2,0,0]=4 2172 B13R1.157 CC(C)(C)CSc1ccccc1Br 62a_100000695589_100011219605 [1,0,0,0,1,0|1,1,0]=4 2173 B13R1.157 CC(C)(C)CSc1ccccc1Br 62a_100011219605_100000695589 [1,0,0,0,1,0|1,1,0]=4 2174 B13R1.157 CC(C)(C)CSc1ccccc1Cl 62a_100000764095_100011219605 [1,0,0,0,1,0|1,0,0]=3 2175 B13R1.157 CC(C)(C)CSc1ccccc1Cl 62a_100011219605_100000764095 [1,0,0,0,1,0|1,0,0]=3 2176 B13R1.157 CC(C)(C)CSc1ccccc1F 62a_100011215700_100011219605 [1,0,0,0,1,0|1,1,0]=4 2177 B13R1.157 CC(C)(C)CSc1ccccc1F 62a_100011219605_100011215700 [1,0,0,0,1,0|1,1,0]=4 2178 B13R1.157 CC(C)(C)CSc1ccccc1N 62a_100000210017_100011219605 [1,0,0,0,1,0|2,0,0]=4 2179 B13R1.157 CC(C)(C)CSc1ccccc1N 62a_100011219605_100000210017 [1,0,0,0,1,0|2,0,0]=4 2180 B13R1.157 CC(C)(C)CSc1ccccc1O 62a_100000739446_100011219605 [1,0,0,0,1,0|2,0,0]=4 2181 B13R1.157 CC(C)(C)CSc1ccccc1O 62a_100011219605_100000739446 [1,0,0,0,1,0|2,0,0]=4 2182 B13R1.157 CC(C)(C)CSc1cccnc1Cl 62a_100000036424_100011219605 [1,0,0,0,1,0|2,0,0]=4 2183 B13R1.157 CC(C)(C)CSc1cccnc1Cl 62a_100011219605_100000036424 [1,0,0,0,1,0|2,0,0]=4 2184 B13R1.157 CC(C)(C)CSc1ccncc1Cl 62a_100000708259_100011219605 [1,0,0,0,1,0|2,0,0]=4 2185 B13R1.157 CC(C)(C)CSc1ccncc1Cl 62a_100011219605_100000708259 [1,0,0,0,1,0|2,0,0]=4 2186 B13R1.157 CC(C)(C)CSc1cnccc1Cl 62a_100009995489_100011219605 [1,0,0,0,1,0|2,0,0]=4 2187 B13R1.157 CC(C)(C)CSc1cnccc1Cl 62a_100011219605_100009995489 [1,0,0,0,1,0|2,0,0]=4 2188 B13R1.157 CC(C)(C)CSc1ncccc1Cl 62a_100011219605_100011356963 [1,0,0,0,1,0|2,0,0]=4 2189 B13R1.157 CC(C)(C)CSc1ncccc1Cl 62a_100011356963_100011219605 [1,0,0,0,1,0|2,0,0]=4 2190 B13R1.157 CC(C)(C)NCc1ccccc1Br 207a_100000715429_100000211189 [1,0,0,0,1,0|0,1,0]=3 2191 B13R1.157 CC(C)(C)NCc1ccccc1Br 2230a_100000715429_100000184730 [1,0,0,0,1,0|0,1,0]=3 2192 B13R1.157 CC(C)(C)NCc1ccccc1Br 34a_100000689332_100000210625 [1,0,0,0,1,0|0,1,0]=3 2193 B13R1.157 CC(C)(C)NCc1ccccc1Cl 207a_100000715429_100000210073 [1,0,0,0,1,0|0,0,0]=2 2194 B13R1.157 CC(C)(C)NCc1ccccc1Cl 2230a_100000715429_100000187162 [1,0,0,0,1,0|0,0,0]=2 2195 B13R1.157 CC(C)(C)NCc1ccccc1Cl 34a_100000174879_100000210625 [1,0,0,0,1,0|0,0,0]=2 2196 B13R1.157 CC(C)(C)NCc1ccccc1F 207a_100000715429_100000210811 [1,0,0,0,1,0|0,1,0]=3 2197 B13R1.157 CC(C)(C)NCc1ccccc1F 2230a_100000715429_100000211605 [1,0,0,0,1,0|0,1,0]=3 2198 B13R1.157 CC(C)(C)NCc1ccccc1F 34a_100000174869_100000210625 [1,0,0,0,1,0|0,1,0]=3 2199 B13R1.157 CC(C)(C)NCc1ccccc1I 207a_100000715429_100000010305 [1,0,0,0,1,0|0,1,0]=3 2200 B13R1.157 CC(C)(C)NCc1ccccc1I 2230a_100000715429_100011215278 [1,0,0,0,1,0|0,1,0]=3 2201 B13R1.157 CC(C)(C)NCc1ccccc1O 271570a_203496583355_100000740897 [1,0,0,0,1,0|1,0,0]=3 2202 B13R1.157 CC(C)(C)NCc1ccccc1O 34a_100000185550_100000210625 [1,0,0,0,1,0|1,0,0]=3 2203 B13R1.157 CC(C)(C)NCc1cccnc1Br 2230a_100000715429_100010140945 [1,0,0,0,1,0|1,1,0]=4 2204 B13R1.157 CC(C)(C)NCc1cccnc1Br 34a_100009818023_100000210625 [1,0,0,0,1,0|1,1,0]=4 2205 B13R1.157 CC(C)(C)NCc1cccnc1Cl 2230a_100000715429_100000045678 [1,0,0,0,1,0|1,0,0]=3 2206 B13R1.157 CC(C)(C)NCc1cccnc1Cl 34a_100015189234_100000210625 [1,0,0,0,1,0|1,0,0]=3 2207 B13R1.157 CC(C)(C)NCc1cccnc1F 2230a_100000715429_100000099810 [1,0,0,0,1,0|1,1,0]=4 2208 B13R1.157 CC(C)(C)NCc1cccnc1F 34a_100000724633_100000210625 [1,0,0,0,1,0|1,1,0]=4 2209 B13R1.157 CC(C)(C)NCc1cccnc1O 207a_100000715429_100011998315 [1,0,0,0,1,0|2,0,0]=4 2210 B13R1.157 CC(C)(C)NCc1ccncc1Cl 207a_100000715429_100011934409 [1,0,0,0,1,0|1,0,0]=3 2211 B13R1.157 CC(C)(C)NCc1ccncc1Cl 2230a_100000715429_100000763264 [1,0,0,0,1,0|1,0,0]=3 2212 B13R1.157 CC(C)(C)NCc1ccncc1F 34a_100011935246_100000210625 [1,0,0,0,1,0|1,1,0]=4 2213 B13R1.157 CC(C)(C)NCc1ncccc1Br 207a_100000715429_100011934733 [1,0,0,0,1,0|1,1,0]=4 2214 B13R1.157 CC(C)(C)NCc1ncccc1Br 2230a_100000715429_100025702911 [1,0,0,0,1,0|1,1,0]=4 2215 B13R1.157 CC(C)(C)NCc1ncccc1Cl 207a_100000715429_100012001307 [1,0,0,0,1,0|1,0,0]=3 2216 B13R1.157 CC(C)(C)NCc1ncccc1Cl 2230a_100000715429_100000099807 [1,0,0,0,1,0|1,0,0]=3 2217 B13R1.157 CC(C)(C)NCc1ncccc1F 207a_100000715429_100011934734 [1,0,0,0,1,0|1,1,0]=4 2218 B13R1.157 CC(C)(C)NCc1ncccc1F 2230a_100000715429_100000104219 [1,0,0,0,1,0|1,1,0]=4 2219 B13R1.157 CC(C)(C)NCc1ncccc1F 34a_100000690088_100000210625 [1,0,0,0,1,0|1,1,0]=4 2220 B13R1.157 CC(C)(C)OCc1ccccc1Br 34a_100000756307_100000210625 [1,0,0,0,1,0|1,1,0]=4 2221 B13R1.157 CC(C)(C)OCc1ccccc1Br 34a_100015890283_100000184730 [1,0,0,0,1,0|1,1,0]=4 2222 B13R1.157 CC(C)(C)OCc1ccccc1Br 7a_100015890283_100000184730 [1,0,0,0,1,0|1,1,0]=4 2223 B13R1.157 CC(C)(C)OCc1ccccc1Cl 34a_100000210847_100000210625 [1,0,0,0,1,0|1,0,0]=3 2224 B13R1.157 CC(C)(C)OCc1ccccc1Cl 34a_100015890283_100000187162 [1,0,0,0,1,0|1,0,0]=3 2225 B13R1.157 CC(C)(C)OCc1ccccc1Cl 7a_100015890283_100000187162 [1,0,0,0,1,0|1,0,0]=3 2226 B13R1.157 CC(C)(C)OCc1ccccc1F 34a_100000211962_100000210625 [1,0,0,0,1,0|1,1,0]=4 2227 B13R1.157 CC(C)(C)OCc1ccccc1F 34a_100015890283_100000211605 [1,0,0,0,1,0|1,1,0]=4 2228 B13R1.157 CC(C)(C)OCc1ccccc1F 7a_100015890283_100000211605 [1,0,0,0,1,0|1,1,0]=4 2229 B13R1.157 CC(C)(C)OCc1ccccc1I 34a_100000187465_100000210625 [1,0,0,0,1,0|1,1,0]=4 2230 B13R1.157 CC(C)(C)OCc1ccccc1I 34a_100015890283_100011215278 [1,0,0,0,1,0|1,1,0]=4 2231 B13R1.157 CC(C)(C)OCc1ccccc1I 7a_100015890283_100011215278 [1,0,0,0,1,0|1,1,0]=4 2232 B13R1.157 CC(C)(C)OCc1ccccc1N 34a_100000212039_100000210625 [1,0,0,0,1,0|2,0,0]=4 2233 B13R1.157 CC(C)(C)OCc1cccnc1Cl 34a_100000748726_100000210625 [1,0,0,0,1,0|2,0,0]=4 2234 B13R1.157 CC(C)(C)OCc1cccnc1Cl 34a_100015890283_100000045678 [1,0,0,0,1,0|2,0,0]=4 2235 B13R1.157 