0 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,0,0,0,0,0|1,0,0]=1 12 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [1,0,0,0,0,0|3,0,0]=4 65 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,1,0,0,0,0|1,0,0]=2 75 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,1,0,0,0,0|1,0,0]=2 76 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,1,0,0,0,0|1,0,0]=2 77 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,1,0,0,0,0|2,0,0]=3 99 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,1,0,0,0,0|1,0,0]=2 102 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,1,0,0,0,0|1,0,2]=4 103 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,1,0,0,0,0|1,0,0]=2 105 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,1,0,0,0,0|1,0,0]=2 106 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,1,0,0,0,0|1,0,0]=2 107 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.34 C=C(C(=O)CF)c1ccccc1 1458a_100000065200_100015361967 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.34 CC(C(=O)CF)c1ccccn1 1458a_100000722050_100015361967 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,1,0,0,0,0|1,0,0]=2 117 B12R1.34 CC(C(=O)CO)c1cnccn1 1458a_100000210174_200000703233 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,0,0,0,0|2,0,0]=3 119 B12R1.34 CCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210202 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,0,0,0,0|2,0,0]=3 125 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,1,0,0,0,0|1,0,0]=2 126 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.34 CNC(=O)C(C)c1ccccn1 11a_106832991635_100000722050 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.34 CNC(=O)C(C)c1ccccn1 1626a_100102657272_100000722050 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.34 CNC(=O)C(C)c1ccccn1 240690a_100102657272_100000722050 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.34 CNC(=O)C(C)c1ccccn1 527a_100102657272_100000722050 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,1,0,0,0,0|3,0,0]=4 136 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,1,0,0,0,0|1,0,0]=2 141 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,1,0,0,0,0|2,0,1]=4 142 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,1,0,0,0,0|2,0,1]=4 144 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [0,1,0,0,0,0|2,0,0]=3 147 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [0,1,0,0,0,0|2,0,0]=3 149 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [0,1,0,0,0,0|2,0,0]=3 150 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [0,1,0,0,0,0|1,0,0]=2 151 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [0,1,0,0,0,0|1,0,0]=2 152 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [0,1,0,0,0,0|1,0,0]=2 153 B12R1.124 CC(=O)N(C)c1ccccc1Br 11a_100020606079_100015343762 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.124 CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100015343762 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.124 CC(=O)N(C)c1ccccc1Cl 11a_100000219374_100015343762 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.124 CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100015343762 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.124 CC(=O)N(C)c1ccccc1F 11a_100000220357_100015343762 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.124 CC(=O)N(C)c1ccccc1F 1626a_100000220357_100015343762 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.124 CC(=O)N(C)c1ccccc1F 22a_100000220357_100000070787 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [0,1,0,0,0,0|1,0,0]=2 168 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [0,1,0,0,0,0|1,0,0]=2 169 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [0,1,0,0,0,0|1,0,0]=2 170 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [0,1,0,0,0,0|2,0,0]=3 171 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [0,1,0,0,0,0|2,0,0]=3 173 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,1,0,0,0,0|1,0,0]=2 174 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,1,0,0,0,0|1,0,0]=2 175 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,1,0,0,0,0|1,0,0]=2 176 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100015343762 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100015343762 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000070787 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100103153847 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100015343762 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100015343762 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000070787 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.225 CC(=O)N(C)c1cccc(c1)F 11a_100020633736_100015343762 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.225 CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100015343762 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.225 CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000070787 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.225 CC(=O)N(C)c1cccc(c1)I 11a_100000221217_100015343762 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.225 CC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100015343762 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.225 CC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000070787 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [0,1,0,0,0,0|2,0,0]=3 195 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [0,1,0,0,0,0|2,0,0]=3 196 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [0,1,0,0,0,0|2,0,0]=3 197 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,1,0,0,0,0|1,0,0]=2 198 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,1,0,0,0,0|1,0,0]=2 200 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,1,0,0,0,0|1,0,0]=2 201 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000070787_100000034625 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000211857_200000210301 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.253 CC(=O)C(F)(F)c1ccccc1 1458a_100000070787_100000036403 [0,1,0,0,0,0|2,0,0]=3 204 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [0,1,0,0,0,0|1,0,0]=2 205 B12R1.253 CC(C)(C(=O)[13CH3])c1ccccc1 1458a_100000211857_200025704644 [0,1,0,0,0,0|2,0,0]=3 206 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [0,1,0,0,0,0|1,0,0]=2 207 B12R1.478 C=C(C)C(OC)c1ccccc1 34a_200011216824_200000210301 [0,1,0,0,0,0|2,0,0]=3 208 B12R1.478 C=C(C)C(OC)c1ccccc1 7a_200011216824_200000210301 [0,1,0,0,0,0|2,0,0]=3 209 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 34a_200011216824_200025704644 [0,1,0,0,0,0|2,0,0]=3 210 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 7a_200011216824_200025704644 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,1,0,0,0,0|1,0,0]=2 212 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,1,0,0,0,0|1,1,0]=3 213 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,1,0,0,0,0|1,1,0]=3 214 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 34a_200011217822_200025704644 [0,1,0,0,0,0|2,0,1]=4 215 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 7a_200011217822_200025704644 [0,1,0,0,0,0|2,0,1]=4 216 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,1,0,0,0,0|2,0,0]=3 218 B12R1.478 CCN(C(=O)C)c1ccccc1 11a_100000210013_100015343762 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.478 CCN(C(=O)C)c1ccccc1 1626a_100000210013_100015343762 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.478 CCN(C(=O)C)c1ccccc1 22a_100000210013_100000070787 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,1,0,0,0,0|2,0,0]=3 224 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,1,0,0,0,0|2,0,0]=3 225 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,1,0,0,0,0|1,0,0]=2 226 B12R1.478 CNC(C(=O)O)c1ccccn1 269956a_200016167988_200000210301 [0,1,0,0,0,0|2,0,0]=3 227 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,1,0,0,0,0|2,0,0]=3 228 B12R1.478 CN[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_200000210301 [0,1,0,0,0,0|1,0,2]=4 229 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [0,1,0,0,0,0|2,0,1]=4 230 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,1,0,0,0,0|1,0,0]=2 231 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,1,0,0,0,0|1,0,0]=2 232 B12R1.478 COC(c1ccccc1)C(C)C 34a_200011217822_200000210301 [0,1,0,0,0,0|2,0,1]=4 233 B12R1.478 COC(c1ccccc1)C(C)C 7a_200011217822_200000210301 [0,1,0,0,0,0|2,0,1]=4 234 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,1,0,0,0,0|1,0,0]=2 235 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,1,0,0,0,0|1,0,0]=2 236 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,1,0,0,0,0|1,1,0]=3 237 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,1,0,0,0,0|1,1,0]=3 238 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,1,0,0,0,0|1,1,0]=3 239 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,1,0,0,0,0|1,1,0]=3 240 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [0,1,0,0,0,0|2,0,1]=4 241 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,1,0,0,0,0|1,0,0]=2 242 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,1,0,0,0,0|1,0,0]=2 243 B12R1.478 [13CH3]NC(C(=O)O)c1ccccn1 269956a_200016167988_200025704644 [0,1,0,0,0,0|2,0,0]=3 244 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,1,0,0,0,0|2,0,0]=3 245 B12R1.478 [13CH3]N[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_200025704644 [0,1,0,0,0,0|1,0,2]=4 246 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,1,0,0,0,0|1,0,0]=2 247 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,1,0,0,0,0|1,0,0]=2 248 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,1,0,0,0,0|1,1,0]=3 249 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,1,0,0,0,0|1,1,0]=3 250 B10R0.81 C=CC=CC(=O)C(C)C(=O)C 1458a_100016291481_100000179758 [0,0,1,0,0,0|3,0,0]=4 251 B10R0.81 C=CC=CC(=O)C(C)C(=O)N 1458a_100016291481_100000702099 [0,0,1,0,0,0|3,0,0]=4 252 B10R0.81 C=CC=CC(=O)C(F)C(=O)N 1458a_100016291481_100009813875 [0,0,1,0,0,0|3,0,0]=4 253 B10R0.81 C=CC=CC(=O)C(F)C(=O)[O-] 1458a_100016291481_100020610796 [0,0,1,0,0,0|2,0,1]=4 254 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,1,0,0|1,1,1]=4 255 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,1,0,0|1,0,1]=3 256 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,1,0,0|1,1,1]=4 257 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,0,0,1,0,0|3,0,0]=4 258 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,0|2,0,0]=3 259 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,0|2,0,0]=3 260 B10R1.23 CC(=O)C(C)n1cccc1 1458a_100000243804_200000210301 [0,0,0,0,1,0|3,0,0]=4 261 B10R1.23 CC(C(=O)[13CH3])n1cccc1 1458a_100000243804_200025704644 [0,0,0,0,1,0|3,0,0]=4 262 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,0,0,0,0,1|2,0,1]=4 263 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,0,0,0,0,1|2,0,1]=4 264 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,0,0,0,0,1|2,0,1]=4 265 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,0,0,0,0,1|2,0,1]=4 266 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,0,0,0,0,1|1,0,2]=4 267 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,0,0,0,0,1|2,0,0]=3 268 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,0,0,0,0,1|2,0,0]=3 269 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,0,0,0,0,1|3,0,0]=4 270 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,0,0,0,0,1|2,0,0]=3 271 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,0,0,0,0,1|2,0,0]=3 272 B12R1.43 CC(=O)C(C)Oc1cccnc1 7a_100000210849_100000179758 [0,0,0,0,0,1|3,0,0]=4 273 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,0,0,0,0,1|2,0,0]=3 274 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,0,0,0,0,1|2,0,0]=3 275 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,0,0,0,0,1|2,0,0]=3 276 B12R1.43 CC(=O)C(C)Sc1ccccn1 1458a_100000156770_200000210301 [0,0,0,0,0,1|3,0,0]=4 277 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100009814033_100011216584 [0,0,0,0,0,1|3,0,0]=4 278 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100011216584_100009814033 [0,0,0,0,0,1|3,0,0]=4 279 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100000210063_100009814033 [0,0,0,0,0,1|3,0,0]=4 280 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100009814033_100000210063 [0,0,0,0,0,1|3,0,0]=4 281 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100000728582_100009814033 [0,0,0,0,0,1|3,0,0]=4 282 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100009814033_100000728582 [0,0,0,0,0,1|3,0,0]=4 283 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,0,0,0,0,1|3,0,0]=4 284 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,0,0,0,0,1|3,0,0]=4 285 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,0,0,0,0,1|3,0,0]=4 286 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,0,0,0,0,1|3,0,0]=4 287 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,0,0,0,0,1|1,0,0]=2 288 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,0,0,0,0,1|2,0,0]=3 289 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,0,0,0,0,1|3,0,0]=4 290 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,0,0,0,0,1|2,0,0]=3 291 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,0,0,0,0,1|2,0,0]=3 292 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,0,0,0,0,1|2,0,0]=3 293 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,0,0,0,0,1|2,0,0]=3 294 B12R1.43 CC(Oc1cccnc1)C(=O)N 34a_100000210849_100000702099 [0,0,0,0,0,1|3,0,0]=4 295 B12R1.43 CC(Oc1cccnc1)C(=O)N 7a_100000210849_100000702099 [0,0,0,0,0,1|3,0,0]=4 296 B12R1.43 CC(Oc1ccncc1)C(=O)N 34a_100000212176_100000702099 [0,0,0,0,0,1|3,0,0]=4 297 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,0,0,0,0,1|2,0,0]=3 298 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,0,0,0,0,1|2,0,0]=3 299 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,0,0,0,0,1|2,0,0]=3 300 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100000702099_100011216584 [0,0,0,0,0,1|3,0,0]=4 301 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100011216584_100000702099 [0,0,0,0,0,1|3,0,0]=4 302 B12R1.43 CC(Sc1ccccn1)C(=O)[13CH3] 1458a_100000156770_200025704644 [0,0,0,0,0,1|3,0,0]=4 303 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000210063_100000702099 [0,0,0,0,0,1|3,0,0]=4 304 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000702099_100000210063 [0,0,0,0,0,1|3,0,0]=4 305 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000702099_100000728582 [0,0,0,0,0,1|3,0,0]=4 306 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000728582_100000702099 [0,0,0,0,0,1|3,0,0]=4 307 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,0,0,0,0,1|1,0,2]=4 308 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,0,0,0,0,1|2,0,0]=3 309 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,0,0,0,0,1|2,0,0]=3 310 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,0,0,0,0,1|2,0,0]=3 311 B12R1.43 NC(=O)C(F)Oc1cccnc1 34a_100000210849_100009813875 [0,0,0,0,0,1|3,0,0]=4 312 B12R1.43 NC(=O)C(F)Oc1cccnc1 7a_100000210849_100009813875 [0,0,0,0,0,1|3,0,0]=4 313 B12R1.43 NC(=O)C(F)Oc1ccncc1 34a_100000212176_100009813875 [0,0,0,0,0,1|3,0,0]=4 314 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,0,0,0,0,1|2,0,0]=3 315 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,0,0,0,0,1|2,0,0]=3 316 B12R1.43 NC(=O)C(F)Sc1ccccn1 62a_100009813875_100011216584 [0,0,0,0,0,1|3,0,0]=4 317 B12R1.43 NC(=O)C(F)Sc1ccccn1 62a_100011216584_100009813875 [0,0,0,0,0,1|3,0,0]=4 318 B12R1.43 NC(=O)C(F)Sc1cccnc1 62a_100000210063_100009813875 [0,0,0,0,0,1|3,0,0]=4 319 B12R1.43 NC(=O)C(F)Sc1cccnc1 62a_100009813875_100000210063 [0,0,0,0,0,1|3,0,0]=4 320 B12R1.43 NC(=O)C(F)Sc1ccncc1 62a_100000728582_100009813875 [0,0,0,0,0,1|3,0,0]=4 321 B12R1.43 NC(=O)C(F)Sc1ccncc1 62a_100009813875_100000728582 [0,0,0,0,0,1|3,0,0]=4 322 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,0,0,0,0,1|1,0,1]=3 323 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,0,0,0,0,1|1,0,1]=3 324 B12R1.43 O=C([O-])C(F)Oc1cccnc1 34a_100000210849_100020610796 [0,0,0,0,0,1|2,0,1]=4 325 B12R1.43 O=C([O-])C(F)Oc1ccncc1 34a_100000212176_100020610796 [0,0,0,0,0,1|2,0,1]=4 326 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,0,0,0,0,1|1,0,1]=3 327 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,0,0,0,0,1|1,0,1]=3 328 B12R1.43 O=C([O-])C(F)Sc1ccccn1 62a_100011216584_100020610796 [0,0,0,0,0,1|2,0,1]=4 329 B12R1.43 O=C([O-])C(F)Sc1ccccn1 62a_100020610796_100011216584 [0,0,0,0,0,1|2,0,1]=4 330 B12R1.43 O=C([O-])C(F)Sc1cccnc1 62a_100000210063_100020610796 [0,0,0,0,0,1|2,0,1]=4 331 B12R1.43 O=C([O-])C(F)Sc1cccnc1 62a_100020610796_100000210063 [0,0,0,0,0,1|2,0,1]=4 332 B12R1.43 O=C([O-])C(F)Sc1ccncc1 62a_100000728582_100020610796 [0,0,0,0,0,1|2,0,1]=4 333 B12R1.43 O=C([O-])C(F)Sc1ccncc1 62a_100020610796_100000728582 [0,0,0,0,0,1|2,0,1]=4 334 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,0,0,0,0,1|2,0,1]=4 335 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,0,0,0,0,1|2,0,1]=4 336 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,0,0,0,0,1|1,0,2]=4 337 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,0,0,0,0,1|1,0,0]=2 338 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,0,0,0,0,1|2,0,1]=4 339 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,0,0,0,0,1|2,0,1]=4 340 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,0,0,0,0,1|1,0,2]=4 341 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,0,0,0,0,1|2,0,0]=3 342 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,0,0,0,0,1|2,0,0]=3 343 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,0,0,0,0,1|1,0,0]=2 344 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,0,0,0,0,1|1,0,0]=2 345 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,0,0,0,0,1|3,0,0]=4 346 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,0,0,0,0,1|1,0,0]=2 347 B12R1.107 CC(=O)NC(C)c1ccccn1 11a_100000181244_100015343762 [0,0,0,0,0,1|3,0,0]=4 348 B12R1.107 CC(=O)NC(C)c1ccccn1 1626a_100000181244_100015343762 [0,0,0,0,0,1|3,0,0]=4 349 B12R1.107 CC(=O)NC(C)c1ccccn1 240690a_100000181244_100015343762 [0,0,0,0,0,1|3,0,0]=4 350 B12R1.107 CC(=O)NC(C)c1ccccn1 527a_100000181244_100103153847 [0,0,0,0,0,1|3,0,0]=4 351 B12R1.107 CC(=O)NC(C)c1cccnc1 11a_100000195435_100015343762 [0,0,0,0,0,1|3,0,0]=4 352 B12R1.107 CC(=O)NC(C)c1cccnc1 240690a_100000195435_100015343762 [0,0,0,0,0,1|3,0,0]=4 353 B12R1.107 CC(=O)NC(C)c1cccnc1 527a_100000195435_100103153847 [0,0,0,0,0,1|3,0,0]=4 354 B12R1.107 CC(=O)NC(C)c1ccncc1 240690a_100000181269_100015343762 [0,0,0,0,0,1|3,0,0]=4 355 B12R1.107 CC(=O)NC(C)c1ccncc1 527a_100000181269_100103153847 [0,0,0,0,0,1|3,0,0]=4 356 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,0,0,0,0,1|2,0,0]=3 357 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,0,0,0,0,1|2,0,0]=3 358 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,0,0,0,0,1|2,0,0]=3 359 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,0,0,0,0,1|2,0,0]=3 360 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,0,0,0,0,1|2,0,0]=3 361 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [0,0,0,0,0,1|3,0,0]=4 362 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [0,0,0,0,0,1|3,0,0]=4 363 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [0,0,0,0,0,1|3,0,0]=4 364 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [0,0,0,0,0,1|3,0,0]=4 365 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,0,0,0,0,1|3,0,0]=4 366 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,0,0,0,0,1|3,0,0]=4 367 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,0,0,0,0,1|3,0,0]=4 368 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,0,0,0,0,1|3,0,0]=4 369 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,0,0,0,0,1|3,0,0]=4 370 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,0,0,0,0,1|2,0,0]=3 371 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,0,0,0,0,1|3,0,0]=4 372 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,0,0,0,0,1|2,0,1]=4 373 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,0,0,0,0,1|2,0,1]=4 374 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [0,0,0,0,0,1|3,0,0]=4 375 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [0,0,0,0,0,1|3,0,0]=4 376 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,0,0,0,0,1|1,0,2]=4 377 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,0,0,0,0,1|0,0,3]=4 378 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,0,0,0,0,1|1,0,0]=2 379 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,0,0,0,0,1|3,0,0]=4 380 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,0,0,0,0,1|3,0,0]=4 381 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,0,0,0,0,1|2,0,0]=3 382 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [1,0,1,0,0,0|2,0,0]=4 383 B9R0.4 C=CC=CC(=O)CC(=O)[O-] 1458a_100016291481_100020667443 [1,0,1,0,0,0|1,0,1]=4 384 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|1,0,1]=4 385 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|1,0,1]=4 386 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|1,0,1]=4 387 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|1,0,1]=4 388 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|2,0,0]=4 406 B11R0.73 C=CC=CC(=O)C(C)C(=O)OC 1458a_100016291481_100000211248 [0,1,1,0,0,0|2,0,0]=4 407 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [1,1,0,0,0,0|1,0,1]=4 408 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [1,1,0,0,0,0|1,0,1]=4 409 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [1,1,0,0,0,0|1,0,1]=4 410 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [1,1,0,0,0,0|1,0,1]=4 411 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [1,1,0,0,0,0|1,0,0]=3 413 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [1,1,0,0,0,0|1,0,0]=3 414 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [1,1,0,0,0,0|1,0,0]=3 415 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [1,1,0,0,0,0|1,1,0]=4 417 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [1,1,0,0,0,0|1,1,0]=4 418 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [1,1,0,0,0,0|1,1,0]=4 419 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [1,1,0,0,0,0|1,1,0]=4 420 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [1,1,0,0,0,0|1,0,1]=4 421 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [1,1,0,0,0,0|1,0,1]=4 422 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [1,1,0,0,0,0|1,0,1]=4 423 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [1,1,0,0,0,0|1,0,1]=4 424 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [1,1,0,0,0,0|1,0,1]=4 425 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|1,0,1]=4 426 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [1,1,0,0,0,0|1,0,1]=4 427 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [1,1,0,0,0,0|1,0,1]=4 428 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [1,1,0,0,0,0|1,0,1]=4 429 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [1,1,0,0,0,0|1,0,1]=4 430 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [1,1,0,0,0,0|1,0,1]=4 431 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [1,1,0,0,0,0|1,0,1]=4 432 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|1,0,1]=4 433 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [1,1,0,0,0,0|1,0,1]=4 435 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [1,1,0,0,0,0|1,0,1]=4 436 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [1,1,0,0,0,0|1,0,1]=4 437 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,1,0,0,0,0|1,0,1]=4 439 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,1,0,0,0,0|1,0,1]=4 440 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,1,0,0,0,0|1,0,1]=4 445 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,1,0,0,0,0|1,0,1]=4 446 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,1,0,0,0,0|1,0,1]=4 447 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,1,0,0,0,0|1,0,1]=4 448 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,1,0,0,0,0|1,0,1]=4 449 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,1,0,0,0,0|1,0,1]=4 450 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,1,0,0,0,0|1,0,1]=4 451 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,1,0,0,0,0|1,0,1]=4 452 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,1,0,0,0,0|1,0,1]=4 453 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,1,0,0,0,0|0,0,1]=3 454 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,1,0,0,0,0|0,0,1]=3 456 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,1,0,0,0,0|0,1,1]=4 457 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,1,0,0,0,0|0,1,1]=4 458 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,1,0,0,0,0|0,1,1]=4 459 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,1,0,0,0,0|0,1,1]=4 460 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|1,0,1]=4 462 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,1,0,0,0,0|0,1,1]=4 463 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,1,0,0,0,0|0,1,1]=4 464 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,1,0,0,0,0|0,1,1]=4 465 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,1,0,0,0,0|0,1,1]=4 466 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,1,0,0,0,0|0,0,2]=4 470 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,1,0,0,0,0|0,0,1]=3 471 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [1,1,0,0,0,0|1,0,1]=4 472 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [1,1,0,0,0,0|0,0,2]=4 474 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [1,1,0,0,0,0|1,0,1]=4 476 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,1,0,0,0,0|1,0,0]=3 477 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,1,0,0,0,0|1,0,0]=3 478 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,1,0,0,0,0|1,0,0]=3 479 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,1,0,0,0,0|1,0,0]=3 480 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,1,0,0,0,0|1,0,0]=3 481 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,1,0,0,0,0|1,0,0]=3 484 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,1,0,0,0,0|1,0,0]=3 487 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,1,0,0,0,0|1,0,0]=3 528 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,1,0,0,0,0|1,0,0]=3 531 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,1,0,0,0,0|1,0,0]=3 535 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,1,0,0,0,0|1,0,0]=3 536 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,1,0,0,0,0|1,0,0]=3 537 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,1,0,0,0,0|1,0,0]=3 538 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,1,0,0,0,0|1,0,0]=3 539 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [1,1,0,0,0,0|2,0,0]=4 542 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [1,1,0,0,0,0|1,0,0]=3 545 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.40 C#CC(=O)Cc1ccncc1 1458a_100000211873_100000705612 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,1,0,0,0,0|1,0,0]=3 549 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,1,0,0,0,0|2,0,0]=4 554 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,1,0,0,0,0|1,0,1]=4 555 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,1,0,0,0,0|1,0,1]=4 556 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,1,0,0,0,0|1,0,0]=3 558 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 564 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [1,1,0,0,0,0|2,0,0]=4 574 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,1,0,0,0,0|1,0,1]=4 578 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,1,0,0,0,0|1,0,1]=4 579 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,1,0,0,0,0|1,0,1]=4 580 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [1,1,0,0,0,0|2,0,0]=4 581 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,1,0,0,0,0|0,0,0]=2 