CC(C)(C)OCc1cccnc1Cl 7a_100015890283_100000045678 [1,0,0,0,1,0|2,0,0]=4 2236 B13R1.157 CC(C)(C)OCc1ccncc1Cl 7a_100015890283_100000763264 [1,0,0,0,1,0|2,0,0]=4 2237 B13R1.157 CC(C)(C)OCc1cnccc1Cl 34a_100000117392_100000210625 [1,0,0,0,1,0|2,0,0]=4 2238 B13R1.157 CC(C)(C)OCc1ncccc1Cl 34a_100012002383_100000210625 [1,0,0,0,1,0|2,0,0]=4 2239 B13R1.157 CC(C)(C)OCc1ncccc1Cl 7a_100015890283_100000099807 [1,0,0,0,1,0|2,0,0]=4 2240 B13R1.157 CC(C)(C)SCc1ccccc1Br 62a_100000184730_100000211941 [1,0,0,0,1,0|1,1,0]=4 2241 B13R1.157 CC(C)(C)SCc1ccccc1Br 62a_100000211941_100000184730 [1,0,0,0,1,0|1,1,0]=4 2242 B13R1.157 CC(C)(C)SCc1ccccc1Cl 62a_100000187162_100000211941 [1,0,0,0,1,0|1,0,0]=3 2243 B13R1.157 CC(C)(C)SCc1ccccc1Cl 62a_100000211941_100000187162 [1,0,0,0,1,0|1,0,0]=3 2244 B13R1.157 CC(C)(C)SCc1ccccc1F 62a_100000211605_100000211941 [1,0,0,0,1,0|1,1,0]=4 2245 B13R1.157 CC(C)(C)SCc1ccccc1F 62a_100000211941_100000211605 [1,0,0,0,1,0|1,1,0]=4 2246 B13R1.157 CC(C)(C)SCc1ccccc1I 62a_100000211941_100011216222 [1,0,0,0,1,0|1,1,0]=4 2247 B13R1.157 CC(C)(C)SCc1ccccc1I 62a_100011216222_100000211941 [1,0,0,0,1,0|1,1,0]=4 2248 B13R1.157 CC(C)(C)SCc1cccnc1Cl 62a_100000045678_100000211941 [1,0,0,0,1,0|2,0,0]=4 2249 B13R1.157 CC(C)(C)SCc1cccnc1Cl 62a_100000211941_100000045678 [1,0,0,0,1,0|2,0,0]=4 2250 B13R1.157 CC(C)(C)SCc1ccncc1Cl 62a_100000211941_100000763264 [1,0,0,0,1,0|2,0,0]=4 2251 B13R1.157 CC(C)(C)SCc1ccncc1Cl 62a_100000763264_100000211941 [1,0,0,0,1,0|2,0,0]=4 2252 B13R1.157 CC(C)(C)SCc1ncccc1Cl 62a_100000099807_100000211941 [1,0,0,0,1,0|2,0,0]=4 2253 B13R1.157 CC(C)(C)SCc1ncccc1Cl 62a_100000211941_100000099807 [1,0,0,0,1,0|2,0,0]=4 2254 B13R1.157 CC(C)(F)CNc1ccccc1Cl 34a_100000185783_100011997219 [1,0,0,0,1,0|2,0,0]=4 2255 B13R1.157 CC(C)(F)COc1ccccc1Cl 34a_100000210172_100011997219 [1,0,0,0,1,0|2,0,0]=4 2256 B13R1.157 CC(C)(F)CSc1ccccc1Cl 62a_100000764095_100011997219 [1,0,0,0,1,0|2,0,0]=4 2257 B13R1.157 CC(C)(F)CSc1ccccc1Cl 62a_100011997219_100000764095 [1,0,0,0,1,0|2,0,0]=4 2258 B13R1.157 CC(C)(O)CNc1ccccc1Cl 34a_100000185783_100000764493 [1,0,0,0,1,0|2,0,0]=4 2259 B13R1.157 CC(C)(O)COc1ccccc1Cl 34a_100000210172_100000764493 [1,0,0,0,1,0|2,0,0]=4 2260 B13R1.157 CC(C)(O)COc1ccccc1Cl 7a_100000210172_100000764493 [1,0,0,0,1,0|2,0,0]=4 2261 B13R1.157 CC(C)(O)CSc1ccccc1Cl 62a_100000764095_100000764493 [1,0,0,0,1,0|2,0,0]=4 2262 B13R1.157 CC(C)(O)CSc1ccccc1Cl 62a_100000764493_100000764095 [1,0,0,0,1,0|2,0,0]=4 2263 B13R1.157 C[N+](C)(C)CSc1ccccc1Cl 62a_100000764095_200000036245 [1,0,0,0,1,0|2,0,0]=4 2264 B13R1.157 C[N+](C)(C)CSc1ccccc1Cl 62a_200000036245_100000764095 [1,0,0,0,1,0|2,0,0]=4 2265 B13R1.157 C[Si](C)(C)COc1ccccc1Cl 7a_100000210172_100000233785 [1,0,0,0,1,0|1,1,0]=4 2266 B13R1.157 C[Si](C)(C)CSc1ccccc1Cl 62a_100000037933_100000764095 [1,0,0,0,1,0|1,1,0]=4 2267 B13R1.157 C[Si](C)(C)CSc1ccccc1Cl 62a_100000764095_100000037933 [1,0,0,0,1,0|1,1,0]=4 2268 B13R1.157 Cc1ccccc1CNC(C)(C)C 207a_100000715429_100000211143 [1,0,0,0,1,0|1,0,0]=3 2269 B13R1.157 Cc1ccccc1CNC(C)(C)C 2230a_100000715429_100000211839 [1,0,0,0,1,0|1,0,0]=3 2270 B13R1.157 Cc1ccccc1CNC(C)(C)C 34a_100000174972_100000210625 [1,0,0,0,1,0|1,0,0]=3 2271 B13R1.157 Cc1ccccc1COC(C)(C)C 34a_100000698903_100000210625 [1,0,0,0,1,0|2,0,0]=4 2272 B13R1.157 Cc1ccccc1COC(C)(C)C 34a_100015890283_100000211839 [1,0,0,0,1,0|2,0,0]=4 2273 B13R1.157 Cc1ccccc1COC(C)(C)C 7a_100015890283_100000211839 [1,0,0,0,1,0|2,0,0]=4 2274 B13R1.157 Cc1ccccc1CSC(C)(C)C 62a_100000211839_100000211941 [1,0,0,0,1,0|2,0,0]=4 2275 B13R1.157 Cc1ccccc1CSC(C)(C)C 62a_100000211941_100000211839 [1,0,0,0,1,0|2,0,0]=4 2276 B13R1.157 Cc1ccccc1NCC(C)(C)C 34a_100015192222_100011219605 [1,0,0,0,1,0|2,0,0]=4 2277 B13R1.157 Cc1ccccc1OCC(C)(C)C 34a_100000210338_100011219605 [1,0,0,0,1,0|2,0,0]=4 2278 B13R1.157 Cc1ccccc1SCC(C)(C)C 62a_100000210755_100011219605 [1,0,0,0,1,0|2,0,0]=4 2279 B13R1.157 Cc1ccccc1SCC(C)(C)C 62a_100011219605_100000210755 [1,0,0,0,1,0|2,0,0]=4 2280 B13R1.157 Cc1cccnc1CNC(C)(C)C 207a_100000715429_100000698913 [1,0,0,0,1,0|2,0,0]=4 2281 B13R1.157 Cc1cccnc1CNC(C)(C)C 2230a_100000715429_100000696600 [1,0,0,0,1,0|2,0,0]=4 2282 B13R1.157 Cc1cccnc1CNC(C)(C)C 34a_100011223789_100000210625 [1,0,0,0,1,0|2,0,0]=4 2283 B13R1.157 Cc1ccncc1CNC(C)(C)C 207a_100000715429_100000685662 [1,0,0,0,1,0|2,0,0]=4 2284 B13R1.157 Cc1ccncc1CNC(C)(C)C 2230a_100000715429_100000690890 [1,0,0,0,1,0|2,0,0]=4 2285 B13R1.157 Cc1cnccc1CNC(C)(C)C 2230a_100000715429_100020672808 [1,0,0,0,1,0|2,0,0]=4 2286 B13R1.157 Cc1ncccc1CNC(C)(C)C 207a_100000715429_100000751968 [1,0,0,0,1,0|2,0,0]=4 2287 B13R1.157 Cc1ncccc1CNC(C)(C)C 2230a_100000715429_100000732876 [1,0,0,0,1,0|2,0,0]=4 2288 B13R1.195 Cn1cccc1CCNC(C)(C)C 34a_100011251756_100000210625 [1,0,0,0,1,0|2,0,0]=4 2289 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 11a_100000715429_100000185807 [1,0,0,0,1,0|0,0,2]=4 2290 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 1626a_100000715429_100000185807 [1,0,0,0,1,0|0,0,2]=4 2291 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 240690a_100000715429_100000185807 [1,0,0,0,1,0|0,0,2]=4 2292 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 527a_100000715429_100000185807 [1,0,0,0,1,0|0,0,2]=4 2293 B13R1.352 CC(NC(C)(C)C)c1ccccc1 2230a_100000715429_100000230085 [1,0,0,0,1,0|1,0,0]=3 2294 B13R1.352 CC(OC(C)(C)C)c1ccccc1 34a_100015890283_100000211855 [1,0,0,0,1,0|2,0,0]=4 2295 B13R1.352 CC(OC(C)(C)C)c1ccccc1 7a_100015890283_100000230085 [1,0,0,0,1,0|2,0,0]=4 2296 B13R1.352 CC(SC(C)(C)C)c1ccccc1 62a_100000211941_100000230085 [1,0,0,0,1,0|2,0,0]=4 2297 B13R1.352 CC(SC(C)(C)C)c1ccccc1 62a_100000230085_100000211941 [1,0,0,0,1,0|2,0,0]=4 2298 B13R1.352 CN(CC(C)(C)C)c1ccccc1 34a_100000210012_100011219605 [1,0,0,0,1,0|2,0,0]=4 2299 B13R1.352 C[C@@H](OC(C)(C)C)c1ccccc1 34a_100000761318_100000210625 [1,0,0,0,1,0|2,0,0]=4 2300 B13R1.2780 CC(C)(C)NCC(O)c1ccsc1 34a_100000758718_100000210625 [1,0,0,0,1,0|1,0,0]=3 2301 B13R1.276 CN(c1ccccc1Cl)C(C)(C)C 269982a_100000219374_100000210625 [0,0,0,0,2,0|2,0,0]=4 2302 B13R1.276 CN(c1ccccc1Cl)C(C)(C)C 34a_100000219374_100000210625 [0,0,0,0,2,0|2,0,0]=4 2303 B15R1.256 CC(C)CCC(C)Nc1ccccc1Cl 34a_100000185783_100011261404 [1,0,0,0,0,1|2,0,0]=4 2304 B15R1.256 CC(C)CCC(C)Oc1ccccc1Cl 34a_100000210172_100011261404 [1,0,0,0,0,1|2,0,0]=4 2305 B15R1.256 CC(C)NCC(=O)Nc1ccccc1Cl 2230a_100138425928_100000182448 [1,0,0,0,0,1|0,0,2]=4 2306 B15R1.256 CC(C)NCC(=O)Nc1ccccc1Cl 34a_100138425928_100000182448 [1,0,0,0,0,1|0,0,2]=4 2307 B15R1.256 CC(C)NCC(C)Oc1ccccc1Cl 2230a_100000763343_100000210206 [1,0,0,0,0,1|1,0,0]=3 2308 B15R1.256 CC(C)NCC(C)Oc1ccccc1Cl 34a_100000763343_100000210206 [1,0,0,0,0,1|1,0,0]=3 2309 B15R1.256 CC(C)OCC(N)Cc1ccccc1Cl 34a_100012001541_100000210206 [1,0,0,0,0,1|2,0,0]=4 2310 B15R1.8019 C=C(C)CNCC(O)c1ccccc1Cl 2230a_200000759403_100000748629 [1,0,0,0,0,1|0,0,2]=4 2311 B15R1.8019 C=C(C)CNCC(O)c1ccccc1Cl 34a_200000759403_100000748629 [1,0,0,0,0,1|0,0,2]=4 2312 B15R1.8019 CC(C)CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210312 [1,0,0,0,0,1|2,0,0]=4 2313 B15R1.8019 CC(C)CCNC(C)c1ccccc1Cl 269862a_100000174978_100000185833 [1,0,0,0,0,1|2,0,0]=4 2314 B15R1.8019 CC(C)CCNC(C)c1ccccc1Cl 269862a_100000210545_100000210134 [1,0,0,0,0,1|2,0,0]=4 2315 B15R1.8019 CC(C)CCNC(C)c1ccccc1Cl 34a_100000174978_100000210312 [1,0,0,0,0,1|2,0,0]=4 2316 B15R1.8019 CC(C)CCOC(C)c1ccccc1Cl 34a_100000740796_100000210312 [1,0,0,0,0,1|2,0,0]=4 2317 B15R1.8019 CC(C)CCOC(C)c1ccccc1Cl 7a_100000210254_100000181259 [1,0,0,0,0,1|2,0,0]=4 2318 B15R1.8019 CC(C)CCOC(C)c1ccccc1Cl 7a_100000740796_100000210626 [1,0,0,0,0,1|2,0,0]=4 2319 B15R1.8019 CC(C)CNCC(=O)c1ccccc1Cl 34a_100000210953_100000211432 [1,0,0,0,0,1|0,0,2]=4 2320 B15R1.8019 CC(C)CNCC(O)c1ccccc1Br 2230a_100011236429_100000210760 [1,0,0,0,0,1|0,1,0]=3 2321 B15R1.8019 CC(C)CNCC(O)c1ccccc1Br 270004a_100011236429_100000210432 [1,0,0,0,0,1|0,1,0]=3 2322 B15R1.8019 CC(C)CNCC(O)c1ccccc1Cl 2230a_200000759403_100000210760 [1,0,0,0,0,1|0,0,0]=2 2323 B15R1.8019 CC(C)CNCC(O)c1ccccc1Cl 270004a_200000759403_100000210432 [1,0,0,0,0,1|0,0,0]=2 2324 B15R1.8019 CC(C)CNCC(O)c1ccccc1Cl 34a_200000759403_100000210624 [1,0,0,0,0,1|0,0,0]=2 2325 B15R1.8019 CC(C)COCC(N)c1ccccc1Cl 34a_100138412506_100000210624 [1,0,0,0,0,1|2,0,0]=4 2326 B15R1.8019 CC(C)OCCC(N)c1ccccc1Cl 34a_100011661560_100000210206 [1,0,0,0,0,1|2,0,0]=4 2327 B15R1.8019 CC(C)OCNC(C)c1ccccc1Cl 2230a_100000174978_100000709892 [1,0,0,0,0,1|2,0,0]=4 2328 B15R1.8019 CC(C)OCNC(C)c1ccccc1Cl 34a_100000174978_100000709892 [1,0,0,0,0,1|2,0,0]=4 2329 B15R1.8019 CC(C)OCOC(C)c1ccccc1Cl 34a_100000740796_100000709892 [1,0,0,0,0,1|2,0,0]=4 2330 B15R1.8019 CC(C)OCSC(C)c1ccccc1Cl 62a_100000181259_100000709892 [1,0,0,0,0,1|2,0,0]=4 2331 B15R1.8019 CC(C)OCSC(C)c1ccccc1Cl 62a_100000709892_100000181259 [1,0,0,0,0,1|2,0,0]=4 2332 B15R1.8019 CC(O)CNCC(O)c1ccccc1Br 2230a_100011236429_100011218427 [1,0,0,0,0,1|1,1,0]=4 2333 B15R1.8019 CC(O)CNCC(O)c1ccccc1Cl 2230a_200000759403_100011218427 [1,0,0,0,0,1|1,0,0]=3 2334 B15R1.8019 CC(O)CNCC(O)c1ccccc1Cl 34a_200000759403_100011218427 [1,0,0,0,0,1|1,0,0]=3 2335 B15R1.8019 C[C@@H](O)CNCC(O)c1ccccc1Br 2230a_100011236429_100009817552 [1,0,0,0,0,1|1,1,0]=4 2336 B15R1.8019 C[C@@H](O)CNCC(O)c1ccccc1Cl 2230a_200000759403_100009817552 [1,0,0,0,0,1|1,0,0]=3 2337 B15R1.8019 C[C@@H](O)CNCC(O)c1ccccc1Cl 34a_200000759403_100009817552 [1,0,0,0,0,1|1,0,0]=3 2338 B15R1.8019 OC(CNCC(F)F)c1ccccc1Cl 2230a_200000759403_100011934356 [1,0,0,0,0,1|2,0,0]=4 2339 B15R1.8019 OC(CNCC(F)F)c1ccccc1Cl 34a_200000759403_100011934356 [1,0,0,0,0,1|2,0,0]=4 2340 B15R1.362 CC(C)(C)CCNCc1ccccc1Br 207a_100000738805_100000211189 [1,0,0,0,0,1|1,1,0]=4 2341 B15R1.362 CC(C)(C)CCNCc1ccccc1Br 2230a_100000689332_100000755188 [1,0,0,0,0,1|1,1,0]=4 2342 B15R1.362 CC(C)(C)CCNCc1ccccc1Br 2230a_100000738805_100000184730 [1,0,0,0,0,1|1,1,0]=4 2343 B15R1.362 CC(C)(C)CCNCc1ccccc1Br 26a_100000738805_100000181306 [1,0,0,0,0,1|1,1,0]=4 2344 B15R1.362 CC(C)(C)CCNCc1ccccc1Br 270004a_100000738805_100000211189 [1,0,0,0,0,1|1,1,0]=4 2345 B15R1.362 CC(C)(C)CCNCc1ccccc1Br 34a_100000689332_100000755188 [1,0,0,0,0,1|1,1,0]=4 2346 B15R1.362 CC(C)(C)CCNCc1ccccc1Cl 207a_100000738805_100000210073 [1,0,0,0,0,1|1,0,0]=3 2347 B15R1.362 CC(C)(C)CCNCc1ccccc1Cl 2230a_100000174879_100000755188 [1,0,0,0,0,1|1,0,0]=3 2348 B15R1.362 CC(C)(C)CCNCc1ccccc1Cl 2230a_100000738805_100000187162 [1,0,0,0,0,1|1,0,0]=3 2349 B15R1.362 CC(C)(C)CCNCc1ccccc1Cl 26a_100000738805_100000210172 [1,0,0,0,0,1|1,0,0]=3 2350 B15R1.362 CC(C)(C)CCNCc1ccccc1Cl 270004a_100000738805_100000210073 [1,0,0,0,0,1|1,0,0]=3 2351 B15R1.362 CC(C)(C)CCNCc1ccccc1Cl 34a_100000174879_100000755188 [1,0,0,0,0,1|1,0,0]=3 2352 B15R1.362 CC(C)(C)CCNCc1ccccc1F 207a_100000738805_100000210811 [1,0,0,0,0,1|1,1,0]=4 2353 B15R1.362 CC(C)(C)CCNCc1ccccc1F 2230a_100000738805_100000211605 [1,0,0,0,0,1|1,1,0]=4 2354 B15R1.362 CC(C)(C)CCNCc1ccccc1F 270004a_100000738805_100000210811 [1,0,0,0,0,1|1,1,0]=4 2355 B15R1.362 CC(C)(C)CCNCc1ccccc1F 34a_100000174869_100000755188 [1,0,0,0,0,1|1,1,0]=4 2356 B15R1.362 CC(C)(C)CCNCc1ccccc1I 207a_100000738805_100000010305 [1,0,0,0,0,1|1,1,0]=4 2357 B15R1.362 CC(C)(C)CCNCc1ccccc1I 2230a_100000738805_100011215278 [1,0,0,0,0,1|1,1,0]=4 2358 