584 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [1,1,0,0,0,0|1,0,0]=3 585 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [1,1,0,0,0,0|1,0,0]=3 586 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [1,1,0,0,0,0|1,0,0]=3 588 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,1,0,0,0,0|1,0,0]=3 592 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,1,0,0,0,0|1,0,0]=3 593 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [1,1,0,0,0,0|1,0,0]=3 595 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,1,0,0,0,0|1,0,0]=3 596 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,1,0,0,0,0|1,0,0]=3 597 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [1,1,0,0,0,0|1,0,0]=3 598 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [1,1,0,0,0,0|1,0,0]=3 599 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [1,1,0,0,0,0|1,0,0]=3 600 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [1,1,0,0,0,0|1,0,0]=3 601 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [1,1,0,0,0,0|1,0,0]=3 602 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [1,1,0,0,0,0|1,0,0]=3 603 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,1,0,0,0,0|1,0,0]=3 604 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,1,0,0,0,0|1,0,0]=3 605 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [1,1,0,0,0,0|2,0,0]=4 617 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [1,1,0,0,0,0|2,0,0]=4 633 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,1,0,0,0,0|2,0,0]=4 640 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,1,0,0,0,0|1,0,0]=3 643 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,1,0,0,0,0|1,0,0]=3 645 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [1,1,0,0,0,0|1,0,0]=3 647 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [1,1,0,0,0,0|1,0,0]=3 648 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [1,1,0,0,0,0|1,0,0]=3 649 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [1,1,0,0,0,0|1,0,0]=3 650 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,1,0,0,0,0|1,0,0]=3 651 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [1,1,0,0,0,0|2,0,0]=4 656 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [1,1,0,0,0,0|2,0,0]=4 657 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,1,0,0,0,0|1,0,0]=3 659 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,1,0,0,0,0|1,0,0]=3 660 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,1,0,0,0,0|1,0,0]=3 661 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,1,0,0,0,0|1,0,0]=3 662 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,1,0,0,0,0|1,0,0]=3 663 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,1,0,0,0,0|1,0,0]=3 664 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,1,0,0,0,0|1,0,0]=3 665 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,1,0,0,0,0|1,0,0]=3 666 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,1,0,0,0,0|1,0,0]=3 667 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,1,0,0,0,0|1,0,0]=3 668 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,1,0,0,0,0|1,0,0]=3 669 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,1,0,0,0,0|1,0,0]=3 670 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,1,0,0,0,0|1,0,0]=3 671 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [1,1,0,0,0,0|2,0,0]=4 681 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [1,1,0,0,0,0|2,0,0]=4 685 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [1,1,0,0,0,0|2,0,0]=4 687 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [1,1,0,0,0,0|2,0,0]=4 690 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [1,1,0,0,0,0|2,0,0]=4 691 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [1,1,0,0,0,0|2,0,0]=4 692 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [1,1,0,0,0,0|2,0,0]=4 695 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,1,0,0,0,0|2,0,0]=4 710 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,1,0,0,0,0|1,0,0]=3 714 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [1,1,0,0,0,0|2,0,0]=4 715 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,1,0,0,0,0|1,0,0]=3 716 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,1,0,0,0,0|2,0,0]=4 717 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,1,0,0,0,0|1,0,0]=3 718 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,1,0,0,0,0|1,0,0]=3 719 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,1,0,0,0,0|1,0,0]=3 720 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,1,0,0,0,0|1,0,0]=3 721 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,1,0,0,0,0|1,0,0]=3 722 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [1,1,0,0,0,0|2,0,0]=4 727 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [1,1,0,0,0,0|2,0,0]=4 728 B11R1.298 CNC(C(=O)O)c1cccs1 269956a_100000684786_200000210301 [0,1,0,0,1,0|2,0,0]=4 729 B11R1.298 CNC(C(=O)O)c1ccsc1 269956a_100000702404_200000210301 [0,1,0,0,1,0|2,0,0]=4 730 B11R1.298 [13CH3]NC(C(=O)O)c1cccs1 269956a_100000684786_200025704644 [0,1,0,0,1,0|2,0,0]=4 731 B11R1.298 [13CH3]NC(C(=O)O)c1ccsc1 269956a_100000702404_200025704644 [0,1,0,0,1,0|2,0,0]=4 732 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_200000210301 [0,1,0,0,0,1|2,0,0]=4 733 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_200000210301 [0,1,0,0,0,1|2,0,0]=4 734 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100009814033 [0,1,0,0,0,1|2,0,0]=4 735 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100009814033 [0,1,0,0,0,1|2,0,0]=4 736 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 1458a_100000181392_200000210301 [0,1,0,0,0,1|2,0,0]=4 737 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100000179758 [0,1,0,0,0,1|2,0,0]=4 738 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 1458a_100000183867_200000210301 [0,1,0,0,0,1|2,0,0]=4 739 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100000179758 [0,1,0,0,0,1|2,0,0]=4 740 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 1458a_100000184027_200000210301 [0,1,0,0,0,1|2,0,0]=4 741 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000179758 [0,1,0,0,0,1|2,0,0]=4 742 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)F 1458a_100000203723_200000210301 [0,1,0,0,0,1|2,0,0]=4 743 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000179758 [0,1,0,0,0,1|2,0,0]=4 744 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100009814033 [0,1,0,0,0,1|2,0,0]=4 745 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100009814033_100000752885 [0,1,0,0,0,1|2,0,0]=4 746 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 1458a_100000181072_200000210301 [0,1,0,0,0,1|2,0,0]=4 747 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100009814033 [0,1,0,0,0,1|2,0,0]=4 748 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100009814033_100000186775 [0,1,0,0,0,1|2,0,0]=4 749 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 1458a_100000178403_200000210301 [0,1,0,0,0,1|2,0,0]=4 750 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100009814033 [0,1,0,0,0,1|2,0,0]=4 751 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100009814033_100000755918 [0,1,0,0,0,1|2,0,0]=4 752 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 1458a_100000181075_200000210301 [0,1,0,0,0,1|2,0,0]=4 753 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100009814033 [0,1,0,0,0,1|2,0,0]=4 754 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100009814033_100000211213 [0,1,0,0,0,1|2,0,0]=4 755 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100009814033 [0,1,0,0,0,1|2,0,0]=4 756 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100009814033_100000185761 [0,1,0,0,0,1|2,0,0]=4 757 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)O 62a_100009814033_100000185759 [0,1,0,0,0,1|2,0,0]=4 758 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200000210301 [0,1,0,0,0,1|1,0,0]=3 759 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200000210301 [0,1,0,0,0,1|1,0,0]=3 760 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [0,1,0,0,0,1|1,0,0]=3 761 B13R1.133 CC(=O)[C@@H](C)Oc1ccc(cc1)O 1458a_100000005562_200000210301 [0,1,0,0,0,1|2,0,0]=4 762 B13R1.133 CC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200000210301 [0,1,0,0,0,1|1,0,0]=3 763 B13R1.133 CC(Cc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000695199_200025704644 [0,1,0,0,0,1|2,0,0]=4 764 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000746122_200025704644 [0,1,0,0,0,1|2,0,0]=4 765 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 2230a_100000210018_100000702099 [0,1,0,0,0,1|2,0,0]=4 766 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 34a_100000210018_100000702099 [0,1,0,0,0,1|2,0,0]=4 767 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 2230a_100000210052_100000702099 [0,1,0,0,0,1|2,0,0]=4 768 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 34a_100000210052_100000702099 [0,1,0,0,0,1|2,0,0]=4 769 B13R1.133 CC(Nc1ccc(cc1)F)C(=O)N 34a_100000185862_100000702099 [0,1,0,0,0,1|2,0,0]=4 770 B13R1.133 CC(Nc1ccc(cc1)I)C(=O)N 34a_100000185761_100000702099 [0,1,0,0,0,1|2,0,0]=4 771 B13R1.133 CC(Nc1ccc(cc1)O)C(=O)N 34a_100000185829_100000702099 [0,1,0,0,0,1|2,0,0]=4 772 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 34a_100000185759_100000702099 [0,1,0,0,0,1|2,0,0]=4 773 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 7a_100000185759_100000702099 [0,1,0,0,0,1|2,0,0]=4 774 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000181392_200025704644 [0,1,0,0,0,1|2,0,0]=4 775 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 34a_100000210216_100000702099 [0,1,0,0,0,1|2,0,0]=4 776 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 7a_100000210216_100000702099 [0,1,0,0,0,1|2,0,0]=4 777 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000184027_200025704644 [0,1,0,0,0,1|2,0,0]=4 778 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)N 34a_100000210339_100000702099 [0,1,0,0,0,1|2,0,0]=4 779 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000203723_200025704644 [0,1,0,0,0,1|2,0,0]=4 780 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 34a_100000212066_100000702099 [0,1,0,0,0,1|2,0,0]=4 781 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 7a_100000212066_100000702099 [0,1,0,0,0,1|2,0,0]=4 782 B13R1.133 CC(Oc1ccc(cc1)N)C(=O)N 34a_100000185829_100000702099 [0,1,0,0,0,1|2,0,0]=4 783 B13R1.133 CC(Oc1ccc(cc1)O)C(=O)N 271570a_203496583355_100000150412 [0,1,0,0,0,1|2,0,0]=4 784 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000702099_100000752885 [0,1,0,0,0,1|2,0,0]=4 785 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000752885_100000702099 [0,1,0,0,0,1|2,0,0]=4 786 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000702099_100000755918 [0,1,0,0,0,1|2,0,0]=4 787 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000755918_100000702099 [0,1,0,0,0,1|2,0,0]=4 788 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000178403_200025704644 [0,1,0,0,0,1|2,0,0]=4 789 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000211213_100000702099 [0,1,0,0,0,1|2,0,0]=4 790 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000702099_100000211213 [0,1,0,0,0,1|2,0,0]=4 791 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000181075_200025704644 [0,1,0,0,0,1|2,0,0]=4 792 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000185761_100000702099 [0,1,0,0,0,1|2,0,0]=4 793 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000702099_100000185761 [0,1,0,0,0,1|2,0,0]=4 794 B13R1.133 CC(Sc1ccc(cc1)O)C(=O)N 62a_100000702099_100000185759 [0,1,0,0,0,1|2,0,0]=4 795 B13R1.133 C[C@@H](Oc1ccc(cc1)O)C(=O)[13CH3] 1458a_100000005562_200025704644 [0,1,0,0,0,1|2,0,0]=4 796 B13R1.133 Cc1ccc(cc1)NC(C)C(=O)N 34a_100000124888_100000702099 [0,1,0,0,0,1|2,0,0]=4 797 B13R1.133 Cc1ccc(cc1)NC(F)C(=O)N 34a_100000124888_100009813875 [0,1,0,0,0,1|2,0,0]=4 798 B13R1.133 Cc1ccc(cc1)NC(F)C(=O)[O-] 34a_100000124888_100020610796 [0,1,0,0,0,1|1,0,1]=4 799 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 34a_100000210336_100000702099 [0,1,0,0,0,1|2,0,0]=4 800 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 7a_100000210336_100000702099 [0,1,0,0,0,1|2,0,0]=4 801 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)[13CH3] 1458a_100000183867_200025704644 [0,1,0,0,0,1|2,0,0]=4 802 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 34a_100000210336_100009813875 [0,1,0,0,0,1|2,0,0]=4 803 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 7a_100000210336_100009813875 [0,1,0,0,0,1|2,0,0]=4 804 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000210336_100020610796 [0,1,0,0,0,1|1,0,1]=4 805 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000186775_100000702099 [0,1,0,0,0,1|2,0,0]=4 806 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000702099_100000186775 [0,1,0,0,0,1|2,0,0]=4 807 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)[13CH3] 1458a_100000181072_200025704644 [0,1,0,0,0,1|2,0,0]=4 808 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)N 62a_100000186775_100009813875 [0,1,0,0,0,1|2,0,0]=4 809 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)N 62a_100009813875_100000186775 [0,1,0,0,0,1|2,0,0]=4 810 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)[O-] 62a_100000186775_100020610796 [0,1,0,0,0,1|1,0,1]=4 811 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000186775 [0,1,0,0,0,1|1,0,1]=4 812 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Br 2230a_100000210018_100009813875 [0,1,0,0,0,1|2,0,0]=4 813 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Br 34a_100000210018_100009813875 [0,1,0,0,0,1|2,0,0]=4 814 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Cl 2230a_100000210052_100009813875 [0,1,0,0,0,1|2,0,0]=4 815 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Cl 34a_100000210052_100009813875 [0,1,0,0,0,1|2,0,0]=4 816 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)F 34a_100000185862_100009813875 [0,1,0,0,0,1|2,0,0]=4 817 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)I 34a_100000185761_100009813875 [0,1,0,0,0,1|2,0,0]=4 818 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)O 34a_100000185829_100009813875 [0,1,0,0,0,1|2,0,0]=4 819 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 34a_100000185759_100009813875 [0,1,0,0,0,1|2,0,0]=4 820 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 7a_100000185759_100009813875 [0,1,0,0,0,1|2,0,0]=4 821 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 34a_100000210216_100009813875 [0,1,0,0,0,1|2,0,0]=4 822 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 7a_100000210216_100009813875 [0,1,0,0,0,1|2,0,0]=4 823 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)F 34a_100000210339_100009813875 [0,1,0,0,0,1|2,0,0]=4 824 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 34a_100000212066_100009813875 [0,1,0,0,0,1|2,0,0]=4 825 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 7a_100000212066_100009813875 [0,1,0,0,0,1|2,0,0]=4 826 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)N 34a_100000185829_100009813875 [0,1,0,0,0,1|2,0,0]=4 827 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Br 62a_100000752885_100009813875 [0,1,0,0,0,1|2,0,0]=4 828 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Br 62a_100009813875_100000752885 [0,1,0,0,0,1|2,0,0]=4 829 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Cl 62a_100000755918_100009813875 [0,1,0,0,0,1|2,0,0]=4 830 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Cl 62a_100009813875_100000755918 [0,1,0,0,0,1|2,0,0]=4 831 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)F 62a_100000211213_100009813875 [0,1,0,0,0,1|2,0,0]=4 832 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)F 62a_100009813875_100000211213 [0,1,0,0,0,1|2,0,0]=4 833 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)N 62a_100000185761_100009813875 [0,1,0,0,0,1|2,0,0]=4 834 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)N 62a_100009813875_100000185761 [0,1,0,0,0,1|2,0,0]=4 835 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)O 62a_100009813875_100000185759 [0,1,0,0,0,1|2,0,0]=4 836 B13R1.133 Nc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000185829_100020610796 [0,1,0,0,0,1|1,0,1]=4 837 B13R1.133 Nc1ccc(cc1)SC(F)C(=O)[O-] 62a_100000185761_100020610796 [0,1,0,0,0,1|1,0,1]=4 838 B13R1.133 Nc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000185761 [0,1,0,0,0,1|1,0,1]=4 839 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)Br 34a_100000210018_100020610796 [0,1,0,0,0,1|1,0,1]=4 840 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)Cl 34a_100000210052_100020610796 [0,1,0,0,0,1|1,0,1]=4 841 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)F 34a_100000185862_100020610796 [0,1,0,0,0,1|1,0,1]=4 842 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)I 34a_100000185761_100020610796 [0,1,0,0,0,1|1,0,1]=4 843 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)O 34a_100000185829_100020610796 [0,1,0,0,0,1|1,0,1]=4 844 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Br 34a_100000185759_100020610796 [0,1,0,0,0,1|1,0,1]=4 845 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Cl 34a_100000210216_100020610796 [0,1,0,0,0,1|1,0,1]=4 846 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)F 34a_100000210339_100020610796 [0,1,0,0,0,1|1,0,1]=4 847 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)I 34a_100000212066_100020610796 [0,1,0,0,0,1|1,0,1]=4 848 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Br 62a_100000752885_100020610796 [0,1,0,0,0,1|1,0,1]=4 849 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Br 62a_100020610796_100000752885 [0,1,0,0,0,1|1,0,1]=4 850 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Cl 62a_100000755918_100020610796 [0,1,0,0,0,1|1,0,1]=4 851 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Cl 62a_100020610796_100000755918 [0,1,0,0,0,1|1,0,1]=4 852 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)F 62a_100000211213_100020610796 [0,1,0,0,0,1|1,0,1]=4 853 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)F 62a_100020610796_100000211213 [0,1,0,0,0,1|1,0,1]=4 854 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)O 62a_100020610796_100000185759 [0,1,0,0,0,1|1,0,1]=4 855 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200025704644 [0,1,0,0,0,1|1,0,0]=3 856 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200025704644 [0,1,0,0,0,1|1,0,0]=3 857 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [0,1,0,0,0,1|1,0,0]=3 858 B13R1.133 [13CH3]C(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200025704644 [0,1,0,0,0,1|1,0,0]=3 859 B13R1.135 C#CC(=O)C(C)Cc1ccccc1 1458a_100000211873_200011218536 [0,1,0,0,0,1|2,0,0]=4 860 B13R1.135 C=CC(=O)C(C)Cc1ccccc1 1458a_100000185746_200011218536 [0,1,0,0,0,1|2,0,0]=4 861 B13R1.135 CC(Cc1ccccc1)C(=O)CF 1458a_100000754839_100015361967 [0,1,0,0,0,1|2,0,0]=4 862 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [0,1,0,0,0,1|1,0,0]=3 863 B13R1.135 CC(Oc1ccccc1)C(=O)CF 1458a_100000188414_100015361967 [0,1,0,0,0,1|2,0,0]=4 864 B13R1.135 CC(Sc1ccccc1)C(=O)CF 1458a_100000199063_100015361967 [0,1,0,0,0,1|2,0,0]=4 865 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [0,1,0,0,0,1|2,0,0]=4 866 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [0,1,0,0,0,1|2,0,0]=4 867 B13R1.135 CCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210202 [0,1,0,0,0,1|2,0,0]=4 868 B13R1.135 CCC(=O)C(C)Oc1ccccc1 7a_100000210340_100000742827 [0,1,0,0,0,1|2,0,0]=4 869 B13R1.135 CCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210202 [0,1,0,0,0,1|2,0,0]=4 870 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000719477_100000742827 [0,1,0,0,0,1|2,0,0]=4 871 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000742827_100000041952 [0,1,0,0,0,1|2,0,0]=4 872 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [0,1,0,0,0,1|1,0,0]=3 873 B13R1.135 CN(Cc1ccccc1)C(=O)CO 240690a_100000186898_100000210174 [0,1,0,0,0,1|2,0,0]=4 874 B13R1.135 CN(Cc1ccccc1)C(=O)CO 527a_100000186898_100000210174 [0,1,0,0,0,1|2,0,0]=4 875 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [0,1,0,0,0,1|2,0,0]=4 876 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [0,1,0,0,0,1|2,0,0]=4 877 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [0,1,0,0,0,1|2,0,0]=4 878 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [0,1,0,0,0,1|2,0,0]=4 879 B13R1.135 CNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000731044 [0,1,0,0,0,1|2,0,0]=4 880 B13R1.135 CNC(=O)C(C)Oc1ccccc1 11a_106832991635_100000188414 [0,1,0,0,0,1|2,0,0]=4 881 B13R1.135 CNC(=O)C(C)Oc1ccccc1 1626a_100102657272_100000188414 [0,1,0,0,0,1|2,0,0]=4 882 B13R1.135 CNC(=O)C(C)Oc1ccccc1 240690a_100102657272_100000188414 [0,1,0,0,0,1|2,0,0]=4 883 B13R1.135 CNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000731044 [0,1,0,0,0,1|2,0,0]=4 884 B13R1.135 CNC(=O)C(C)Oc1ccccc1 527a_100102657272_100000188414 [0,1,0,0,0,1|2,0,0]=4 885 B13R1.135 CNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000209862 [0,1,0,0,0,1|2,0,0]=4 886 B13R1.135 CNC(=O)C(C)Sc1ccccc1 11a_106832991635_100000199063 [0,1,0,0,0,1|2,0,0]=4 887 B13R1.135 CNC(=O)C(C)Sc1ccccc1 1626a_100102657272_100000199063 [0,1,0,0,0,1|2,0,0]=4 888 B13R1.135 CNC(=O)C(C)Sc1ccccc1 240690a_100102657272_100000199063 [0,1,0,0,0,1|2,0,0]=4 889 B13R1.135 CNC(=O)C(C)Sc1ccccc1 527a_100102657272_100000199063 [0,1,0,0,0,1|2,0,0]=4 890 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000209862_100000041952 [0,1,0,0,0,1|2,0,0]=4 891 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000731044 [0,1,0,0,0,1|2,0,0]=4 892 B13R1.135 CNC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813575 [0,1,0,0,0,1|2,0,0]=4 893 B13R1.135 CNC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813575 [0,1,0,0,0,1|2,0,0]=4 894 B13R1.135 CNC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813575 [0,1,0,0,0,1|2,0,0]=4 895 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813575 [0,1,0,0,0,1|2,0,0]=4 896 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100009813575_100000041952 [0,1,0,0,0,1|2,0,0]=4 897 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [0,1,0,0,0,1|1,0,0]=3 898 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,1,0,0,0,1|0,0,2]=4 899 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,1,0,0,0,1|0,0,2]=4 900 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,1,0,0,0,1|0,0,2]=4 901 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [0,1,0,0,0,1|1,0,0]=3 902 B13R1.135 COC(=O)C(C)Oc1ccccc1 34a_100000210340_100000211248 [0,1,0,0,0,1|1,0,0]=3 903 B13R1.135 COC(=O)C(C)Oc1ccccc1 7a_100000210340_100000211248 [0,1,0,0,0,1|1,0,0]=3 904 B13R1.135 COC(=O)C(C)Oc1cccnc1 34a_100000210849_100000211248 [0,1,0,0,0,1|2,0,0]=4 905 B13R1.135 COC(=O)C(C)Oc1cccnc1 7a_100000210849_100000211248 [0,1,0,0,0,1|2,0,0]=4 906 B13R1.135 COC(=O)C(C)Oc1ccncc1 34a_100000212176_100000211248 [0,1,0,0,0,1|2,0,0]=4 907 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000211248_100000041952 [0,1,0,0,0,1|1,0,0]=3 908 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000719477_100000211248 [0,1,0,0,0,1|1,0,0]=3 909 B13R1.135 COC(=O)C(C)Sc1ccccn1 62a_100000211248_100011216584 [0,1,0,0,0,1|2,0,0]=4 910 B13R1.135 COC(=O)C(C)Sc1ccccn1 62a_100011216584_100000211248 [0,1,0,0,0,1|2,0,0]=4 911 B13R1.135 COC(=O)C(C)Sc1cccnc1 62a_100000210063_100000211248 [0,1,0,0,0,1|2,0,0]=4 912 B13R1.135 COC(=O)C(C)Sc1cccnc1 62a_100000211248_100000210063 [0,1,0,0,0,1|2,0,0]=4 913 B13R1.135 COC(=O)C(C)Sc1ccncc1 62a_100000211248_100000728582 [0,1,0,0,0,1|2,0,0]=4 914 B13R1.135 COC(=O)C(C)Sc1ccncc1 62a_100000728582_100000211248 [0,1,0,0,0,1|2,0,0]=4 915 B13R1.135 O=C(CF)[C@H](O)Cc1ccccc1 1458a_100009816399_100015361967 [0,1,0,0,0,1|1,0,0]=3 916 B13R1.148 CC(=O)C(C)Nc1cccc(c1)C 2230a_100000188690_100009814033 [0,1,0,0,0,1|2,0,0]=4 917 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 1458a_100000246016_200000210301 [0,1,0,0,0,1|2,0,0]=4 918 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 7a_100000210342_100000179758 [0,1,0,0,0,1|2,0,0]=4 919 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 1458a_100000183885_200000210301 [0,1,0,0,0,1|2,0,0]=4 920 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 7a_100000210337_100000179758 [0,1,0,0,0,1|2,0,0]=4 921 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 1458a_100000185161_200000210301 [0,1,0,0,0,1|2,0,0]=4 922 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 7a_100000210295_100000179758 [0,1,0,0,0,1|2,0,0]=4 923 B13R1.148 CC(=O)C(C)Oc1cccc(c1)F 7a_100000210426_100000179758 [0,1,0,0,0,1|2,0,0]=4 924 B13R1.148 CC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100000179758 [0,1,0,0,0,1|2,0,0]=4 925 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Br 62a_100000691529_100009814033 [0,1,0,0,0,1|2,0,0]=4 926 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Br 62a_100009814033_100000691529 [0,1,0,0,0,1|2,0,0]=4 927 B13R1.148 CC(=O)C(C)Sc1cccc(c1)C 62a_100009814033_100011215228 [0,1,0,0,0,1|2,0,0]=4 928 B13R1.148 CC(=O)C(C)Sc1cccc(c1)C 62a_100011215228_100009814033 [0,1,0,0,0,1|2,0,0]=4 929 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Cl 62a_100000699651_100009814033 [0,1,0,0,0,1|2,0,0]=4 930 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Cl 62a_100009814033_100000699651 [0,1,0,0,0,1|2,0,0]=4 931 B13R1.148 CC(=O)C(C)Sc1cccc(c1)F 62a_100000685547_100009814033 [0,1,0,0,0,1|2,0,0]=4 932 B13R1.148 CC(=O)C(C)Sc1cccc(c1)F 62a_100009814033_100000685547 [0,1,0,0,0,1|2,0,0]=4 933 B13R1.148 CC(=O)C(C)Sc1cccc(c1)N 62a_100000210019_100009814033 [0,1,0,0,0,1|2,0,0]=4 934 B13R1.148 CC(=O)C(C)Sc1cccc(c1)N 62a_100009814033_100000210019 [0,1,0,0,0,1|2,0,0]=4 935 B13R1.148 CC(=O)C(C)Sc1cccc(c1)O 62a_100009814033_100000211634 [0,1,0,0,0,1|2,0,0]=4 936 B13R1.148 CC(=O)C(C)Sc1cccc(c1)[S] 62a_100009814033_114929384022 [0,1,0,0,0,1|2,0,0]=4 937 B13R1.148 CC(=O)C(C)Sc1cccc(c1)[S] 62a_114929384022_100009814033 [0,1,0,0,0,1|2,0,0]=4 938 B13R1.148 CC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200000210301 [0,1,0,0,0,1|1,0,0]=3 939 B13R1.148 CC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200000210301 [0,1,0,0,0,1|1,0,0]=3 940 B13R1.148 CC(Nc1cccc(c1)Br)C(=O)N 34a_100000210019_100000702099 [0,1,0,0,0,1|2,0,0]=4 941 B13R1.148 CC(Nc1cccc(c1)Cl)C(=O)N 34a_100000185859_100000702099 [0,1,0,0,0,1|2,0,0]=4 942 B13R1.148 CC(Nc1cccc(c1)F)C(=O)N 34a_100000210047_100000702099 [0,1,0,0,0,1|2,0,0]=4 943 B13R1.148 CC(Nc1cccc(c1)I)C(=O)N 34a_100000211102_100000702099 [0,1,0,0,0,1|2,0,0]=4 944 B13R1.148 CC(Nc1cccc(c1)O)C(=O)N 34a_100000210217_100000702099 [0,1,0,0,0,1|2,0,0]=4 945 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)N 34a_100000210342_100000702099 [0,1,0,0,0,1|2,0,0]=4 946 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)N 7a_100000210342_100000702099 [0,1,0,0,0,1|2,0,0]=4 947 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)[13CH3] 1458a_100000246016_200025704644 [0,1,0,0,0,1|2,0,0]=4 948 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)N 34a_100000210295_100000702099 [0,1,0,0,0,1|2,0,0]=4 949 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)N 7a_100000210295_100000702099 [0,1,0,0,0,1|2,0,0]=4 950 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)[13CH3] 1458a_100000185161_200025704644 [0,1,0,0,0,1|2,0,0]=4 951 B13R1.148 CC(Oc1cccc(c1)F)C(=O)N 34a_100000210426_100000702099 [0,1,0,0,0,1|2,0,0]=4 952 B13R1.148 CC(Oc1cccc(c1)F)C(=O)N 7a_100000210426_100000702099 [0,1,0,0,0,1|2,0,0]=4 953 B13R1.148 CC(Oc1cccc(c1)I)C(=O)N 34a_100000211634_100000702099 [0,1,0,0,0,1|2,0,0]=4 954 B13R1.148 CC(Oc1cccc(c1)I)C(=O)N 7a_100000211634_100000702099 [0,1,0,0,0,1|2,0,0]=4 955 B13R1.148 CC(Oc1cccc(c1)N)C(=O)N 34a_100000210217_100000702099 [0,1,0,0,0,1|2,0,0]=4 956 B13R1.148 CC(Oc1cccc(c1)O)C(=O)N 271570a_203496583355_200000150601 [0,1,0,0,0,1|2,0,0]=4 