B15R1.362 CC(C)(C)CCNCc1ccccc1I 270004a_100000738805_100000010305 [1,0,0,0,0,1|1,1,0]=4 2359 B15R1.362 CC(C)(C)CCNCc1ccccc1O 34a_100000185550_100000755188 [1,0,0,0,0,1|2,0,0]=4 2360 B15R1.362 CC(C)(C)CCNCc1cccnc1Cl 2230a_100000738805_100000045678 [1,0,0,0,0,1|2,0,0]=4 2361 B15R1.362 CC(C)(C)CCNCc1cccnc1Cl 2230a_100015189234_100000755188 [1,0,0,0,0,1|2,0,0]=4 2362 B15R1.362 CC(C)(C)CCNCc1cccnc1Cl 34a_100015189234_100000755188 [1,0,0,0,0,1|2,0,0]=4 2363 B15R1.362 CC(C)(C)CCNCc1ccncc1Cl 207a_100000738805_100011934409 [1,0,0,0,0,1|2,0,0]=4 2364 B15R1.362 CC(C)(C)CCNCc1ccncc1Cl 2230a_100000738805_100000763264 [1,0,0,0,0,1|2,0,0]=4 2365 B15R1.362 CC(C)(C)CCNCc1ccncc1Cl 270004a_100000738805_100011934409 [1,0,0,0,0,1|2,0,0]=4 2366 B15R1.362 CC(C)(C)CCNCc1cnccc1Cl 270004a_100000738805_100000050567 [1,0,0,0,0,1|2,0,0]=4 2367 B15R1.362 CC(C)(C)CCNCc1ncccc1Cl 207a_100000738805_100012001307 [1,0,0,0,0,1|2,0,0]=4 2368 B15R1.362 CC(C)(C)CCNCc1ncccc1Cl 2230a_100000738805_100000099807 [1,0,0,0,0,1|2,0,0]=4 2369 B15R1.362 CC(C)(C)CCNCc1ncccc1Cl 2230a_100015189233_100000755188 [1,0,0,0,0,1|2,0,0]=4 2370 B15R1.362 CC(C)(C)CCNCc1ncccc1Cl 270004a_100000738805_100012001307 [1,0,0,0,0,1|2,0,0]=4 2371 B15R1.362 CC(C)(C)CCOCc1ccccc1Br 34a_100000756307_100000755188 [1,0,0,0,0,1|1,1,0]=4 2372 B15R1.362 CC(C)(C)CCOCc1ccccc1Br 7a_100000756307_100000755188 [1,0,0,0,0,1|1,1,0]=4 2373 B15R1.362 CC(C)(C)CCOCc1ccccc1Br 7a_100000765024_100000184730 [1,0,0,0,0,1|1,1,0]=4 2374 B15R1.362 CC(C)(C)CCOCc1ccccc1Cl 34a_100000210847_100000755188 [1,0,0,0,0,1|1,0,0]=3 2375 B15R1.362 CC(C)(C)CCOCc1ccccc1Cl 7a_100000210847_100000755188 [1,0,0,0,0,1|1,0,0]=3 2376 B15R1.362 CC(C)(C)CCOCc1ccccc1Cl 7a_100000765024_100000187162 [1,0,0,0,0,1|1,0,0]=3 2377 B15R1.362 CC(C)(C)CCOCc1ccccc1F 34a_100000211962_100000755188 [1,0,0,0,0,1|1,1,0]=4 2378 B15R1.362 CC(C)(C)CCOCc1ccccc1F 7a_100000211962_100000755188 [1,0,0,0,0,1|1,1,0]=4 2379 B15R1.362 CC(C)(C)CCOCc1ccccc1F 7a_100000765024_100000211605 [1,0,0,0,0,1|1,1,0]=4 2380 B15R1.362 CC(C)(C)CCOCc1ccccc1I 34a_100000187465_100000755188 [1,0,0,0,0,1|1,1,0]=4 2381 B15R1.362 CC(C)(C)CCOCc1ccccc1I 7a_100000187465_100000755188 [1,0,0,0,0,1|1,1,0]=4 2382 B15R1.362 CC(C)(C)CCOCc1ccccc1I 7a_100000765024_100011215278 [1,0,0,0,0,1|1,1,0]=4 2383 B15R1.362 CC(C)(C)CCOCc1ccccc1N 34a_100000212039_100000755188 [1,0,0,0,0,1|2,0,0]=4 2384 B15R1.362 CC(C)(C)CCOCc1cccnc1Cl 34a_100000748726_100000755188 [1,0,0,0,0,1|2,0,0]=4 2385 B15R1.362 CC(C)(C)CCOCc1cccnc1Cl 7a_100000748726_100000755188 [1,0,0,0,0,1|2,0,0]=4 2386 B15R1.362 CC(C)(C)CCOCc1cccnc1Cl 7a_100000765024_100000045678 [1,0,0,0,0,1|2,0,0]=4 2387 B15R1.362 CC(C)(C)CCOCc1ccncc1Cl 7a_100000765024_100000763264 [1,0,0,0,0,1|2,0,0]=4 2388 B15R1.362 CC(C)(C)CCOCc1cnccc1Cl 34a_100000117392_100000755188 [1,0,0,0,0,1|2,0,0]=4 2389 B15R1.362 CC(C)(C)CCOCc1ncccc1Cl 34a_100012002383_100000755188 [1,0,0,0,0,1|2,0,0]=4 2390 B15R1.362 CC(C)(C)CCOCc1ncccc1Cl 7a_100000765024_100000099807 [1,0,0,0,0,1|2,0,0]=4 2391 B15R1.362 CC(C)(C)CCSCc1ccccc1F 62a_100000211605_100000755188 [1,0,0,0,0,1|1,1,0]=4 2392 B15R1.362 CC(C)(C)CCSCc1ccccc1F 62a_100000755188_100000211605 [1,0,0,0,0,1|1,1,0]=4 2393 B15R1.362 CC(C)(C)CCSCc1ccccc1I 62a_100000755188_100011216222 [1,0,0,0,0,1|1,1,0]=4 2394 B15R1.362 CC(C)(C)CCSCc1ccccc1I 62a_100011216222_100000755188 [1,0,0,0,0,1|1,1,0]=4 2395 B15R1.362 CC(C)(C)CCSCc1cccnc1Cl 62a_100000045678_100000755188 [1,0,0,0,0,1|2,0,0]=4 2396 B15R1.362 CC(C)(C)CCSCc1cccnc1Cl 62a_100000755188_100000045678 [1,0,0,0,0,1|2,0,0]=4 2397 B15R1.362 CC(C)(C)CCSCc1ccncc1Cl 62a_100000755188_100000763264 [1,0,0,0,0,1|2,0,0]=4 2398 B15R1.362 CC(C)(C)CCSCc1ccncc1Cl 62a_100000763264_100000755188 [1,0,0,0,0,1|2,0,0]=4 2399 B15R1.362 CC(C)(C)CCSCc1ncccc1Cl 62a_100000099807_100000755188 [1,0,0,0,0,1|2,0,0]=4 2400 B15R1.362 CC(C)(C)CCSCc1ncccc1Cl 62a_100000755188_100000099807 [1,0,0,0,0,1|2,0,0]=4 2401 B15R1.362 CC(C)(C)CNCCc1ccccc1Br 2230a_100000743828_100012161201 [1,0,0,0,0,1|0,1,0]=3 2402 B15R1.362 CC(C)(C)CNCCc1ccccc1Br 270004a_100000747383_100011204126 [1,0,0,0,0,1|0,1,0]=3 2403 B15R1.362 CC(C)(C)CNCCc1ccccc1Br 34a_100000747383_100011219605 [1,0,0,0,0,1|0,1,0]=3 2404 B15R1.362 CC(C)(C)CNCCc1ccccc1Cl 2230a_100000743828_100011713703 [1,0,0,0,0,1|0,0,0]=2 2405 B15R1.362 CC(C)(C)CNCCc1ccccc1Cl 270004a_100000743828_200011713468 [1,0,0,0,0,1|0,0,0]=2 2406 B15R1.362 CC(C)(C)CNCCc1ccccc1Cl 270004a_100011207228_100011204126 [1,0,0,0,0,1|0,0,0]=2 2407 B15R1.362 CC(C)(C)CNCCc1ccccc1Cl 34a_100011207228_100011219605 [1,0,0,0,0,1|0,0,0]=2 2408 B15R1.362 CC(C)(C)CNCCc1ccccc1F 2230a_100000743828_100011713696 [1,0,0,0,0,1|0,1,0]=3 2409 B15R1.362 CC(C)(C)CNCCc1ccccc1F 270004a_100000185272_100011204126 [1,0,0,0,0,1|0,1,0]=3 2410 B15R1.362 CC(C)(C)CNCCc1ccccc1F 34a_100000185272_100011219605 [1,0,0,0,0,1|0,1,0]=3 2411 B15R1.362 CC(C)(C)CNCCc1ccccc1O 270004a_100011207237_100011204126 [1,0,0,0,0,1|1,0,0]=3 2412 B15R1.362 CC(C)(C)CNCCc1ccccc1O 34a_100011207237_100011219605 [1,0,0,0,0,1|1,0,0]=3 2413 B15R1.362 CC(C)(C)COCCc1ccccc1Br 34a_100000731337_100011219605 [1,0,0,0,0,1|1,1,0]=4 2414 B15R1.362 CC(C)(C)COCCc1ccccc1Cl 34a_100011215284_100011219605 [1,0,0,0,0,1|1,0,0]=3 2415 B15R1.362 CC(C)(C)COCCc1ccccc1F 34a_100000753711_100011219605 [1,0,0,0,0,1|1,1,0]=4 2416 B15R1.362 CC(C)(C)COCCc1ccccc1I 34a_100010255290_100011219605 [1,0,0,0,0,1|1,1,0]=4 2417 B15R1.362 CC(C)(C)COCCc1ccccc1N 34a_100011215289_100011219605 [1,0,0,0,0,1|2,0,0]=4 2418 B15R1.362 CC(C)(C)CSCCc1ccccc1Br 62a_100011219605_100012161201 [1,0,0,0,0,1|1,1,0]=4 2419 B15R1.362 CC(C)(C)CSCCc1ccccc1Br 62a_100012161201_100011219605 [1,0,0,0,0,1|1,1,0]=4 2420 B15R1.362 CC(C)(C)CSCCc1ccccc1Cl 62a_100011219605_100011713703 [1,0,0,0,0,1|1,0,0]=3 2421 B15R1.362 CC(C)(C)CSCCc1ccccc1Cl 62a_100011713703_100011219605 [1,0,0,0,0,1|1,0,0]=3 2422 B15R1.362 CC(C)(C)CSCCc1ccccc1F 62a_100011219605_100011713696 [1,0,0,0,0,1|1,1,0]=4 2423 B15R1.362 CC(C)(C)CSCCc1ccccc1F 62a_100011713696_100011219605 [1,0,0,0,0,1|1,1,0]=4 2424 B15R1.362 CC(C)(C)CSCCc1ccccc1O 62a_100000722297_100011219605 [1,0,0,0,0,1|2,0,0]=4 2425 B15R1.362 CC(C)(C)CSCCc1ccccc1O 62a_100011219605_100000722297 [1,0,0,0,0,1|2,0,0]=4 2426 B15R1.362 CC(C)(C)NCC#Cc1ccccc1Br 2230a_100000715429_100010706765 [1,0,0,0,0,1|0,1,1]=4 2427 B15R1.362 CC(C)(C)NCC#Cc1ccccc1F 2230a_100000715429_100010404167 [1,0,0,0,0,1|0,1,1]=4 2428 B15R1.362 CC(C)(C)NCCCc1ccccc1Br 2230a_100000715429_200011713681 [1,0,0,0,0,1|0,1,0]=3 2429 B15R1.362 CC(C)(C)NCCCc1ccccc1F 34a_100000724733_100000210625 [1,0,0,0,0,1|0,1,0]=3 2430 B15R1.362 CC(C)(C)NCCOc1ccccc1Br 2230a_100000715429_100000695877 [1,0,0,0,0,1|0,1,0]=3 2431 B15R1.362 CC(C)(C)NCCOc1ccccc1Br 34a_100000744007_100000210625 [1,0,0,0,0,1|0,1,0]=3 2432 B15R1.362 CC(C)(C)NCCOc1ccccc1Cl 34a_100000174932_100000210625 [1,0,0,0,0,1|0,0,0]=2 2433 B15R1.362 CC(C)(C)NCCOc1ccccc1F 2230a_100000715429_100000183290 [1,0,0,0,0,1|0,1,0]=3 2434 B15R1.362 CC(C)(C)NCCOc1ccccc1F 34a_100000683764_100000210625 [1,0,0,0,0,1|0,1,0]=3 2435 B15R1.362 CC(C)(C)NN=CCc1ccccc1Cl 4a_100000725372_200011713468 [1,0,0,0,0,1|0,0,1]=3 2436 B15R1.362 CC(C)(C)NN=CCc1ccccc1F 4a_100000725372_200000687578 [1,0,0,0,0,1|0,1,1]=4 2437 B15R1.362 CC(C)(C)OCC#Cc1ccccc1Cl 34a_100011219350_100000210625 [1,0,0,0,0,1|1,0,1]=4 2438 B15R1.362 CC(C)(C)OCCCc1ccccc1Br 34a_100000699526_100000210625 [1,0,0,0,0,1|1,1,0]=4 2439 B15R1.362 CC(C)(C)OCCCc1ccccc1Br 34a_100015890283_200011713681 [1,0,0,0,0,1|1,1,0]=4 2440 B15R1.362 CC(C)(C)OCCCc1ccccc1Br 7a_100015890283_200011713681 [1,0,0,0,0,1|1,1,0]=4 2441 B15R1.362 CC(C)(C)OCCCc1ccccc1Cl 34a_100011709251_100000210625 [1,0,0,0,0,1|1,0,0]=3 2442 B15R1.362 CC(C)(C)OCCCc1ccccc1F 34a_100011709249_100000210625 [1,0,0,0,0,1|1,1,0]=4 2443 B15R1.362 CC(C)(C)OCCNc1ccccc1N 34a_100000683943_100000210625 [1,0,0,0,0,1|2,0,0]=4 2444 B15R1.362 CC(C)(C)OCCOc1ccccc1Br 34a_100000230753_100000210625 [1,0,0,0,0,1|1,1,0]=4 2445 B15R1.362 CC(C)(C)OCCOc1ccccc1Br 34a_100015890283_100000695877 [1,0,0,0,0,1|1,1,0]=4 2446 B15R1.362 CC(C)(C)OCCOc1ccccc1Br 7a_100015890283_100000695877 [1,0,0,0,0,1|1,1,0]=4 2447 B15R1.362 CC(C)(C)OCCOc1ccccc1Cl 34a_200000230518_100000210625 [1,0,0,0,0,1|1,0,0]=3 2448 B15R1.362 CC(C)(C)OCCOc1ccccc1F 34a_100000756447_100000210625 [1,0,0,0,0,1|1,1,0]=4 2449 B15R1.362 CC(C)(C)OCCOc1ccccc1F 34a_100015890283_100000183290 [1,0,0,0,0,1|1,1,0]=4 2450 B15R1.362 CC(C)(C)OCCOc1ccccc1F 7a_100015890283_100000183290 [1,0,0,0,0,1|1,1,0]=4 2451 B15R1.362 CC(C)(C)OCCOc1ccccc1N 34a_100132302172_100000210625 [1,0,0,0,0,1|2,0,0]=4 2452 B15R1.362 CC(C)(C)OCCSc1ccccc1Br 34a_200000230852_100000210625 [1,0,0,0,0,1|1,1,0]=4 2453 B15R1.362 CC(C)(C)OCCSc1ccccc1Cl 34a_200000230572_100000210625 [1,0,0,0,0,1|1,0,0]=3 2454 B15R1.362 CC(C)(C)OCCSc1ccccc1F 34a_200000230732_100000210625 [1,0,0,0,0,1|1,1,0]=4 2455 B15R1.362 CC(C)(C)SCCCc1ccccc1Br 62a_100000211941_200011713681 [1,0,0,0,0,1|1,1,0]=4 2456 B15R1.362 CC(C)(C)SCCCc1ccccc1Br 62a_200011713681_100000211941 [1,0,0,0,0,1|1,1,0]=4 2457 B15R1.362 CC(C)(C)SCCOc1ccccc1Br 62a_100000211941_100000695877 [1,0,0,0,0,1|1,1,0]=4 2458 B15R1.362 CC(C)(C)SCCOc1ccccc1Br 62a_100000695877_100000211941 [1,0,0,0,0,1|1,1,0]=4 2459 B15R1.362 CC(C)(C)SCCOc1ccccc1F 62a_100000183290_100000211941 [1,0,0,0,0,1|1,1,0]=4 2460 B15R1.362 CC(C)(C)SCCOc1ccccc1F 62a_100000211941_100000183290 [1,0,0,0,0,1|1,1,0]=4 2461 B15R1.362 CC(C)(F)CCNCc1ccccc1Cl 207a_100016253952_100000210073 [1,0,0,0,0,1|2,0,0]=4 2462 B15R1.362 CC(C)(F)CCNCc1ccccc1Cl 2230a_100016253952_100000187162 [1,0,0,0,0,1|2,0,0]=4 2463 B15R1.362 CC(C)(F)CCNCc1ccccc1Cl 270004a_100016253952_100000210073 [1,0,0,0,0,1|2,0,0]=4 2464 B15R1.362 CC(C)(F)CNCCc1ccccc1Br 2230a_100020643315_100012161201 [1,0,0,0,0,1|1,1,0]=4 2465 B15R1.362 CC(C)(F)CNCCc1ccccc1Br 34a_100000747383_100011997219 [1,0,0,0,0,1|1,1,0]=4 2466 B15R1.362 CC(C)(F)CNCCc1ccccc1Cl 2230a_100020643315_100011713703 [1,0,0,0,0,1|1,0,0]=3 2467 B15R1.362 CC(C)(F)CNCCc1ccccc1Cl 270004a_100020643315_200011713468 [1,0,0,0,0,1|1,0,0]=3 2468 B15R1.362 CC(C)(F)CNCCc1ccccc1Cl 34a_100011207228_100011997219 [1,0,0,0,0,1|1,0,0]=3 2469 B15R1.362 CC(C)(F)CNCCc1ccccc1F 2230a_100020643315_100011713696 [1,0,0,0,0,1|1,1,0]=4 2470 B15R1.362 CC(C)(F)CNCCc1ccccc1F 34a_100000185272_100011997219 [1,0,0,0,0,1|1,1,0]=4 2471 B15R1.362 CC(C)(F)CNCCc1ccccc1O 34a_100011207237_100011997219 [1,0,0,0,0,1|2,0,0]=4 2472 B15R1.362 CC(C)(F)COCCc1ccccc1Cl 34a_100000716592_100011713703 [1,0,0,0,0,1|2,0,0]=4 2473 B15R1.362 CC(C)(F)COCCc1ccccc1Cl 34a_100011215284_100011997219 [1,0,0,0,0,1|2,0,0]=4 2474 B15R1.362 CC(C)(F)CSCCc1ccccc1Cl 62a_100011713703_100011997219 [1,0,0,0,0,1|2,0,0]=4 2475 B15R1.362 CC(C)(F)CSCCc1ccccc1Cl 62a_100011997219_100011713703 [1,0,0,0,0,1|2,0,0]=4 2476 B15R1.362 CC(C)(O)CCCNc1ccccc1Cl 34a_100000185783_100009888830 [1,0,0,0,0,1|2,0,0]=4 2477 B15R1.362 CC(C)(O)CCCOc1ccccc1Cl 34a_100000210172_100009888830 [1,0,0,0,0,1|2,0,0]=4 2478 B15R1.362 CC(C)(O)CCCOc1ccccc1Cl 7a_100000210172_100009888830 [1,0,0,0,0,1|2,0,0]=4 2479 B15R1.362 CC(C)(O)CCCSc1ccccc1Cl 62a_100000764095_100009888830 [1,0,0,0,0,1|2,0,0]=4 2480 B15R1.362 CC(C)(O)CCCSc1ccccc1Cl 62a_100009888830_100000764095 [1,0,0,0,0,1|2,0,0]=4 2481 B15R1.362 CC(C)(O)CCNCc1ccccc1Cl 207a_100000707701_100000210073 [1,0,0,0,0,1|2,0,0]=4 2482 B15R1.362 CC(C)(O)CCNCc1ccccc1Cl 2230a_100000174879_100000702414 [1,0,0,0,0,1|2,0,0]=4 2483 B15R1.362 CC(C)(O)CCNCc1ccccc1Cl 270004a_100000707701_100000210073 [1,0,0,0,0,1|2,0,0]=4 2484 B15R1.362 CC(C)(O)CCNCc1ccccc1Cl 34a_100000174879_100000702414 [1,0,0,0,0,1|2,0,0]=4 2485 B15R1.362 CC(C)(O)CCOCc1ccccc1Cl 34a_100000210847_100000702414 [1,0,0,0,0,1|2,0,0]=4 2486 B15R1.362 CC(C)(O)CCOCc1ccccc1Cl 7a_100000210847_100000702414 [1,0,0,0,0,1|2,0,0]=4 2487 B15R1.362 CC(C)(O)CCSCc1ccccc1Cl 62a_100000187162_100000702414 [1,0,0,0,0,1|2,0,0]=4 2488 B15R1.362 CC(C)(O)CCSCc1ccccc1Cl 62a_100000702414_100000187162 [1,0,0,0,0,1|2,0,0]=4 2489 B15R1.362 CC(C)(O)CNCCc1ccccc1Br 2230a_100000751335_100012161201 [1,0,0,0,0,1|1,1,0]=4 2490 B15R1.362 CC(C)(O)CNCCc1ccccc1Br 34a_100000747383_100000764493 [1,0,0,0,0,1|1,1,0]=4 2491 B15R1.362 CC(C)(O)CNCCc1ccccc1Cl 2230a_100000751335_100011713703 [1,0,0,0,0,1|1,0,0]=3 2492 B15R1.362 CC(C)(O)CNCCc1ccccc1Cl 270004a_100000751335_200011713468 [1,0,0,0,0,1|1,0,0]=3 2493 B15R1.362 CC(C)(O)CNCCc1ccccc1Cl 34a_100011207228_100000764493 [1,0,0,0,0,1|1,0,0]=3 2494 B15R1.362 CC(C)(O)CNCCc1ccccc1F 2230a_100000751335_100011713696 [1,0,0,0,0,1|1,1,0]=4 2495 B15R1.362 CC(C)(O)CNCCc1ccccc1F 34a_100000185272_100000764493 [1,0,0,0,0,1|1,1,0]=4 2496 B15R1.362 CC(C)(O)CNCCc1ccccc1O 34a_100011207237_100000764493 [1,0,0,0,0,1|2,0,0]=4 2497 B15R1.362 CC(C)(O)COCCc1ccccc1Cl 34a_100011215284_100000764493 [1,0,0,0,0,1|2,0,0]=4 2498 B15R1.362 CC(C)(O)COCCc1ccccc1Cl 7a_100011215284_100000764493 [1,0,0,0,0,1|2,0,0]=4 2499 B15R1.362 CC(C)(O)CSCCc1ccccc1Cl 62a_100000764493_100011713703 [1,0,0,0,0,1|2,0,0]=4 2500 B15R1.362 CC(C)(O)CSCCc1ccccc1Cl 62a_100011713703_100000764493 [1,0,0,0,0,1|2,0,0]=4 2501 B15R1.362 CC(F)(F)CNCCc1ccccc1Cl 270004a_100000731000_200011713468 [1,0,0,0,0,1|2,0,0]=4 2502 B15R1.362 C[N+](C)(C)CCCNc1ccccc1Cl 34a_100000185783_100016990835 [1,0,0,0,0,1|2,0,0]=4 2503 B15R1.362 C[N+](C)(C)CCCOc1ccccc1Cl 34a_100000210172_100016990835 [1,0,0,0,0,1|2,0,0]=4 2504 B15R1.362 C[N+](C)(C)CCCOc1ccccc1Cl 7a_100000210172_100016990835 [1,0,0,0,0,1|2,0,0]=4 2505 B15R1.362 C[N+](C)(C)CCCSc1ccccc1Cl 62a_100000764095_100016990835 [1,0,0,0,0,1|2,0,0]=4 2506 B15R1.362 C[N+](C)(C)CCCSc1ccccc1Cl 62a_100016990835_100000764095 [1,0,0,0,0,1|2,0,0]=4 2507 B15R1.362 C[N+](C)(C)CCNCc1ccccc1Cl 207a_100000106457_100000210073 [1,0,0,0,0,1|2,0,0]=4 2508 B15R1.362 C[N+](C)(C)CCNCc1ccccc1Cl 270004a_100000106457_100000210073 [1,0,0,0,0,1|2,0,0]=4 2509 B15R1.362 C[N+](C)(C)CCNCc1ccccc1Cl 34a_100000174879_100000085578 [1,0,0,0,0,1|2,0,0]=4 2510 B15R1.362 C[N+](C)(C)CCOCc1ccccc1Cl 34a_100000210847_100000085578 [1,0,0,0,0,1|2,0,0]=4 2511 B15R1.362 C[N+](C)(C)CCOCc1ccccc1Cl 7a_100000210847_100000085578 [1,0,0,0,0,1|2,0,0]=4 2512 B15R1.362 C[N+](C)(C)CCOCc1ccccc1Cl 7a_200020618287_100000187162 [1,0,0,0,0,1|2,0,0]=4 2513 B15R1.362 C[N+](C)(C)CCSCc1ccccc1Cl 62a_100000085578_100000187162 [1,0,0,0,0,1|2,0,0]=4 2514 B15R1.362 C[N+](C)(C)CCSCc1ccccc1Cl 62a_100000187162_100000085578 [1,0,0,0,0,1|2,0,0]=4 2515 B15R1.362 C[N+](C)(C)CSCCc1ccccc1Cl 62a_100011713703_200000036245 [1,0,0,0,0,1|2,0,0]=4 2516 B15R1.362 C[N+](C)(C)CSCCc1ccccc1Cl 62a_200000036245_100011713703 [1,0,0,0,0,1|2,0,0]=4 2517 B15R1.362 C[Si](C)(C)CCCNc1ccccc1Cl 34a_100000185783_100011219597 [1,0,0,0,0,1|1,1,0]=4 2518 B15R1.362 C[Si](C)(C)CCCOc1ccccc1Cl 34a_100000210172_100011219597 [1,0,0,0,0,1|1,1,0]=4 2519 B15R1.362 C[Si](C)(C)CCCOc1ccccc1Cl 7a_100000210172_100011219597 [1,0,0,0,0,1|1,1,0]=4 2520 B15R1.362 C[Si](C)(C)CCNCc1ccccc1Cl 2230a_100000174879_200000733723 [1,0,0,0,0,1|1,1,0]=4 2521 B15R1.362 C[Si](C)(C)CCNCc1ccccc1Cl 34a_100000174879_200000733723 [1,0,0,0,0,1|1,1,0]=4 2522 B15R1.362 C[Si](C)(C)CCOCc1ccccc1Cl 34a_100000210847_200000733723 [1,0,0,0,0,1|1,1,0]=4 2523 B15R1.362 C[Si](C)(C)CCOCc1ccccc1Cl 7a_100000039746_100000187162 [1,0,0,0,0,1|1,1,0]=4 2524 B15R1.362 C[Si](C)(C)CCOCc1ccccc1Cl 7a_100000210847_200000733723 [1,0,0,0,0,1|1,1,0]=4 2525 B15R1.362 C[Si](C)(C)CCSCc1ccccc1Cl 62a_100000187162_200000733723 [1,0,0,0,0,1|1,1,0]=4 2526 B15R1.362 C[Si](C)(C)CCSCc1ccccc1Cl 62a_200000733723_100000187162 [1,0,0,0,0,1|1,1,0]=4 2527 B15R1.362 C[Si](C)(C)CNCCc1ccccc1Br 2230a_100000747383_100000037933 [1,0,0,0,0,1|0,2,0]=4 2528 B15R1.362 C[Si](C)(C)CNCCc1ccccc1Cl 2230a_100011207228_100000037933 [1,0,0,0,0,1|0,1,0]=3 2529 B15R1.362 C[Si](C)(C)CNCCc1ccccc1F 2230a_100000185272_100000037933 [1,0,0,0,0,1|0,2,0]=4 2530 B15R1.362 C[Si](C)(C)COCCc1ccccc1Cl 7a_100011215284_100000233785 [1,0,0,0,0,1|1,1,0]=4 2531 B15R1.362 C[Si](C)(C)CSCCc1ccccc1Cl 62a_100000037933_100011713703 [1,0,0,0,0,1|1,1,0]=4 2532 B15R1.362 C[Si](C)(C)CSCCc1ccccc1Cl 62a_100011713703_100000037933 [1,0,0,0,0,1|1,1,0]=4 2533 B15R1.362 C[Si](C)(C)OCCNc1ccccc1Cl 34a_100000185783_200000032530 [1,0,0,0,0,1|1,1,0]=4 2534 B15R1.362 C[Si](C)(C)OCCOc1ccccc1Cl 34a_100000210172_200000032530 [1,0,0,0,0,1|1,1,0]=4 2535 B15R1.362 C[Si](C)(C)OCCOc1ccccc1Cl 7a_100000210172_200000032530 [1,0,0,0,0,1|1,1,0]=4 2536 B15R1.362 C[Si](C)(C)OCCSc1ccccc1Cl 62a_100000764095_200000032530 [1,0,0,0,0,1|1,1,0]=4 2537 B15R1.362 C[Si](C)(C)OCCSc1ccccc1Cl 62a_200000032530_100000764095 [1,0,0,0,0,1|1,1,0]=4 2538 B15R1.362 Cc1ccccc1CCNCC(C)(C)C 2230a_100000743828_100011713688 [1,0,0,0,0,1|1,0,0]=3 2539 B15R1.362 Cc1ccccc1CCNCC(C)(C)C 270004a_100000685071_100011204126 [1,0,0,0,0,1|1,0,0]=3 2540 B15R1.362 Cc1ccccc1CCNCC(C)(C)C 34a_100000685071_100011219605 [1,0,0,0,0,1|1,0,0]=3 2541 B15R1.362 Cc1ccccc1CCNCC(C)(C)F 2230a_100020643315_100011713688 [1,0,0,0,0,1|2,0,0]=4 2542 B15R1.362 Cc1ccccc1CCNCC(C)(C)F 