957 B13R1.148 CC(Sc1cccc(c1)Br)C(=O)N 62a_100000691529_100000702099 [0,1,0,0,0,1|2,0,0]=4 958 B13R1.148 CC(Sc1cccc(c1)Br)C(=O)N 62a_100000702099_100000691529 [0,1,0,0,0,1|2,0,0]=4 959 B13R1.148 CC(Sc1cccc(c1)Cl)C(=O)N 62a_100000699651_100000702099 [0,1,0,0,0,1|2,0,0]=4 960 B13R1.148 CC(Sc1cccc(c1)Cl)C(=O)N 62a_100000702099_100000699651 [0,1,0,0,0,1|2,0,0]=4 961 B13R1.148 CC(Sc1cccc(c1)F)C(=O)N 62a_100000685547_100000702099 [0,1,0,0,0,1|2,0,0]=4 962 B13R1.148 CC(Sc1cccc(c1)F)C(=O)N 62a_100000702099_100000685547 [0,1,0,0,0,1|2,0,0]=4 963 B13R1.148 CC(Sc1cccc(c1)N)C(=O)N 62a_100000210019_100000702099 [0,1,0,0,0,1|2,0,0]=4 964 B13R1.148 CC(Sc1cccc(c1)N)C(=O)N 62a_100000702099_100000210019 [0,1,0,0,0,1|2,0,0]=4 965 B13R1.148 CC(Sc1cccc(c1)O)C(=O)N 62a_100000702099_100000211634 [0,1,0,0,0,1|2,0,0]=4 966 B13R1.148 CC(Sc1cccc(c1)[S])C(=O)N 62a_100000702099_114929384022 [0,1,0,0,0,1|2,0,0]=4 967 B13R1.148 CC(Sc1cccc(c1)[S])C(=O)N 62a_114929384022_100000702099 [0,1,0,0,0,1|2,0,0]=4 968 B13R1.148 Cc1cccc(c1)NC(C)C(=O)N 2230a_100000188690_100000702099 [0,1,0,0,0,1|2,0,0]=4 969 B13R1.148 Cc1cccc(c1)NC(C)C(=O)N 34a_100000188690_100000702099 [0,1,0,0,0,1|2,0,0]=4 970 B13R1.148 Cc1cccc(c1)NC(F)C(=O)N 2230a_100000188690_100009813875 [0,1,0,0,0,1|2,0,0]=4 971 B13R1.148 Cc1cccc(c1)NC(F)C(=O)N 34a_100000188690_100009813875 [0,1,0,0,0,1|2,0,0]=4 972 B13R1.148 Cc1cccc(c1)NC(F)C(=O)[O-] 34a_100000188690_100020610796 [0,1,0,0,0,1|1,0,1]=4 973 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 34a_100000210337_100000702099 [0,1,0,0,0,1|2,0,0]=4 974 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 7a_100000210337_100000702099 [0,1,0,0,0,1|2,0,0]=4 975 B13R1.148 Cc1cccc(c1)OC(C)C(=O)[13CH3] 1458a_100000183885_200025704644 [0,1,0,0,0,1|2,0,0]=4 976 B13R1.148 Cc1cccc(c1)OC(F)C(=O)N 34a_100000210337_100009813875 [0,1,0,0,0,1|2,0,0]=4 977 B13R1.148 Cc1cccc(c1)OC(F)C(=O)N 7a_100000210337_100009813875 [0,1,0,0,0,1|2,0,0]=4 978 B13R1.148 Cc1cccc(c1)OC(F)C(=O)[O-] 34a_100000210337_100020610796 [0,1,0,0,0,1|1,0,1]=4 979 B13R1.148 Cc1cccc(c1)SC(C)C(=O)N 62a_100000702099_100011215228 [0,1,0,0,0,1|2,0,0]=4 980 B13R1.148 Cc1cccc(c1)SC(C)C(=O)N 62a_100011215228_100000702099 [0,1,0,0,0,1|2,0,0]=4 981 B13R1.148 Cc1cccc(c1)SC(F)C(=O)N 62a_100009813875_100011215228 [0,1,0,0,0,1|2,0,0]=4 982 B13R1.148 Cc1cccc(c1)SC(F)C(=O)N 62a_100011215228_100009813875 [0,1,0,0,0,1|2,0,0]=4 983 B13R1.148 Cc1cccc(c1)SC(F)C(=O)[O-] 62a_100011215228_100020610796 [0,1,0,0,0,1|1,0,1]=4 984 B13R1.148 Cc1cccc(c1)SC(F)C(=O)[O-] 62a_100020610796_100011215228 [0,1,0,0,0,1|1,0,1]=4 985 B13R1.148 NC(=O)C(F)Nc1cccc(c1)Br 34a_100000210019_100009813875 [0,1,0,0,0,1|2,0,0]=4 986 B13R1.148 NC(=O)C(F)Nc1cccc(c1)Cl 34a_100000185859_100009813875 [0,1,0,0,0,1|2,0,0]=4 987 B13R1.148 NC(=O)C(F)Nc1cccc(c1)F 34a_100000210047_100009813875 [0,1,0,0,0,1|2,0,0]=4 988 B13R1.148 NC(=O)C(F)Nc1cccc(c1)I 34a_100000211102_100009813875 [0,1,0,0,0,1|2,0,0]=4 989 B13R1.148 NC(=O)C(F)Nc1cccc(c1)O 34a_100000210217_100009813875 [0,1,0,0,0,1|2,0,0]=4 990 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Br 34a_100000210342_100009813875 [0,1,0,0,0,1|2,0,0]=4 991 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Br 7a_100000210342_100009813875 [0,1,0,0,0,1|2,0,0]=4 992 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Cl 34a_100000210295_100009813875 [0,1,0,0,0,1|2,0,0]=4 993 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Cl 7a_100000210295_100009813875 [0,1,0,0,0,1|2,0,0]=4 994 B13R1.148 NC(=O)C(F)Oc1cccc(c1)F 34a_100000210426_100009813875 [0,1,0,0,0,1|2,0,0]=4 995 B13R1.148 NC(=O)C(F)Oc1cccc(c1)F 7a_100000210426_100009813875 [0,1,0,0,0,1|2,0,0]=4 996 B13R1.148 NC(=O)C(F)Oc1cccc(c1)I 34a_100000211634_100009813875 [0,1,0,0,0,1|2,0,0]=4 997 B13R1.148 NC(=O)C(F)Oc1cccc(c1)I 7a_100000211634_100009813875 [0,1,0,0,0,1|2,0,0]=4 998 B13R1.148 NC(=O)C(F)Oc1cccc(c1)N 34a_100000210217_100009813875 [0,1,0,0,0,1|2,0,0]=4 999 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Br 62a_100000691529_100009813875 [0,1,0,0,0,1|2,0,0]=4 1000 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Br 62a_100009813875_100000691529 [0,1,0,0,0,1|2,0,0]=4 1001 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Cl 62a_100000699651_100009813875 [0,1,0,0,0,1|2,0,0]=4 1002 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Cl 62a_100009813875_100000699651 [0,1,0,0,0,1|2,0,0]=4 1003 B13R1.148 NC(=O)C(F)Sc1cccc(c1)F 62a_100000685547_100009813875 [0,1,0,0,0,1|2,0,0]=4 1004 B13R1.148 NC(=O)C(F)Sc1cccc(c1)F 62a_100009813875_100000685547 [0,1,0,0,0,1|2,0,0]=4 1005 B13R1.148 NC(=O)C(F)Sc1cccc(c1)N 62a_100000210019_100009813875 [0,1,0,0,0,1|2,0,0]=4 1006 B13R1.148 NC(=O)C(F)Sc1cccc(c1)N 62a_100009813875_100000210019 [0,1,0,0,0,1|2,0,0]=4 1007 B13R1.148 NC(=O)C(F)Sc1cccc(c1)O 62a_100009813875_100000211634 [0,1,0,0,0,1|2,0,0]=4 1008 B13R1.148 NC(=O)C(F)Sc1cccc(c1)[S] 62a_100009813875_114929384022 [0,1,0,0,0,1|2,0,0]=4 1009 B13R1.148 NC(=O)C(F)Sc1cccc(c1)[S] 62a_114929384022_100009813875 [0,1,0,0,0,1|2,0,0]=4 1010 B13R1.148 Nc1cccc(c1)OC(F)C(=O)[O-] 34a_100000210217_100020610796 [0,1,0,0,0,1|1,0,1]=4 1011 B13R1.148 Nc1cccc(c1)SC(F)C(=O)[O-] 62a_100000210019_100020610796 [0,1,0,0,0,1|1,0,1]=4 1012 B13R1.148 Nc1cccc(c1)SC(F)C(=O)[O-] 62a_100020610796_100000210019 [0,1,0,0,0,1|1,0,1]=4 1013 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)Br 34a_100000210019_100020610796 [0,1,0,0,0,1|1,0,1]=4 1014 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)Cl 34a_100000185859_100020610796 [0,1,0,0,0,1|1,0,1]=4 1015 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)F 34a_100000210047_100020610796 [0,1,0,0,0,1|1,0,1]=4 1016 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)I 34a_100000211102_100020610796 [0,1,0,0,0,1|1,0,1]=4 1017 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)O 34a_100000210217_100020610796 [0,1,0,0,0,1|1,0,1]=4 1018 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)Br 34a_100000210342_100020610796 [0,1,0,0,0,1|1,0,1]=4 1019 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)Cl 34a_100000210295_100020610796 [0,1,0,0,0,1|1,0,1]=4 1020 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)F 34a_100000210426_100020610796 [0,1,0,0,0,1|1,0,1]=4 1021 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)I 34a_100000211634_100020610796 [0,1,0,0,0,1|1,0,1]=4 1022 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Br 62a_100000691529_100020610796 [0,1,0,0,0,1|1,0,1]=4 1023 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Br 62a_100020610796_100000691529 [0,1,0,0,0,1|1,0,1]=4 1024 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Cl 62a_100000699651_100020610796 [0,1,0,0,0,1|1,0,1]=4 1025 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Cl 62a_100020610796_100000699651 [0,1,0,0,0,1|1,0,1]=4 1026 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)F 62a_100000685547_100020610796 [0,1,0,0,0,1|1,0,1]=4 1027 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)F 62a_100020610796_100000685547 [0,1,0,0,0,1|1,0,1]=4 1028 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)O 62a_100020610796_100000211634 [0,1,0,0,0,1|1,0,1]=4 1029 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)[S] 62a_100020610796_114929384022 [0,1,0,0,0,1|1,0,1]=4 1030 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)[S] 62a_114929384022_100020610796 [0,1,0,0,0,1|1,0,1]=4 1031 B13R1.148 [13CH3]C(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200025704644 [0,1,0,0,0,1|1,0,0]=3 1032 B13R1.148 [13CH3]C(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200025704644 [0,1,0,0,0,1|1,0,0]=3 1033 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000070787_100000239700 [0,1,0,0,0,1|2,0,0]=4 1034 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000179758 [0,1,0,0,0,1|2,0,0]=4 1035 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100009814033 [0,1,0,0,0,1|2,0,0]=4 1036 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100009814033 [0,1,0,0,0,1|2,0,0]=4 1037 B13R1.152 CC(C(=O)N)C(=O)c1ccccc1 1458a_100000185807_100000702099 [0,1,0,0,0,1|2,0,0]=4 1038 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 2230a_100000210012_100000702099 [0,1,0,0,0,1|2,0,0]=4 1039 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 269982a_100000210012_100000184083 [0,1,0,0,0,1|2,0,0]=4 1040 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 34a_100000210012_100000702099 [0,1,0,0,0,1|2,0,0]=4 1041 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 269956a_100000189636_200000210301 [0,1,0,0,0,1|1,0,0]=3 1042 B13R1.152 CC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000189636_200025704644 [0,1,0,0,0,1|1,0,0]=3 1043 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 2230a_100000210012_100009813875 [0,1,0,0,0,1|2,0,0]=4 1044 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 269982a_100000210012_100009813875 [0,1,0,0,0,1|2,0,0]=4 1045 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 34a_100000210012_100009813875 [0,1,0,0,0,1|2,0,0]=4 1046 B13R1.152 CN(c1ccccc1)C(F)C(=O)[O-] 34a_100000210012_100020610796 [0,1,0,0,0,1|1,0,1]=4 1047 B13R1.152 NC(=O)C(F)C(=O)c1ccccc1 1458a_100000185807_100009813875 [0,1,0,0,0,1|2,0,0]=4 1048 B13R1.152 O=C([O-])C(F)C(=O)c1ccccc1 1458a_100000185807_100020610796 [0,1,0,0,0,1|1,0,1]=4 1049 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 1458a_100000246065_200000210301 [0,1,0,0,0,1|2,0,0]=4 1050 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 7a_100000181306_100000179758 [0,1,0,0,0,1|2,0,0]=4 1051 B13R1.202 CC(=O)C(C)Oc1ccccc1C 1458a_100000189243_200000210301 [0,1,0,0,0,1|2,0,0]=4 1052 B13R1.202 CC(=O)C(C)Oc1ccccc1C 7a_100000210338_100000179758 [0,1,0,0,0,1|2,0,0]=4 1053 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 1458a_100000191201_200000210301 [0,1,0,0,0,1|2,0,0]=4 1054 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100000179758 [0,1,0,0,0,1|2,0,0]=4 1055 B13R1.202 CC(=O)C(C)Oc1ccccc1F 1458a_100000191191_200000210301 [0,1,0,0,0,1|2,0,0]=4 1056 B13R1.202 CC(=O)C(C)Oc1ccccc1F 7a_100000210171_100000179758 [0,1,0,0,0,1|2,0,0]=4 1057 B13R1.202 CC(=O)C(C)Oc1ccccc1I 7a_100000739446_100000179758 [0,1,0,0,0,1|2,0,0]=4 1058 B13R1.202 CC(=O)C(C)Oc1ccccc1N 7a_100000185747_100000179758 [0,1,0,0,0,1|2,0,0]=4 1059 B13R1.202 CC(=O)C(C)Sc1ccccc1Br 62a_100000695589_100009814033 [0,1,0,0,0,1|2,0,0]=4 1060 B13R1.202 CC(=O)C(C)Sc1ccccc1Br 62a_100009814033_100000695589 [0,1,0,0,0,1|2,0,0]=4 1061 B13R1.202 CC(=O)C(C)Sc1ccccc1C 62a_100000210755_100009814033 [0,1,0,0,0,1|2,0,0]=4 1062 B13R1.202 CC(=O)C(C)Sc1ccccc1C 62a_100009814033_100000210755 [0,1,0,0,0,1|2,0,0]=4 1063 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 1458a_100000181065_200000210301 [0,1,0,0,0,1|2,0,0]=4 1064 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 62a_100000764095_100009814033 [0,1,0,0,0,1|2,0,0]=4 1065 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 62a_100009814033_100000764095 [0,1,0,0,0,1|2,0,0]=4 1066 B13R1.202 CC(=O)C(C)Sc1ccccc1F 62a_100009814033_100011215700 [0,1,0,0,0,1|2,0,0]=4 1067 B13R1.202 CC(=O)C(C)Sc1ccccc1F 62a_100011215700_100009814033 [0,1,0,0,0,1|2,0,0]=4 1068 B13R1.202 CC(=O)C(C)Sc1ccccc1N 62a_100000210017_100009814033 [0,1,0,0,0,1|2,0,0]=4 1069 B13R1.202 CC(=O)C(C)Sc1ccccc1N 62a_100009814033_100000210017 [0,1,0,0,0,1|2,0,0]=4 1070 B13R1.202 CC(=O)C(C)Sc1ccccc1O 62a_100000739446_100009814033 [0,1,0,0,0,1|2,0,0]=4 1071 B13R1.202 CC(=O)C(C)Sc1ccccc1O 62a_100009814033_100000739446 [0,1,0,0,0,1|2,0,0]=4 1072 B13R1.202 CC(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200000210301 [0,1,0,0,0,1|1,0,0]=3 1073 B13R1.202 CC(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200000210301 [0,1,0,0,0,1|1,0,0]=3 1074 B13R1.202 CC(Nc1ccccc1Br)C(=O)N 34a_100000210017_100000702099 [0,1,0,0,0,1|2,0,0]=4 1075 B13R1.202 CC(Nc1ccccc1Cl)C(=O)N 34a_100000185783_100000702099 [0,1,0,0,0,1|2,0,0]=4 1076 B13R1.202 CC(Nc1ccccc1F)C(=O)N 34a_100000210422_100000702099 [0,1,0,0,0,1|2,0,0]=4 1077 B13R1.202 CC(Nc1ccccc1I)C(=O)N 34a_100000210053_100000702099 [0,1,0,0,0,1|2,0,0]=4 1078 B13R1.202 CC(Nc1ccccc1O)C(=O)N 34a_100000185747_100000702099 [0,1,0,0,0,1|2,0,0]=4 1079 B13R1.202 CC(Oc1ccccc1Br)C(=O)N 34a_100000181306_100000702099 [0,1,0,0,0,1|2,0,0]=4 1080 B13R1.202 CC(Oc1ccccc1Br)C(=O)N 7a_100000181306_100000702099 [0,1,0,0,0,1|2,0,0]=4 1081 B13R1.202 CC(Oc1ccccc1Br)C(=O)[13CH3] 1458a_100000246065_200025704644 [0,1,0,0,0,1|2,0,0]=4 1082 B13R1.202 CC(Oc1ccccc1Cl)C(=O)N 34a_100000210172_100000702099 [0,1,0,0,0,1|2,0,0]=4 1083 B13R1.202 CC(Oc1ccccc1Cl)C(=O)N 7a_100000210172_100000702099 [0,1,0,0,0,1|2,0,0]=4 1084 B13R1.202 CC(Oc1ccccc1Cl)C(=O)[13CH3] 1458a_100000191201_200025704644 [0,1,0,0,0,1|2,0,0]=4 1085 B13R1.202 CC(Oc1ccccc1F)C(=O)N 34a_100000210171_100000702099 [0,1,0,0,0,1|2,0,0]=4 1086 B13R1.202 CC(Oc1ccccc1F)C(=O)N 7a_100000210171_100000702099 [0,1,0,0,0,1|2,0,0]=4 1087 B13R1.202 CC(Oc1ccccc1F)C(=O)[13CH3] 1458a_100000191191_200025704644 [0,1,0,0,0,1|2,0,0]=4 1088 B13R1.202 CC(Oc1ccccc1I)C(=O)N 34a_100000739446_100000702099 [0,1,0,0,0,1|2,0,0]=4 1089 B13R1.202 CC(Oc1ccccc1I)C(=O)N 7a_100000739446_100000702099 [0,1,0,0,0,1|2,0,0]=4 1090 B13R1.202 CC(Oc1ccccc1N)C(=O)N 34a_100000185747_100000702099 [0,1,0,0,0,1|2,0,0]=4 1091 B13R1.202 CC(Oc1ccccc1N)C(=O)N 7a_100000185747_100000702099 [0,1,0,0,0,1|2,0,0]=4 1092 B13R1.202 CC(Oc1ccccc1O)C(=O)N 271570a_203496583355_100000148488 [0,1,0,0,0,1|2,0,0]=4 1093 B13R1.202 CC(Sc1ccccc1Br)C(=O)N 62a_100000695589_100000702099 [0,1,0,0,0,1|2,0,0]=4 1094 B13R1.202 CC(Sc1ccccc1Br)C(=O)N 62a_100000702099_100000695589 [0,1,0,0,0,1|2,0,0]=4 1095 B13R1.202 CC(Sc1ccccc1Cl)C(=O)N 62a_100000702099_100000764095 [0,1,0,0,0,1|2,0,0]=4 1096 B13R1.202 CC(Sc1ccccc1Cl)C(=O)N 62a_100000764095_100000702099 [0,1,0,0,0,1|2,0,0]=4 1097 B13R1.202 CC(Sc1ccccc1Cl)C(=O)[13CH3] 1458a_100000181065_200025704644 [0,1,0,0,0,1|2,0,0]=4 1098 