34a_100000685071_100011997219 [1,0,0,0,0,1|2,0,0]=4 2543 B15R1.362 Cc1ccccc1CCNCC(C)(C)O 2230a_100000751335_100011713688 [1,0,0,0,0,1|2,0,0]=4 2544 B15R1.362 Cc1ccccc1CCNCC(C)(C)O 34a_100000685071_100000764493 [1,0,0,0,0,1|2,0,0]=4 2545 B15R1.362 Cc1ccccc1CCNC[Si](C)(C)C 2230a_100000685071_100000037933 [1,0,0,0,0,1|1,1,0]=4 2546 B15R1.362 Cc1ccccc1CCOCC(C)(C)C 34a_100011220023_100011219605 [1,0,0,0,0,1|2,0,0]=4 2547 B15R1.362 Cc1ccccc1CCSCC(C)(C)C 62a_100011219605_100011713688 [1,0,0,0,0,1|2,0,0]=4 2548 B15R1.362 Cc1ccccc1CCSCC(C)(C)C 62a_100011713688_100011219605 [1,0,0,0,0,1|2,0,0]=4 2549 B15R1.362 Cc1ccccc1CNCCC(C)(C)C 207a_100000738805_100000211143 [1,0,0,0,0,1|2,0,0]=4 2550 B15R1.362 Cc1ccccc1CNCCC(C)(C)C 2230a_100000738805_100000211839 [1,0,0,0,0,1|2,0,0]=4 2551 B15R1.362 Cc1ccccc1CNCCC(C)(C)C 270004a_100000738805_100000211143 [1,0,0,0,0,1|2,0,0]=4 2552 B15R1.362 Cc1ccccc1CNCCC(C)(C)C 34a_100000174972_100000755188 [1,0,0,0,0,1|2,0,0]=4 2553 B15R1.362 Cc1ccccc1COCCC(C)(C)C 34a_100000698903_100000755188 [1,0,0,0,0,1|2,0,0]=4 2554 B15R1.362 Cc1ccccc1COCCC(C)(C)C 7a_100000698903_100000755188 [1,0,0,0,0,1|2,0,0]=4 2555 B15R1.362 Cc1ccccc1COCCC(C)(C)C 7a_100000765024_100000211839 [1,0,0,0,0,1|2,0,0]=4 2556 B15R1.362 Cc1ccccc1CSCCC(C)(C)C 62a_100000211839_100000755188 [1,0,0,0,0,1|2,0,0]=4 2557 B15R1.362 Cc1ccccc1CSCCC(C)(C)C 62a_100000755188_100000211839 [1,0,0,0,0,1|2,0,0]=4 2558 B15R1.362 Cc1ccccc1NCCOC(C)(C)C 34a_100011233185_100000210625 [1,0,0,0,0,1|2,0,0]=4 2559 B15R1.362 Cc1ccccc1OCCNC(C)(C)C 2230a_100000715429_100000184434 [1,0,0,0,0,1|1,0,0]=3 2560 B15R1.362 Cc1ccccc1OCCNC(C)(C)C 34a_100000743344_100000210625 [1,0,0,0,0,1|1,0,0]=3 2561 B15R1.362 Cc1ccccc1OCCOC(C)(C)C 34a_100015890283_100000184434 [1,0,0,0,0,1|2,0,0]=4 2562 B15R1.362 Cc1ccccc1OCCOC(C)(C)C 7a_100015890283_100000184434 [1,0,0,0,0,1|2,0,0]=4 2563 B15R1.362 Cc1ccccc1OCCSC(C)(C)C 62a_100000184434_100000211941 [1,0,0,0,0,1|2,0,0]=4 2564 B15R1.362 Cc1ccccc1OCCSC(C)(C)C 62a_100000211941_100000184434 [1,0,0,0,0,1|2,0,0]=4 2565 B15R1.9094 CC(C)(C)CNCC(O)c1ccccc1 2230a_100000743828_100000185958 [1,0,0,0,0,1|0,0,0]=2 2566 B15R1.9094 CC(C)(C)CNCC(O)c1ccccc1 270004a_100000210709_100011204126 [1,0,0,0,0,1|0,0,0]=2 2567 B15R1.9094 CC(C)(C)CNCC(O)c1ccccn1 270004a_100000691469_100011204126 [1,0,0,0,0,1|1,0,0]=3 2568 B15R1.9094 CC(C)(C)CNCC(O)c1cccnc1 270004a_100020605170_100011204126 [1,0,0,0,0,1|1,0,0]=3 2569 B15R1.9094 CC(C)(C)CNC[C@@H](O)c1ccccc1 2230a_100000743828_100011933945 [1,0,0,0,0,1|0,0,0]=2 2570 B15R1.9094 CC(C)(C)COC[C@@H](N)c1ccccc1 34a_100000751927_100011219605 [1,0,0,0,0,1|2,0,0]=4 2571 B15R1.9094 CC(C)(C)CSCC(O)c1ccccc1 62a_100000185958_100011219605 [1,0,0,0,0,1|1,0,0]=3 2572 B15R1.9094 CC(C)(C)CSCC(O)c1ccccc1 62a_100011219605_100000185958 [1,0,0,0,0,1|1,0,0]=3 2573 B15R1.9094 CC(C)(C)CSC[C@@H](O)c1ccccc1 62a_100011219605_100011933945 [1,0,0,0,0,1|1,0,0]=3 2574 B15R1.9094 CC(C)(C)CSC[C@@H](O)c1ccccc1 62a_100011933945_100011219605 [1,0,0,0,0,1|1,0,0]=3 2575 B15R1.9094 CC(C)(C)NCCC(=O)c1ccccc1 2230a_100000715429_100000750707 [1,0,0,0,0,1|0,0,2]=4 2576 B15R1.9094 CC(C)(C)NCCS(=O)c1ccccc1 2230a_100000715429_100000740319 [1,0,0,0,0,1|1,0,1]=4 2577 B15R1.9094 CC(C)(C)NCC[C@@H](O)c1ccccc1 2230a_100000715429_100000729684 [1,0,0,0,0,1|0,0,0]=2 2578 B15R1.9094 CC(C)(C)OCC[C@@H](O)c1ccccc1 34a_100015890283_100000729684 [1,0,0,0,0,1|1,0,0]=3 2579 B15R1.9094 CC(C)(C)OCC[C@@H](O)c1ccccc1 7a_100015890283_100000729684 [1,0,0,0,0,1|1,0,0]=3 2580 B15R1.9094 CC(C)(C)OCC[C@H](N)c1ccccc1 34a_100025705951_100000210625 [1,0,0,0,0,1|2,0,0]=4 2581 B15R1.9094 CC(C)(C)SCC[C@@H](O)c1ccccc1 62a_100000211941_100000729684 [1,0,0,0,0,1|1,0,0]=3 2582 B15R1.9094 CC(C)(C)SCC[C@@H](O)c1ccccc1 62a_100000729684_100000211941 [1,0,0,0,0,1|1,0,0]=3 2583 B15R1.9094 CC(C)(F)CNCC(O)c1ccccc1 2230a_100020643315_100000185958 [1,0,0,0,0,1|1,0,0]=3 2584 B15R1.9094 CC(C)(F)CNC[C@@H](O)c1ccccc1 2230a_100020643315_100011933945 [1,0,0,0,0,1|1,0,0]=3 2585 B15R1.9094 CC(C)(F)COCC(O)c1ccccc1 34a_100000716592_100000185958 [1,0,0,0,0,1|2,0,0]=4 2586 B15R1.9094 CC(C)(F)COC[C@@H](O)c1ccccc1 34a_100000716592_100011933945 [1,0,0,0,0,1|2,0,0]=4 2587 B15R1.9094 CC(C)(F)CSCC(O)c1ccccc1 62a_100000185958_100011997219 [1,0,0,0,0,1|2,0,0]=4 2588 B15R1.9094 CC(C)(F)CSCC(O)c1ccccc1 62a_100011997219_100000185958 [1,0,0,0,0,1|2,0,0]=4 2589 B15R1.9094 CC(C)(F)CSC[C@@H](O)c1ccccc1 62a_100011933945_100011997219 [1,0,0,0,0,1|2,0,0]=4 2590 B15R1.9094 CC(C)(F)CSC[C@@H](O)c1ccccc1 62a_100011997219_100011933945 [1,0,0,0,0,1|2,0,0]=4 2591 B15R1.9094 CC(C)(O)CNCC(O)c1ccccc1 2230a_100000751335_100000185958 [1,0,0,0,0,1|1,0,0]=3 2592 B15R1.9094 CC(C)(O)CNC[C@@H](O)c1ccccc1 2230a_100000751335_100011933945 [1,0,0,0,0,1|1,0,0]=3 2593 B15R1.9094 CC(C)(O)CSCC(O)c1ccccc1 62a_100000185958_100000764493 [1,0,0,0,0,1|2,0,0]=4 2594 B15R1.9094 CC(C)(O)CSCC(O)c1ccccc1 62a_100000764493_100000185958 [1,0,0,0,0,1|2,0,0]=4 2595 B15R1.9094 CC(C)(O)CSC[C@@H](O)c1ccccc1 62a_100000764493_100011933945 [1,0,0,0,0,1|2,0,0]=4 2596 B15R1.9094 CC(C)(O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000764493 [1,0,0,0,0,1|2,0,0]=4 2597 B15R1.9094 CC(C=NNC(C)(C)C)c1ccccc1 4a_100000725372_100000212034 [1,0,0,0,0,1|1,0,1]=4 2598 B15R1.9094 CC(CNCC(C)(C)C)c1ccccc1 2230a_100000743828_100000756946 [1,0,0,0,0,1|1,0,0]=3 2599 B15R1.9094 CC(CNCC(C)(C)C)c1ccccc1 270004a_100000701038_100011204126 [1,0,0,0,0,1|1,0,0]=3 2600 B15R1.9094 CC(CNCC(C)(C)C)c1ccccc1 270004a_100000743828_100000212034 [1,0,0,0,0,1|1,0,0]=3 2601 B15R1.9094 CC(CNCC(C)(C)C)c1ccccc1 34a_100000701038_100011219605 [1,0,0,0,0,1|1,0,0]=3 2602 B15R1.9094 CC(CNCC(C)(C)F)c1ccccc1 2230a_100020643315_100000756946 [1,0,0,0,0,1|2,0,0]=4 2603 B15R1.9094 CC(CNCC(C)(C)F)c1ccccc1 270004a_100020643315_100000212034 [1,0,0,0,0,1|2,0,0]=4 2604 B15R1.9094 CC(CNCC(C)(C)F)c1ccccc1 34a_100000701038_100011997219 [1,0,0,0,0,1|2,0,0]=4 2605 B15R1.9094 CC(CNCC(C)(C)O)c1ccccc1 2230a_100000751335_100000756946 [1,0,0,0,0,1|2,0,0]=4 2606 B15R1.9094 CC(CNCC(C)(C)O)c1ccccc1 270004a_100000751335_100000212034 [1,0,0,0,0,1|2,0,0]=4 2607 B15R1.9094 CC(CNCC(C)(C)O)c1ccccc1 34a_100000701038_100000764493 [1,0,0,0,0,1|2,0,0]=4 2608 B15R1.9094 CC(CNC[Si](C)(C)C)c1ccccc1 2230a_100000701038_100000037933 [1,0,0,0,0,1|1,1,0]=4 2609 B15R1.9094 CC(COCC(C)(C)C)c1ccccc1 34a_100011215166_100011219605 [1,0,0,0,0,1|2,0,0]=4 2610 B15R1.9094 CC(CSCC(C)(C)C)c1ccccc1 62a_100000756946_100011219605 [1,0,0,0,0,1|2,0,0]=4 2611 B15R1.9094 CC(CSCC(C)(C)C)c1ccccc1 62a_100011219605_100000756946 [1,0,0,0,0,1|2,0,0]=4 2612 B15R1.9094 CC(NCCC(C)(C)C)c1ccccc1 2230a_100000738805_100000230085 [1,0,0,0,0,1|2,0,0]=4 2613 B15R1.9094 CC(NCCC(C)(C)C)c1ccccc1 269862a_100000738805_100000185851 [1,0,0,0,0,1|2,0,0]=4 2614 B15R1.9094 CC(OCCC(C)(C)C)c1ccccc1 7a_100000765024_100000230085 [1,0,0,0,0,1|2,0,0]=4 2615 B15R1.9094 CC(SCCC(C)(C)C)c1ccccc1 62a_100000230085_100000755188 [1,0,0,0,0,1|2,0,0]=4 2616 B15R1.9094 CC(SCCC(C)(C)C)c1ccccc1 62a_100000755188_100000230085 [1,0,0,0,0,1|2,0,0]=4 2617 B15R1.9094 C[C@@H](NCCC(C)(C)C)c1ccccc1 2230a_100000751104_100000755188 [1,0,0,0,0,1|2,0,0]=4 2618 B15R1.9094 C[C@@H](OCCC(C)(C)C)c1ccccc1 34a_100000761318_100000755188 [1,0,0,0,0,1|2,0,0]=4 2619 B15R1.9094 C[C@@H](OCCC(C)(C)C)c1ccccc1 7a_100000761318_100000755188 [1,0,0,0,0,1|2,0,0]=4 2620 B15R1.9094 C[N+](C)(C)CSCC(O)c1ccccc1 62a_100000185958_200000036245 [1,0,0,0,0,1|2,0,0]=4 2621 B15R1.9094 C[N+](C)(C)CSCC(O)c1ccccc1 62a_200000036245_100000185958 [1,0,0,0,0,1|2,0,0]=4 2622 B15R1.9094 C[N+](C)(C)CSC[C@@H](O)c1ccccc1 62a_100011933945_200000036245 [1,0,0,0,0,1|2,0,0]=4 2623 B15R1.9094 C[N+](C)(C)CSC[C@@H](O)c1ccccc1 62a_200000036245_100011933945 [1,0,0,0,0,1|2,0,0]=4 2624 B15R1.9094 C[Si](C)(C)CNCC(O)c1ccccc1 2230a_100000210709_100000037933 [1,0,0,0,0,1|0,1,0]=3 2625 B15R1.9094 C[Si](C)(C)CNCC(O)c1ccccn1 2230a_100000691469_100000037933 [1,0,0,0,0,1|1,1,0]=4 2626 B15R1.9094 C[Si](C)(C)CNCC(O)c1cccnc1 2230a_100020605170_100000037933 [1,0,0,0,0,1|1,1,0]=4 2627 B15R1.9094 C[Si](C)(C)CSCC(O)c1ccccc1 62a_100000037933_100000185958 [1,0,0,0,0,1|1,1,0]=4 2628 B15R1.9094 C[Si](C)(C)CSCC(O)c1ccccc1 62a_100000185958_100000037933 [1,0,0,0,0,1|1,1,0]=4 2629 B15R1.9094 C[Si](C)(C)CSC[C@@H](O)c1ccccc1 62a_100000037933_100011933945 [1,0,0,0,0,1|1,1,0]=4 2630 B15R1.9094 C[Si](C)(C)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000037933 [1,0,0,0,0,1|1,1,0]=4 2631 B17R1.8992 CC(C)(C)CNCC(=O)Nc1ccccc1Cl 2230a_100000743828_100000182448 [0,0,0,0,0,2|0,0,2]=4 2632 B17R1.8992 CC(C)(C)COCC(N)Cc1ccccc1Cl 34a_100012001541_100011219605 [0,0,0,0,0,2|2,0,0]=4 2633 B17R1.8992 CC(C)(C)NCCC(=O)Nc1ccccc1Cl 2230a_100000715429_100000242055 [0,0,0,0,0,2|0,0,2]=4 2634 B17R1.8992 CC(CNCC(C)(C)C)Oc1ccccc1Cl 270004a_100000763343_100011204126 [0,0,0,0,0,2|1,0,0]=3 2635 B17R1.8992 CC(CNCC(C)(C)C)Oc1ccccc1Cl 34a_100000763343_100011219605 [0,0,0,0,0,2|1,0,0]=3 2636 B17R1.8992 CC(CNCC(C)(C)F)Oc1ccccc1Cl 34a_100000763343_100011997219 [0,0,0,0,0,2|2,0,0]=4 2637 B17R1.8992 CC(CNCC(C)(C)O)Oc1ccccc1Cl 34a_100000763343_100000764493 [0,0,0,0,0,2|2,0,0]=4 2638 B17R1.8992 CC(CNC[Si](C)(C)C)Oc1ccccc1Cl 2230a_100000763343_100000037933 [0,0,0,0,0,2|1,1,0]=4 2639 B17R1.8992 CC(Cc1ccccc1Cl)NCCC(C)(C)C 270004a_100000738805_100000758791 [0,0,0,0,0,2|2,0,0]=4 2640 B17R1.9032 CC(C)(C)CCNCC(O)c1ccccc1Br 2230a_100011236429_100000755188 [0,0,0,0,0,2|0,1,0]=3 2641 B17R1.9032 CC(C)(C)CCNCC(O)c1ccccc1Cl 2230a_200000759403_100000755188 [0,0,0,0,0,2|0,0,0]=2 2642 B17R1.9032 CC(C)(C)CCNCC(O)c1ccccc1Cl 34a_200000759403_100000755188 [0,0,0,0,0,2|0,0,0]=2 2643 B17R1.9032 CC(C)(C)CCOCC(N)c1ccccc1Cl 34a_100138412506_100000755188 [0,0,0,0,0,2|2,0,0]=4 2644 B17R1.9032 CC(C)(C)COCCC(N)c1ccccc1Cl 34a_100011661560_100011219605 [0,0,0,0,0,2|2,0,0]=4 2645 B17R1.9032 CC(C)(C)NCCNC(=O)c1ccccc1Cl 34a_100000737833_100000210625 [0,0,0,0,0,2|0,0,2]=4 2646 B17R1.9032 CC(C)(O)CCNCC(O)c1ccccc1Br 2230a_100011236429_100000702414 [0,0,0,0,0,2|1,1,0]=4 2647 B17R1.9032 CC(C)(O)CCNCC(O)c1ccccc1Cl 2230a_200000759403_100000702414 [0,0,0,0,0,2|1,0,0]=3 2648 B17R1.9032 CC(C)(O)CCNCC(O)c1ccccc1Cl 34a_200000759403_100000702414 [0,0,0,0,0,2|1,0,0]=3 2649 B17R1.9032 CC(NCCOC(C)(C)C)c1ccccc1Cl 2230a_100000747557_100000181259 [0,0,0,0,0,2|2,0,0]=4 2650 B17R1.9032 CC(NCCOC(C)(C)C)c1ccccc1Cl 269862a_100000747557_100000210134 [0,0,0,0,0,2|2,0,0]=4 2651 B17R1.9032 CC(NCCSC(C)(C)C)c1ccccc1Cl 2230a_100000689375_100000181259 [0,0,0,0,0,2|2,0,0]=4 2652 B17R1.9032 CC(NCCSC(C)(C)C)c1ccccc1Cl 269862a_100000689375_100000210134 [0,0,0,0,0,2|2,0,0]=4 2653 B17R1.9032 CC(OCCOC(C)(C)C)c1ccccc1Cl 7a_100000693234_100000181259 [0,0,0,0,0,2|2,0,0]=4 2654 B17R1.9032 C[N+](C)(C)CCNCC(O)c1ccccc1Cl 34a_200000759403_100000085578 [0,0,0,0,0,2|1,0,0]=3 2655 B17R1.9032 C[Si](C)(C)CCNCC(O)c1ccccc1Br 2230a_100011236429_200000733723 [0,0,0,0,0,2|0,2,0]=4 2656 B17R1.9032 C[Si](C)(C)CCNCC(O)c1ccccc1Cl 2230a_200000759403_200000733723 [0,0,0,0,0,2|0,1,0]=3 2657 B17R1.9032 C[Si](C)(C)CCNCC(O)c1ccccc1Cl 34a_200000759403_200000733723 [0,0,0,0,0,2|0,1,0]=3 2658 B17R1.11257 CC(COC(C)(C)C)OCc1ccccc1Cl 7a_100011215624_100000187162 [0,0,0,0,0,2|2,0,0]=4 2659 B17R1.11257 CC(CSC(C)(C)C)NCc1ccccc1Cl 270004a_100000174879_100000175412 [0,0,0,0,0,2|2,0,0]=4