B13R1.202 CC(Sc1ccccc1F)C(=O)N 62a_100000702099_100011215700 [0,1,0,0,0,1|2,0,0]=4 1099 B13R1.202 CC(Sc1ccccc1F)C(=O)N 62a_100011215700_100000702099 [0,1,0,0,0,1|2,0,0]=4 1100 B13R1.202 CC(Sc1ccccc1N)C(=O)N 62a_100000210017_100000702099 [0,1,0,0,0,1|2,0,0]=4 1101 B13R1.202 CC(Sc1ccccc1N)C(=O)N 62a_100000702099_100000210017 [0,1,0,0,0,1|2,0,0]=4 1102 B13R1.202 CC(Sc1ccccc1O)C(=O)N 62a_100000702099_100000739446 [0,1,0,0,0,1|2,0,0]=4 1103 B13R1.202 CC(Sc1ccccc1O)C(=O)N 62a_100000739446_100000702099 [0,1,0,0,0,1|2,0,0]=4 1104 B13R1.202 Cc1ccccc1NC(C)C(=O)N 34a_100015192222_100000702099 [0,1,0,0,0,1|2,0,0]=4 1105 B13R1.202 Cc1ccccc1NC(F)C(=O)N 34a_100015192222_100009813875 [0,1,0,0,0,1|2,0,0]=4 1106 B13R1.202 Cc1ccccc1NC(F)C(=O)[O-] 34a_100015192222_100020610796 [0,1,0,0,0,1|1,0,1]=4 1107 B13R1.202 Cc1ccccc1OC(C)C(=O)N 34a_100000210338_100000702099 [0,1,0,0,0,1|2,0,0]=4 1108 B13R1.202 Cc1ccccc1OC(C)C(=O)N 7a_100000210338_100000702099 [0,1,0,0,0,1|2,0,0]=4 1109 B13R1.202 Cc1ccccc1OC(C)C(=O)[13CH3] 1458a_100000189243_200025704644 [0,1,0,0,0,1|2,0,0]=4 1110 B13R1.202 Cc1ccccc1OC(F)C(=O)N 34a_100000210338_100009813875 [0,1,0,0,0,1|2,0,0]=4 1111 B13R1.202 Cc1ccccc1OC(F)C(=O)N 7a_100000210338_100009813875 [0,1,0,0,0,1|2,0,0]=4 1112 B13R1.202 Cc1ccccc1OC(F)C(=O)[O-] 34a_100000210338_100020610796 [0,1,0,0,0,1|1,0,1]=4 1113 B13R1.202 Cc1ccccc1SC(C)C(=O)N 62a_100000210755_100000702099 [0,1,0,0,0,1|2,0,0]=4 1114 B13R1.202 Cc1ccccc1SC(C)C(=O)N 62a_100000702099_100000210755 [0,1,0,0,0,1|2,0,0]=4 1115 B13R1.202 Cc1ccccc1SC(F)C(=O)N 62a_100000210755_100009813875 [0,1,0,0,0,1|2,0,0]=4 1116 B13R1.202 Cc1ccccc1SC(F)C(=O)N 62a_100009813875_100000210755 [0,1,0,0,0,1|2,0,0]=4 1117 B13R1.202 Cc1ccccc1SC(F)C(=O)[O-] 62a_100000210755_100020610796 [0,1,0,0,0,1|1,0,1]=4 1118 B13R1.202 Cc1ccccc1SC(F)C(=O)[O-] 62a_100020610796_100000210755 [0,1,0,0,0,1|1,0,1]=4 1119 B13R1.202 NC(=O)C(F)Nc1ccccc1Br 34a_100000210017_100009813875 [0,1,0,0,0,1|2,0,0]=4 1120 B13R1.202 NC(=O)C(F)Nc1ccccc1Cl 34a_100000185783_100009813875 [0,1,0,0,0,1|2,0,0]=4 1121 B13R1.202 NC(=O)C(F)Nc1ccccc1F 34a_100000210422_100009813875 [0,1,0,0,0,1|2,0,0]=4 1122 B13R1.202 NC(=O)C(F)Nc1ccccc1I 34a_100000210053_100009813875 [0,1,0,0,0,1|2,0,0]=4 1123 B13R1.202 NC(=O)C(F)Nc1ccccc1O 34a_100000185747_100009813875 [0,1,0,0,0,1|2,0,0]=4 1124 B13R1.202 NC(=O)C(F)Oc1ccccc1Br 34a_100000181306_100009813875 [0,1,0,0,0,1|2,0,0]=4 1125 B13R1.202 NC(=O)C(F)Oc1ccccc1Br 7a_100000181306_100009813875 [0,1,0,0,0,1|2,0,0]=4 1126 B13R1.202 NC(=O)C(F)Oc1ccccc1Cl 34a_100000210172_100009813875 [0,1,0,0,0,1|2,0,0]=4 1127 B13R1.202 NC(=O)C(F)Oc1ccccc1Cl 7a_100000210172_100009813875 [0,1,0,0,0,1|2,0,0]=4 1128 B13R1.202 NC(=O)C(F)Oc1ccccc1F 34a_100000210171_100009813875 [0,1,0,0,0,1|2,0,0]=4 1129 B13R1.202 NC(=O)C(F)Oc1ccccc1F 7a_100000210171_100009813875 [0,1,0,0,0,1|2,0,0]=4 1130 B13R1.202 NC(=O)C(F)Oc1ccccc1I 34a_100000739446_100009813875 [0,1,0,0,0,1|2,0,0]=4 1131 B13R1.202 NC(=O)C(F)Oc1ccccc1I 7a_100000739446_100009813875 [0,1,0,0,0,1|2,0,0]=4 1132 B13R1.202 NC(=O)C(F)Oc1ccccc1N 34a_100000185747_100009813875 [0,1,0,0,0,1|2,0,0]=4 1133 B13R1.202 NC(=O)C(F)Oc1ccccc1N 7a_100000185747_100009813875 [0,1,0,0,0,1|2,0,0]=4 1134 B13R1.202 NC(=O)C(F)Sc1ccccc1Br 62a_100000695589_100009813875 [0,1,0,0,0,1|2,0,0]=4 1135 B13R1.202 NC(=O)C(F)Sc1ccccc1Br 62a_100009813875_100000695589 [0,1,0,0,0,1|2,0,0]=4 1136 B13R1.202 NC(=O)C(F)Sc1ccccc1Cl 62a_100000764095_100009813875 [0,1,0,0,0,1|2,0,0]=4 1137 B13R1.202 NC(=O)C(F)Sc1ccccc1Cl 62a_100009813875_100000764095 [0,1,0,0,0,1|2,0,0]=4 1138 B13R1.202 NC(=O)C(F)Sc1ccccc1F 62a_100009813875_100011215700 [0,1,0,0,0,1|2,0,0]=4 1139 B13R1.202 NC(=O)C(F)Sc1ccccc1F 62a_100011215700_100009813875 [0,1,0,0,0,1|2,0,0]=4 1140 B13R1.202 NC(=O)C(F)Sc1ccccc1N 62a_100000210017_100009813875 [0,1,0,0,0,1|2,0,0]=4 1141 B13R1.202 NC(=O)C(F)Sc1ccccc1N 62a_100009813875_100000210017 [0,1,0,0,0,1|2,0,0]=4 1142 B13R1.202 NC(=O)C(F)Sc1ccccc1O 62a_100000739446_100009813875 [0,1,0,0,0,1|2,0,0]=4 1143 B13R1.202 NC(=O)C(F)Sc1ccccc1O 62a_100009813875_100000739446 [0,1,0,0,0,1|2,0,0]=4 1144 B13R1.202 Nc1ccccc1OC(F)C(=O)[O-] 34a_100000185747_100020610796 [0,1,0,0,0,1|1,0,1]=4 1145 B13R1.202 Nc1ccccc1SC(F)C(=O)[O-] 62a_100000210017_100020610796 [0,1,0,0,0,1|1,0,1]=4 1146 B13R1.202 Nc1ccccc1SC(F)C(=O)[O-] 62a_100020610796_100000210017 [0,1,0,0,0,1|1,0,1]=4 1147 B13R1.202 O=C([O-])C(F)Nc1ccccc1Br 34a_100000210017_100020610796 [0,1,0,0,0,1|1,0,1]=4 1148 B13R1.202 O=C([O-])C(F)Nc1ccccc1Cl 34a_100000185783_100020610796 [0,1,0,0,0,1|1,0,1]=4 1149 B13R1.202 O=C([O-])C(F)Nc1ccccc1F 34a_100000210422_100020610796 [0,1,0,0,0,1|1,0,1]=4 1150 B13R1.202 O=C([O-])C(F)Nc1ccccc1I 34a_100000210053_100020610796 [0,1,0,0,0,1|1,0,1]=4 1151 B13R1.202 O=C([O-])C(F)Nc1ccccc1O 34a_100000185747_100020610796 [0,1,0,0,0,1|1,0,1]=4 1152 B13R1.202 O=C([O-])C(F)Oc1ccccc1Br 34a_100000181306_100020610796 [0,1,0,0,0,1|1,0,1]=4 1153 B13R1.202 O=C([O-])C(F)Oc1ccccc1Cl 34a_100000210172_100020610796 [0,1,0,0,0,1|1,0,1]=4 1154 B13R1.202 O=C([O-])C(F)Oc1ccccc1F 34a_100000210171_100020610796 [0,1,0,0,0,1|1,0,1]=4 1155 B13R1.202 O=C([O-])C(F)Oc1ccccc1I 34a_100000739446_100020610796 [0,1,0,0,0,1|1,0,1]=4 1156 B13R1.202 O=C([O-])C(F)Sc1ccccc1Br 62a_100000695589_100020610796 [0,1,0,0,0,1|1,0,1]=4 1157 B13R1.202 O=C([O-])C(F)Sc1ccccc1Br 62a_100020610796_100000695589 [0,1,0,0,0,1|1,0,1]=4 1158 B13R1.202 O=C([O-])C(F)Sc1ccccc1Cl 62a_100000764095_100020610796 [0,1,0,0,0,1|1,0,1]=4 1159 B13R1.202 O=C([O-])C(F)Sc1ccccc1Cl 62a_100020610796_100000764095 [0,1,0,0,0,1|1,0,1]=4 1160 B13R1.202 O=C([O-])C(F)Sc1ccccc1F 62a_100011215700_100020610796 [0,1,0,0,0,1|1,0,1]=4 1161 B13R1.202 O=C([O-])C(F)Sc1ccccc1F 62a_100020610796_100011215700 [0,1,0,0,0,1|1,0,1]=4 1162 B13R1.202 O=C([O-])C(F)Sc1ccccc1O 62a_100000739446_100020610796 [0,1,0,0,0,1|1,0,1]=4 1163 B13R1.202 O=C([O-])C(F)Sc1ccccc1O 62a_100020610796_100000739446 [0,1,0,0,0,1|1,0,1]=4 1164 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200025704644 [0,1,0,0,0,1|1,0,0]=3 1165 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200025704644 [0,1,0,0,0,1|1,0,0]=3 1166 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000070787_100000183401 [0,1,0,0,0,1|2,0,0]=4 1167 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200000210301 [0,1,0,0,0,1|2,0,0]=4 1168 B13R1.418 CCC(Nc1ccccc1)C(=O)N 34a_100000106764_100000750255 [0,1,0,0,0,1|2,0,0]=4 1169 B13R1.418 CCC(Oc1ccccc1)C(=O)C 1458a_100000211556_200000210301 [0,1,0,0,0,1|2,0,0]=4 1170 B13R1.418 CCC(Oc1ccccc1)C(=O)N 34a_100000210340_100000750255 [0,1,0,0,0,1|2,0,0]=4 1171 B13R1.418 CCC(Oc1ccccc1)C(=O)N 7a_100000210340_100000750255 [0,1,0,0,0,1|2,0,0]=4 1172 B13R1.418 CCC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000211556_200025704644 [0,1,0,0,0,1|2,0,0]=4 1173 B13R1.418 CCC(Sc1ccccc1)C(=O)C 1458a_100000230495_200000210301 [0,1,0,0,0,1|2,0,0]=4 1174 B13R1.418 CCC(Sc1ccccc1)C(=O)N 62a_100000719477_100000750255 [0,1,0,0,0,1|2,0,0]=4 1175 B13R1.418 CCC(Sc1ccccc1)C(=O)N 62a_100000750255_100000041952 [0,1,0,0,0,1|2,0,0]=4 1176 B13R1.418 CCC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000230495_200025704644 [0,1,0,0,0,1|2,0,0]=4 1177 B13R1.418 CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_200000210301 [0,1,0,0,0,1|2,0,0]=4 1178 B13R1.418 CNC(Cc1ccccc1)C(=O)N 34a_100000745710_200000210301 [0,1,0,0,0,1|2,0,0]=4 1179 B13R1.418 [13CH3]C(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200025704644 [0,1,0,0,0,1|2,0,0]=4 1180 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 2230a_100000745710_200025704644 [0,1,0,0,0,1|2,0,0]=4 1181 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 34a_100000745710_200025704644 [0,1,0,0,0,1|2,0,0]=4 1182 B13R1.1073 CC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_200000210301 [0,1,0,0,0,1|2,0,0]=4 1183 B13R1.1073 CC(=O)C(C)(C)Oc1ccccc1 1458a_100000743201_200000210301 [0,1,0,0,0,1|2,0,0]=4 1184 B13R1.1073 CC(=O)C(C)(C)Oc1ccccc1 7a_100000210340_100000075568 [0,1,0,0,0,1|2,0,0]=4 1185 B13R1.1073 CC(=O)C(C)(C)Sc1ccccc1 62a_100000075568_100000041952 [0,1,0,0,0,1|2,0,0]=4 1186 B13R1.1073 CC(=O)C(C)(C)Sc1ccccc1 62a_100000719477_100000075568 [0,1,0,0,0,1|2,0,0]=4 1187 B13R1.1073 CC(=O)C(F)(F)Oc1ccccc1 1458a_100000070787_200000057402 [0,1,0,0,0,1|2,0,0]=4 1188 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)[13CH3] 1458a_100000757416_200025704644 [0,1,0,0,0,1|2,0,0]=4 1189 B13R1.1073 CC(C)(Nc1ccccc1)C(=O)N 34a_100000106764_100000702505 [0,1,0,0,0,1|2,0,0]=4 1190 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)N 34a_100000210340_100000702505 [0,1,0,0,0,1|2,0,0]=4 1191 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)N 7a_100000210340_100000702505 [0,1,0,0,0,1|2,0,0]=4 1192 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)[13CH3] 1458a_100000743201_200025704644 [0,1,0,0,0,1|2,0,0]=4 1193 B13R1.1073 CC(C)(Sc1ccccc1)C(=O)N 62a_100000702505_100000041952 [0,1,0,0,0,1|2,0,0]=4 1194 B13R1.1073 CC(C)(Sc1ccccc1)C(=O)N 62a_100000719477_100000702505 [0,1,0,0,0,1|2,0,0]=4 1195 B13R1.1073 NC(=O)C(F)(F)Oc1ccccc1 7a_100000210340_100009811971 [0,1,0,0,0,1|2,0,0]=4 1196 B13R1.1073 NC(=O)C(F)(F)Sc1ccccc1 62a_100000719477_100009811971 [0,1,0,0,0,1|2,0,0]=4 1197 B13R1.1073 NC(=O)C(F)(F)Sc1ccccc1 62a_100009811971_100000041952 [0,1,0,0,0,1|2,0,0]=4 1198 B13R1.1073 O=C([O-])C(F)(F)Nc1ccccc1 34a_100000106764_100020612412 [0,1,0,0,0,1|1,0,1]=4 1199 B13R1.1073 O=C([O-])C(F)(F)Oc1ccccc1 34a_100000210340_100020612412 [0,1,0,0,0,1|1,0,1]=4 1200 B13R1.1073 O=C([O-])C(F)(F)Sc1ccccc1 62a_100000719477_100000745680 [0,1,0,0,0,1|1,0,1]=4 1201 B13R1.1073 O=C([O-])C(F)(F)Sc1ccccc1 62a_100000745680_100000041952 [0,1,0,0,0,1|1,0,1]=4 1202 B13R1.11 C#CC(=O)CC(C)c1ccccc1 1458a_100000211873_100000756946 [0,1,0,0,0,1|2,0,0]=4 1203 B13R1.11 C#CC(=O)CC(O)c1ccccc1 1458a_100000211873_100000185958 [0,1,0,0,0,1|1,0,0]=3 1204 B13R1.11 C#CC(=O)C[C@@H](O)c1ccccc1 1458a_100000211873_100011933945 [0,1,0,0,0,1|1,0,0]=3 1205 B13R1.11 C=CC(=O)CC(C)c1ccccc1 1458a_100000185746_100000756946 [0,1,0,0,0,1|2,0,0]=4 1206 B13R1.11 C=CC(=O)CC(O)c1ccccc1 1458a_100000185746_100000185958 [0,1,0,0,0,1|1,0,0]=3 1207 B13R1.11 C=CC(=O)C[C@@H](O)c1ccccc1 1458a_100000185746_100011933945 [0,1,0,0,0,1|1,0,0]=3 1208 B13R1.11 C=CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000185746 [0,1,0,0,0,1|2,0,0]=4 1209 B13R1.11 C=CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_200121576911 [0,1,0,0,0,1|2,0,0]=4 1210 B13R1.11 CC(CC(=O)CF)c1ccccc1 1458a_100000183687_100015361967 [0,1,0,0,0,1|2,0,0]=4 1211 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [0,1,0,0,0,1|1,0,0]=3 1212 B13R1.11 CC(NC(=O)CO)c1ccccn1 240690a_100000181244_100000210174 [0,1,0,0,0,1|2,0,0]=4 1213 B13R1.11 CC(NC(=O)CO)c1ccccn1 527a_100000181244_100000210174 [0,1,0,0,0,1|2,0,0]=4 1214 B13R1.11 CC(NC(=O)CO)c1cccnc1 240690a_100000195435_100000210174 [0,1,0,0,0,1|2,0,0]=4 1215 B13R1.11 CC(NC(=O)CO)c1cccnc1 527a_100000195435_100000210174 [0,1,0,0,0,1|2,0,0]=4 1216 B13R1.11 CC(NC(=O)CO)c1ccncc1 240690a_100000181269_100000210174 [0,1,0,0,0,1|2,0,0]=4 1217 B13R1.11 CC(NC(=O)CO)c1ccncc1 527a_100000181269_100000210174 [0,1,0,0,0,1|2,0,0]=4 1218 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210202 [0,1,0,0,0,1|2,0,0]=4 1219 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000210414_100000756946 [0,1,0,0,0,1|2,0,0]=4 1220 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [0,1,0,0,0,1|1,0,0]=3 1221 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [0,1,0,0,0,1|1,0,0]=3 1222 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [0,1,0,0,0,1|1,0,0]=3 1223 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210414 [0,1,0,0,0,1|2,0,0]=4 1224 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210414 [0,1,0,0,0,1|2,0,0]=4 1225 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210414 [0,1,0,0,0,1|2,0,0]=4 1226 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210414 [0,1,0,0,0,1|2,0,0]=4 1227 B13R1.11 CNC(=O)CC(C)c1ccccc1 11a_106832991635_100000183687 [0,1,0,0,0,1|2,0,0]=4 1228 B13R1.11 CNC(=O)CC(C)c1ccccc1 1626a_100102657272_100000183687 [0,1,0,0,0,1|2,0,0]=4 1229 B13R1.11 CNC(=O)CC(C)c1ccccc1 240690a_100102657272_100000183687 [0,1,0,0,0,1|2,0,0]=4 1230 B13R1.11 CNC(=O)CC(C)c1ccccc1 527a_100102657272_100000183687 [0,1,0,0,0,1|2,0,0]=4 1231 B13R1.11 CNC(=O)CC(O)c1ccccc1 240690a_100102657272_100000690199 [0,1,0,0,0,1|1,0,0]=3 1232 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_106832991635 [0,1,0,0,0,1|2,0,0]=4 1233 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100102657272_100000751104 [0,1,0,0,0,1|2,0,0]=4 1234 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100102657272 [0,1,0,0,0,1|2,0,0]=4 1235 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100102657272_100000751104 [0,1,0,0,0,1|2,0,0]=4 1236 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100102657272 [0,1,0,0,0,1|2,0,0]=4 1237 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_106832991638_100000751104 [0,1,0,0,0,1|2,0,0]=4 1238 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [0,1,0,0,0,1|0,0,2]=4 1239 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747449 [0,1,0,0,0,1|2,0,0]=4 1240 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000757779_200000210301 [0,1,0,0,0,1|2,0,0]=4 1241 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747449 [0,1,0,0,0,1|2,0,0]=4 1242 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000757779_200000210301 [0,1,0,0,0,1|2,0,0]=4 1243 B13R1.11 COC(=O)CN(C)c1ccccc1 34a_100000210012_100000747449 [0,1,0,0,0,1|2,0,0]=4 1244 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 2230a_100000757779_200025704644 [0,1,0,0,0,1|2,0,0]=4 1245 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 269982a_100000757779_200025704644 [0,1,0,0,0,1|2,0,0]=4 1246 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 240690a_100000751104_100000210174 [0,1,0,0,0,1|1,0,0]=3 1247 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 527a_100000751104_100000210174 [0,1,0,0,0,1|1,0,0]=3 1248 B13R1.11 O=C(CF)CC(O)c1ccccc1 1458a_100000690199_100015361967 [0,1,0,0,0,1|1,0,0]=3 1249 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [0,1,0,0,0,1|0,0,2]=4 1250 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [0,1,0,0,0,1|0,0,0]=2 1251 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [0,1,0,0,0,1|0,0,0]=2 1252 B13R1.132 CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_200000210301 [0,1,0,0,0,1|2,0,0]=4 1253 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [0,1,0,0,0,1|1,0,0]=3 1254 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [0,1,0,0,0,1|1,0,0]=3 1255 B13R1.132 CC(=O)NC(C)c1ccc(cc1)O 271570a_203496583355_100000153805 [0,1,0,0,0,1|2,0,0]=4 1256 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 11a_100025705893_100015343762 [0,1,0,0,0,1|2,0,0]=4 1257 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 1626a_100025705893_100015343762 [0,1,0,0,0,1|2,0,0]=4 1258 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 240690a_100025705893_100015343762 [0,1,0,0,0,1|2,0,0]=4 1259 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 527a_100025705893_100103153847 [0,1,0,0,0,1|2,0,0]=4 1260 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 11a_100000753911_100015343762 [0,1,0,0,0,1|2,0,0]=4 1261 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 1626a_100000753911_100015343762 [0,1,0,0,0,1|2,0,0]=4 1262 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 240690a_100000753911_100015343762 [0,1,0,0,0,1|2,0,0]=4 1263 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 527a_100000753911_100103153847 [0,1,0,0,0,1|2,0,0]=4 1264 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_100015343762 [0,1,0,0,0,1|2,0,0]=4 1265 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 11a_100000720352_100015343762 [0,1,0,0,0,1|2,0,0]=4 1266 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 1626a_100000720352_100015343762 [0,1,0,0,0,1|2,0,0]=4 1267 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 240690a_100000720352_100015343762 [0,1,0,0,0,1|2,0,0]=4 1268 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 527a_100000720352_100103153847 [0,1,0,0,0,1|2,0,0]=4 1269 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 11a_100016988085_100015343762 [0,1,0,0,0,1|2,0,0]=4 1270 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 1626a_100016988085_100015343762 [0,1,0,0,0,1|2,0,0]=4 1271 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 240690a_100016988085_100015343762 [0,1,0,0,0,1|2,0,0]=4 1272 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 527a_100016988085_100103153847 [0,1,0,0,0,1|2,0,0]=4 1273 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 11a_100015205461_100015343762 [0,1,0,0,0,1|2,0,0]=4 1274 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 1626a_100015205461_100015343762 [0,1,0,0,0,1|2,0,0]=4 1275 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 240690a_100015205461_100015343762 [0,1,0,0,0,1|2,0,0]=4 1276 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 527a_100015205461_100103153847 [0,1,0,0,0,1|2,0,0]=4 1277 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200000210301 [0,1,0,0,0,1|2,0,0]=4 1278 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000210301 [0,1,0,0,0,1|2,0,0]=4 1279 B13R1.132 CN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200000210301 [0,1,0,0,0,1|2,0,0]=4 1280 B13R1.132 CN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200000210301 [0,1,0,0,0,1|2,0,0]=4 1281 B13R1.132 Cc1ccc(cc1)C(C)CC(=O)[13CH3] 1458a_100011240733_200025704644 [0,1,0,0,0,1|2,0,0]=4 1282 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200025704644 [0,1,0,0,0,1|2,0,0]=4 1283 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200025704644 [0,1,0,0,0,1|2,0,0]=4 1284 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200025704644 [0,1,0,0,0,1|2,0,0]=4 1285 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200025704644 [0,1,0,0,0,1|2,0,0]=4 1286 B13R1.147 CC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200000210301 [0,1,0,0,0,1|1,0,0]=3 1287 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 11a_100020642005_100015343762 [0,1,0,0,0,1|2,0,0]=4 1288 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 1626a_100020642005_100015343762 [0,1,0,0,0,1|2,0,0]=4 1289 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 240690a_100020642005_100015343762 [0,1,0,0,0,1|2,0,0]=4 1290 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 527a_100020642005_100103153847 [0,1,0,0,0,1|2,0,0]=4 1291 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 11a_100102723534_100015343762 [0,1,0,0,0,1|2,0,0]=4 1292 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 1626a_100102723534_100015343762 [0,1,0,0,0,1|2,0,0]=4 1293 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 240690a_100102723534_100015343762 [0,1,0,0,0,1|2,0,0]=4 1294 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 527a_100102723534_100103153847 [0,1,0,0,0,1|2,0,0]=4 1295 B13R1.147 CC(=O)NC(C)c1cccc(c1)O 240690a_100000740644_100015343762 [0,1,0,0,0,1|2,0,0]=4 1296 B13R1.147 CC(=O)NC(C)c1cccc(c1)O 527a_100000740644_100103153847 [0,1,0,0,0,1|2,0,0]=4 1297 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 11a_100000698126_100015343762 [0,1,0,0,0,1|2,0,0]=4 1298 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 1626a_100000698126_100015343762 [0,1,0,0,0,1|2,0,0]=4 1299 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 240690a_100000698126_100015343762 [0,1,0,0,0,1|2,0,0]=4 1300 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 527a_100000698126_100103153847 [0,1,0,0,0,1|2,0,0]=4 1301 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 11a_100015193778_100015343762 [0,1,0,0,0,1|2,0,0]=4 1302 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 1626a_100015193778_100015343762 [0,1,0,0,0,1|2,0,0]=4 1303 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 240690a_100015193778_100015343762 [0,1,0,0,0,1|2,0,0]=4 1304 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 527a_100015193778_100103153847 [0,1,0,0,0,1|2,0,0]=4 1305 B13R1.147 CN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200000210301 [0,1,0,0,0,1|2,0,0]=4 1306 B13R1.147 CN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200000210301 [0,1,0,0,0,1|2,0,0]=4 1307 B13R1.147 [13CH3]C(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200025704644 [0,1,0,0,0,1|1,0,0]=3 1308 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200025704644 [0,1,0,0,0,1|2,0,0]=4 1309 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200025704644 [0,1,0,0,0,1|2,0,0]=4 1310 B13R1.201 CC(=O)CC(C)c1ccccc1Br 1458a_100000743458_200000210301 [0,1,0,0,0,1|2,0,0]=4 1311 B13R1.201 CC(=O)CC(C)c1ccccc1Cl 1458a_100012184337_200000210301 [0,1,0,0,0,1|2,0,0]=4 1312 B13R1.201 CC(=O)NC(C)c1ccccc1Br 11a_100000181357_100015343762 [0,1,0,0,0,1|2,0,0]=4 1313 B13R1.201 CC(=O)NC(C)c1ccccc1Br 1626a_100000181357_100015343762 [0,1,0,0,0,1|2,0,0]=4 1314 B13R1.201 CC(=O)NC(C)c1ccccc1Br 240690a_100000181357_100015343762 [0,1,0,0,0,1|2,0,0]=4 1315 B13R1.201 CC(=O)NC(C)c1ccccc1Br 527a_100000181357_100103153847 [0,1,0,0,0,1|2,0,0]=4 1316 B13R1.201 CC(=O)NC(C)c1ccccc1C 11a_100000181355_100015343762 [0,1,0,0,0,1|2,0,0]=4 1317 B13R1.201 CC(=O)NC(C)c1ccccc1C 1626a_100000181355_100015343762 [0,1,0,0,0,1|2,0,0]=4 1318 B13R1.201 CC(=O)NC(C)c1ccccc1C 240690a_100000181355_100015343762 [0,1,0,0,0,1|2,0,0]=4 1319 B13R1.201 CC(=O)NC(C)c1ccccc1C 527a_100000181355_100103153847 [0,1,0,0,0,1|2,0,0]=4 1320 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 11a_100000174978_100015343762 [0,1,0,0,0,1|2,0,0]=4 1321 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 1626a_100000174978_100015343762 [0,1,0,0,0,1|2,0,0]=4 1322 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 240690a_100000174978_100015343762 [0,1,0,0,0,1|2,0,0]=4 1323 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 527a_100000174978_100103153847 [0,1,0,0,0,1|2,0,0]=4 1324 B13R1.201 CC(=O)NC(C)c1ccccc1F 11a_100000181408_100015343762 [0,1,0,0,0,1|2,0,0]=4 1325 B13R1.201 CC(=O)NC(C)c1ccccc1F 1626a_100000181408_100015343762 [0,1,0,0,0,1|2,0,0]=4 1326 B13R1.201 CC(=O)NC(C)c1ccccc1F 240690a_100000181408_100015343762 [0,1,0,0,0,1|2,0,0]=4 1327 B13R1.201 CC(=O)NC(C)c1ccccc1F 527a_100000181408_100103153847 [0,1,0,0,0,1|2,0,0]=4 1328 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O 240690a_100025703389_100015343762 [0,1,0,0,0,1|2,0,0]=4 1329 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O 527a_100025703389_100103153847 [0,1,0,0,0,1|2,0,0]=4 1330 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Br 1458a_100000743458_200025704644 [0,1,0,0,0,1|2,0,0]=4 1331 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Cl 1458a_100012184337_200025704644 [0,1,0,0,0,1|2,0,0]=4 1332 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200000210301 [0,1,0,0,0,1|2,0,0]=4 1333 B13R1.201 CN(CC(=O)O)c1ccccc1F 269956a_200011202418_200000210301 [0,1,0,0,0,1|2,0,0]=4 1334 B13R1.201 Cc1ccccc1N(C)CC(=O)O 269956a_200011202413_200000210301 [0,1,0,0,0,1|2,0,0]=4 1335 B13R1.201 Cc1ccccc1N([13CH3])CC(=O)O 269956a_200011202413_200025704644 [0,1,0,0,0,1|2,0,0]=4 1336 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200025704644 [0,1,0,0,0,1|2,0,0]=4 1337 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1F 269956a_200011202418_200025704644 [0,1,0,0,0,1|2,0,0]=4 1338 B13R1.347 CC(=O)CC(C)(C)c1ccccc1 1458a_100011409233_200000210301 [0,1,0,0,0,1|2,0,0]=4 1339 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 11a_100011218174_100015343762 [0,1,0,0,0,1|2,0,0]=4 1340 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 1626a_100011218174_100015343762 [0,1,0,0,0,1|2,0,0]=4 1341 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 240690a_100011218174_100015343762 [0,1,0,0,0,1|2,0,0]=4 1342 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 527a_100011218174_100103153847 [0,1,0,0,0,1|2,0,0]=4 1343 B13R1.347 CC(C)(CC(=O)[13CH3])c1ccccc1 1458a_100011409233_200025704644 [0,1,0,0,0,1|2,0,0]=4 1344 B13R1.713 CC(=O)CC(C#N)c1ccccc1 1458a_200000079825_200000210301 [0,1,0,0,0,1|2,0,0]=4 1345 B13R1.713 CC(=O)CC(CO)c1ccccc1 1458a_106726389045_200000210301 [0,1,0,0,0,1|1,0,0]=3 1346 B13R1.713 CC(=O)NC(C#N)c1ccccc1 1626a_100020627052_100015343762 [0,1,0,0,0,1|2,0,0]=4 1347 B13R1.713 CC(=O)NC(C#N)c1ccccc1 240690a_100020627052_100015343762 [0,1,0,0,0,1|2,0,0]=4 1348 B13R1.713 CC(=O)NC(CO)c1ccccn1 240690a_100015196888_100015343762 [0,1,0,0,0,1|2,0,0]=4 1349 B13R1.713 CC(=O)NC(CO)c1ccccn1 527a_100015196888_100103153847 [0,1,0,0,0,1|2,0,0]=4 1350 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100015343762 [0,1,0,0,0,1|1,0,0]=3 1351 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100103153847 [0,1,0,0,0,1|1,0,0]=3 1352 B13R1.713 CC(=O)N[C@H](CO)c1ccncc1 240690a_100138412524_100015343762 [0,1,0,0,0,1|2,0,0]=4 1353 B13R1.713 CC(=O)N[C@H](CO)c1ccncc1 527a_100138412524_100103153847 [0,1,0,0,0,1|2,0,0]=4 1354 B13R1.713 CCC(NC(=O)C)c1ccccc1 11a_100000737752_100015343762 [0,1,0,0,0,1|2,0,0]=4 1355 B13R1.713 CCC(NC(=O)C)c1ccccc1 1626a_100000737752_100015343762 [0,1,0,0,0,1|2,0,0]=4 1356 B13R1.713 CCC(NC(=O)C)c1ccccc1 240690a_100000737752_100015343762 [0,1,0,0,0,1|2,0,0]=4 1357 B13R1.713 CCC(NC(=O)C)c1ccccc1 527a_100000737752_100103153847 [0,1,0,0,0,1|2,0,0]=4 1358 B13R1.713 CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210202 [0,1,0,0,0,1|2,0,0]=4 1359 B13R1.713 CNC(CC(=O)O)c1cccnc1 269956a_100000239604_200000210301 [0,1,0,0,0,1|2,0,0]=4 1360 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [0,1,0,0,0,1|1,0,0]=3 1361 B13R1.713 O=C(O)CN(CF)c1ccccc1 269956a_100000212060_100015361967 [0,1,0,0,0,1|2,0,0]=4 1362 B13R1.713 [13CH3]C(=O)CC(C#N)c1ccccc1 1458a_200000079825_200025704644 [0,1,0,0,0,1|2,0,0]=4 1363 B13R1.713 [13CH3]C(=O)CC(CO)c1ccccc1 1458a_106726389045_200025704644 [0,1,0,0,0,1|1,0,0]=3 1364 B13R1.713 [13CH3]NC(CC(=O)O)c1cccnc1 269956a_100000239604_200025704644 [0,1,0,0,0,1|2,0,0]=4 1365 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [0,1,0,0,0,1|1,0,0]=3 1366 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)Br 1458a_100000211873_100000755118 [0,2,0,0,0,0|2,0,0]=4 1367 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)C 1458a_100000211873_100011261388 [0,2,0,0,0,0|2,0,0]=4 1368 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000211873_100000684792 [0,2,0,0,0,0|2,0,0]=4 1369 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)F 1458a_100000211873_100000743420 [0,2,0,0,0,0|2,0,0]=4 1370 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)Br 1458a_100000185746_100000755118 [0,2,0,0,0,0|2,0,0]=4 1371 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)C 1458a_100000185746_100011261388 [0,2,0,0,0,0|2,0,0]=4 1372 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000185746_100000684792 [0,2,0,0,0,0|2,0,0]=4 1373 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)F 1458a_100000185746_100000743420 [0,2,0,0,0,0|2,0,0]=4 1374 B13R1.21 CC(C(=O)CF)c1ccc(cc1)Cl 1458a_100011216001_100015361967 [0,2,0,0,0,0|2,0,0]=4 1375 B13R1.21 CC(C(=O)CF)c1ccc(cc1)F 1458a_100011435297_100015361967 [0,2,0,0,0,0|2,0,0]=4 1376 B13R1.21 CC(C(=O)CF)c1ccc(cc1)O 1458a_100000031422_100015361967 [0,2,0,0,0,0|2,0,0]=4 1377 B13R1.21 CC(C(=O)CO)c1ccc(cc1)Br 1458a_100000210174_100000755118 [0,2,0,0,0,0|1,0,0]=3 1378 B13R1.21 CC(C(=O)CO)c1ccc(cc1)Cl 1458a_100000210174_100000684792 [0,2,0,0,0,0|1,0,0]=3 1379 B13R1.21 CC(C(=O)CO)c1ccc(cc1)F 1458a_100000210174_100000743420 [0,2,0,0,0,0|1,0,0]=3 1380 B13R1.21 CCC(=O)C(C)c1ccc(cc1)Br 1458a_100000210414_100000755118 [0,2,0,0,0,0|2,0,0]=4 1381 B13R1.21 CCC(=O)C(C)c1ccc(cc1)C 1458a_100000210414_100011261388 [0,2,0,0,0,0|2,0,0]=4 1382 B13R1.21 CCC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_100000210202 [0,2,0,0,0,0|2,0,0]=4 1383 B13R1.21 CCC(=O)C(C)c1ccc(cc1)Cl 1458a_100000210414_100000684792 [0,2,0,0,0,0|2,0,0]=4 1384 B13R1.21 CCC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_100000210202 [0,2,0,0,0,0|2,0,0]=4 1385 B13R1.21 CCC(=O)C(C)c1ccc(cc1)F 1458a_100000210414_100000743420 [0,2,0,0,0,0|2,0,0]=4 1386 B13R1.21 CCC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_100000210202 [0,2,0,0,0,0|2,0,0]=4 1387 B13R1.21 CCC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_100000210202 [0,2,0,0,0,0|2,0,0]=4 1388 B13R1.21 CCC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_100000210202 [0,2,0,0,0,0|2,0,0]=4 1389 B13R1.21 CCC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_100000210202 [0,2,0,0,0,0|1,0,0]=3 1390 B13R1.21 CCC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_100000210202 [0,2,0,0,0,0|1,0,0]=3 1391 B13R1.21 CCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210202 [0,2,0,0,0,0|1,0,0]=3 1392 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_100000210202 [0,2,0,0,0,0|1,0,0]=3 1393 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100000210202 [0,2,0,0,0,0|1,0,0]=3 1394 B13R1.21 CN(C(=O)CO)c1ccc(cc1)Br 22a_100000219623_100000210174 [0,2,0,0,0,0|2,0,0]=4 1395 B13R1.21 CN(C(=O)CO)c1ccc(cc1)Cl 22a_100020629279_100000210174 [0,2,0,0,0,0|2,0,0]=4 1396 B13R1.21 CN(C(=O)CO)c1ccc(cc1)F 22a_100000219829_100000210174 [0,2,0,0,0,0|2,0,0]=4 1397 B13R1.21 CN(C(=O)CO)c1ccc(cc1)I 22a_100000743151_100000210174 [0,2,0,0,0,0|2,0,0]=4 1398 B13R1.21 CN(C(=O)CO)c1ccc(cc1)O 22a_100000182112_100000210174 [0,2,0,0,0,0|2,0,0]=4 1399 B13R1.21 CN(C(=O)CO)c1ccc(cc1)O 527a_100000182112_100000210174 [0,2,0,0,0,0|2,0,0]=4 1400 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 11a_106832991635_100000751627 [0,2,0,0,0,0|2,0,0]=4 1401 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 1626a_100102657272_100000751627 [0,2,0,0,0,0|2,0,0]=4 1402 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 240690a_100102657272_100000751627 [0,2,0,0,0,0|2,0,0]=4 1403 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 527a_100102657272_100000751627 [0,2,0,0,0,0|2,0,0]=4 1404 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 11a_106832991635_100011216001 [0,2,0,0,0,0|2,0,0]=4 1405 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 1626a_100102657272_100011216001 [0,2,0,0,0,0|2,0,0]=4 1406 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 240690a_100102657272_100011216001 [0,2,0,0,0,0|2,0,0]=4 1407 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 527a_100102657272_100011216001 [0,2,0,0,0,0|2,0,0]=4 1408 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 11a_106832991635_100011435297 [0,2,0,0,0,0|2,0,0]=4 1409 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 1626a_100102657272_100011435297 [0,2,0,0,0,0|2,0,0]=4 1410 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 240690a_100102657272_100011435297 [0,2,0,0,0,0|2,0,0]=4 1411 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 527a_100102657272_100011435297 [0,2,0,0,0,0|2,0,0]=4 1412 B13R1.21 CNC(=O)C(C)c1ccc(cc1)O 240690a_100102657272_100000031422 [0,2,0,0,0,0|2,0,0]=4 1413 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 11a_106832991635_100012277543 [0,2,0,0,0,0|2,0,0]=4 1414 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 1626a_100102657272_100012277543 [0,2,0,0,0,0|2,0,0]=4 1415 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 240690a_100102657272_100012277543 [0,2,0,0,0,0|2,0,0]=4 1416 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 527a_100102657272_100012277543 [0,2,0,0,0,0|2,0,0]=4 1417 B13R1.21 CNC(=O)C(O)c1ccc(cc1)Br 240690a_100102657272_100000756554 [0,2,0,0,0,0|1,0,0]=3 1418 B13R1.21 CNC(=O)C(O)c1ccc(cc1)F 240690a_100102657272_100000209909 [0,2,0,0,0,0|1,0,0]=3 1419 B13R1.21 CNC(=O)C(O)c1ccc(cc1)O 240690a_100102657272_100011215213 [0,2,0,0,0,0|1,0,0]=3 1420 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100102657272_100009815954 [0,2,0,0,0,0|1,0,0]=3 1421 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100102657272_100009817493 [0,2,0,0,0,0|1,0,0]=3 1422 B13R1.21 COC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_100012339527 [0,2,0,0,0,0|0,0,2]=4 1423 B13R1.21 COC(=O)C(N)c1ccc(cc1)O 271570a_203496583355_100000747369 [0,2,0,0,0,0|1,0,0]=3 1424 B13R1.21 Cc1ccc(cc1)C(C)C(=O)CF 1458a_100000751627_100015361967 [0,2,0,0,0,0|2,0,0]=4 1425 B13R1.21 Cc1ccc(cc1)C(C)C(=O)CO 1458a_100000210174_100011261388 [0,2,0,0,0,0|1,0,0]=3 1426 B13R1.21 Cc1ccc(cc1)N(C)C(=O)CO 22a_100000219977_100000210174 [0,2,0,0,0,0|2,0,0]=4 1427 B13R1.21 Cc1ccc(cc1)[C@@H](O)C(=O)CF 1458a_100009815954_100015361967 [0,2,0,0,0,0|1,0,0]=3 1428 B13R1.21 O=C(CF)C(F)c1ccc(cc1)Cl 1458a_100012277543_100015361967 [0,2,0,0,0,0|2,0,0]=4 1429 B13R1.21 O=C(CF)C(O)c1ccc(cc1)Br 1458a_100000756554_100015361967 [0,2,0,0,0,0|1,0,0]=3 1430 B13R1.21 O=C(CF)C(O)c1ccc(cc1)F 1458a_100000209909_100015361967 [0,2,0,0,0,0|1,0,0]=3 1431 B13R1.21 O=C(CF)C(O)c1ccc(cc1)O 1458a_100011215213_100015361967 [0,2,0,0,0,0|1,0,0]=3 1432 B13R1.21 O=C(CF)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100015361967 [0,2,0,0,0,0|1,0,0]=3 1433 B13R1.36 COc1ccc(cc1)C(C)C(=O)C 1458a_100000753396_200000210301 [0,2,0,0,0,0|2,0,0]=4 1434 B13R1.36 COc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000753396_200025704644 [0,2,0,0,0,0|2,0,0]=4 1435 B13R1.36 COc1ccc(cc1)C(O)C(=O)C 1458a_100011218652_200000210301 [0,2,0,0,0,0|1,0,0]=3 1436 B13R1.36 COc1ccc(cc1)C(O)C(=O)[13CH3] 1458a_100011218652_200025704644 [0,2,0,0,0,0|1,0,0]=3 1437 B13R1.163 CC(=O)C(C)c1ccc(cc1Cl)F 1458a_200012359452_200000210301 [0,2,0,0,0,0|2,0,0]=4 1438 B13R1.163 CC(=O)C(O)c1ccc(cc1F)Br 1458a_100011356516_200000210301 [0,2,0,0,0,0|1,0,0]=3 1439 B13R1.163 CC(=O)C(O)c1ccc(cc1F)F 1458a_100011216397_200000210301 [0,2,0,0,0,0|1,0,0]=3 1440 B13R1.163 CC(C(=O)[13CH3])c1ccc(cc1Cl)F 1458a_200012359452_200025704644 [0,2,0,0,0,0|2,0,0]=4 1441 B13R1.163 [13CH3]C(=O)C(O)c1ccc(cc1F)Br 1458a_100011356516_200025704644 [0,2,0,0,0,0|1,0,0]=3 1442 B13R1.163 [13CH3]C(=O)C(O)c1ccc(cc1F)F 1458a_100011216397_200025704644 [0,2,0,0,0,0|1,0,0]=3 1443 B13R1.510 CC(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200000210301 [0,2,0,0,0,0|1,0,0]=3 1444 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [0,2,0,0,0,0|1,0,0]=3 1445 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200025704644 [0,2,0,0,0,0|1,0,0]=3 1446 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [0,2,0,0,0,0|1,0,0]=3 1447 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)Br 1458a_100000740082_200000210301 [0,2,0,0,0,0|2,0,0]=4 1448 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)C 1458a_100000751694_200000210301 [0,2,0,0,0,0|2,0,0]=4 1449 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)Cl 1458a_100000742901_200000210301 [0,2,0,0,0,0|2,0,0]=4 1450 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)F 1458a_100000751650_200000210301 [0,2,0,0,0,0|2,0,0]=4 1451 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)O 1458a_100000721645_200000210301 [0,2,0,0,0,0|2,0,0]=4 1452 B13R1.522 CC(=O)C(C)(O)c1ccc(cc1)C 1458a_100011434902_200000210301 [0,2,0,0,0,0|1,0,0]=3 1453 B13R1.522 CC(=O)C(C)(O)c1ccc(cc1)Cl 1458a_100000695402_200000210301 [0,2,0,0,0,0|1,0,0]=3 1454 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)Br 1458a_100000740082_200025704644 [0,2,0,0,0,0|2,0,0]=4 1455 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100000742901_200025704644 [0,2,0,0,0,0|2,0,0]=4 1456 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)F 1458a_100000751650_200025704644 [0,2,0,0,0,0|2,0,0]=4 1457 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000721645_200025704644 [0,2,0,0,0,0|2,0,0]=4 1458 B13R1.522 CC(O)(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100000695402_200025704644 [0,2,0,0,0,0|1,0,0]=3 1459 B13R1.522 Cc1ccc(cc1)C(C)(C)C(=O)[13CH3] 1458a_100000751694_200025704644 [0,2,0,0,0,0|2,0,0]=4 1460 B13R1.522 Cc1ccc(cc1)C(C)(O)C(=O)[13CH3] 1458a_100011434902_200025704644 [0,2,0,0,0,0|1,0,0]=3 1461 B13R1.706 CCC(C(=O)C)c1ccc(cc1)Br 1458a_100011934198_200000210301 [0,2,0,0,0,0|2,0,0]=4 1462 B13R1.706 CCC(C(=O)[13CH3])c1ccc(cc1)Br 1458a_100011934198_200025704644 [0,2,0,0,0,0|2,0,0]=4 1463 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200000210301 [0,2,0,0,0,0|1,0,0]=3 1464 B13R1.706 CNC(C(=O)O)c1ccc(cc1)C 269956a_100138412518_200000210301 [0,2,0,0,0,0|1,0,0]=3 1465 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200000210301 [0,2,0,0,0,0|1,0,0]=3 1466 B13R1.706 CNC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200000210301 [0,2,0,0,0,0|1,0,0]=3 1467 B13R1.706 COC(C(=O)C)c1ccc(cc1)Cl 1458a_100012350483_200000210301 [0,2,0,0,0,0|1,0,0]=3 1468 B13R1.706 COC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100012350483_200025704644 [0,2,0,0,0,0|1,0,0]=3 1469 B13R1.706 Cc1ccc(cc1)C(N[13CH3])C(=O)O 269956a_100138412518_200025704644 [0,2,0,0,0,0|1,0,0]=3 1470 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200025704644 [0,2,0,0,0,0|1,0,0]=3 1471 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200025704644 [0,2,0,0,0,0|1,0,0]=3 1472 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200025704644 [0,2,0,0,0,0|1,0,0]=3 1473 B13R1.22 CC(C(=O)CF)c1cccc(c1)Br 1458a_100000722698_100015361967 [0,2,0,0,0,0|2,0,0]=4 1474 B13R1.22 CC(C(=O)CF)c1cccc(c1)Cl 1458a_100000762818_100015361967 [0,2,0,0,0,0|2,0,0]=4 1475 B13R1.22 CC(C(=O)CF)c1cccc(c1)F 1458a_100000762896_100015361967 [0,2,0,0,0,0|2,0,0]=4 1476 B13R1.22 CCC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_100000210202 [0,2,0,0,0,0|2,0,0]=4 1477 B13R1.22 CCC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_100000210202 [0,2,0,0,0,0|2,0,0]=4 1478 B13R1.22 CCC(=O)C(C)c1cccc(c1)F 1458a_100000762896_100000210202 [0,2,0,0,0,0|2,0,0]=4 1479 B13R1.22 CCC(=O)C(O)c1cccc(c1)C 1458a_100011434945_100000210202 [0,2,0,0,0,0|1,0,0]=3 1480 B13R1.22 CCC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_100000210202 [0,2,0,0,0,0|1,0,0]=3 1481 B13R1.22 CCC(=O)C(O)c1cccc(c1)F 1458a_100011434943_100000210202 [0,2,0,0,0,0|1,0,0]=3 1482 B13R1.22 CCC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_100000210202 [0,2,0,0,0,0|2,0,0]=4 1483 B13R1.22 CN(C(=O)CO)c1cccc(c1)Br 22a_100000219648_100000210174 [0,2,0,0,0,0|2,0,0]=4 1484 B13R1.22 CN(C(=O)CO)c1cccc(c1)Br 527a_100000219648_100000210174 [0,2,0,0,0,0|2,0,0]=4 1485 B13R1.22 CN(C(=O)CO)c1cccc(c1)Cl 22a_100000220044_100000210174 [0,2,0,0,0,0|2,0,0]=4 1486 B13R1.22 CN(C(=O)CO)c1cccc(c1)F 22a_100020633736_100000210174 [0,2,0,0,0,0|2,0,0]=4 1487 B13R1.22 CN(C(=O)CO)c1cccc(c1)I 22a_100000221217_100000210174 [0,2,0,0,0,0|2,0,0]=4 1488 B13R1.22 CN(C(=O)CO)c1cccc(c1)O 527a_100000756613_100000210174 [0,2,0,0,0,0|2,0,0]=4 1489 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 11a_106832991635_100000722698 [0,2,0,0,0,0|2,0,0]=4 1490 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 1626a_100102657272_100000722698 [0,2,0,0,0,0|2,0,0]=4 1491 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 240690a_100102657272_100000722698 [0,2,0,0,0,0|2,0,0]=4 1492 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 527a_100102657272_100000722698 [0,2,0,0,0,0|2,0,0]=4 1493 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 11a_106832991635_100000762818 [0,2,0,0,0,0|2,0,0]=4 1494 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 1626a_100102657272_100000762818 [0,2,0,0,0,0|2,0,0]=4 1495 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 240690a_100102657272_100000762818 [0,2,0,0,0,0|2,0,0]=4 1496 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 527a_100102657272_100000762818 [0,2,0,0,0,0|2,0,0]=4 1497 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 11a_106832991635_100000762896 [0,2,0,0,0,0|2,0,0]=4 1498 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 1626a_100102657272_100000762896 [0,2,0,0,0,0|2,0,0]=4 1499 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 240690a_100102657272_100000762896 [0,2,0,0,0,0|2,0,0]=4 1500 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 527a_100102657272_100000762896 [0,2,0,0,0,0|2,0,0]=4 1501 B13R1.22 CNC(=O)C(O)c1cccc(c1)C 240690a_100102657272_100011434945 [0,2,0,0,0,0|1,0,0]=3 1502 B13R1.22 CNC(=O)C(O)c1cccc(c1)Cl 240690a_100102657272_100011216955 [0,2,0,0,0,0|1,0,0]=3 1503 B13R1.22 CNC(=O)C(O)c1cccc(c1)F 240690a_100102657272_100011434943 [0,2,0,0,0,0|1,0,0]=3 1504 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 11a_106832991635_200009911544 [0,2,0,0,0,0|2,0,0]=4 1505 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 1626a_100102657272_200009911544 [0,2,0,0,0,0|2,0,0]=4 1506 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 240690a_100102657272_200009911544 [0,2,0,0,0,0|2,0,0]=4 1507 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 527a_100102657272_200009911544 [0,2,0,0,0,0|2,0,0]=4 1508 B13R1.22 COC(=O)C(=O)c1cccc(c1)O 271570a_203496583355_100000699548 [0,2,0,0,0,0|0,0,2]=4 1509 B13R1.22 COC(=O)C(C)c1cccc(c1)O 271570a_203496583355_100010077029 [0,2,0,0,0,0|1,0,0]=3 1510 B13R1.22 COC(=O)C(N)c1cccc(c1)O 271570a_203496583355_100015207118 [0,2,0,0,0,0|1,0,0]=3 1511 B13R1.22 Cc1cccc(c1)C(O)C(=O)CF 1458a_100011434945_100015361967 [0,2,0,0,0,0|1,0,0]=3 1512 B13R1.22 Cc1cccc(c1)N(C)C(=O)CO 22a_100000219674_100000210174 [0,2,0,0,0,0|2,0,0]=4 1513 B13R1.22 Cc1cccc(c1)[C@@H](C)C(=O)CF 1458a_200009911544_100015361967 [0,2,0,0,0,0|2,0,0]=4 1514 B13R1.22 O=C(CF)C(O)c1cccc(c1)Cl 1458a_100011216955_100015361967 [0,2,0,0,0,0|1,0,0]=3 1515 B13R1.22 O=C(CF)C(O)c1cccc(c1)F 1458a_100011434943_100015361967 [0,2,0,0,0,0|1,0,0]=3 1516 B13R1.47 C#CCC(=O)C(C)c1ccccc1 1458a_100011220946_100000230085 [0,2,0,0,0,0|2,0,0]=4 1517 B13R1.47 C#CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000184674 [0,2,0,0,0,0|2,0,0]=4 1518 B13R1.47 C#CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000184674 [0,2,0,0,0,0|2,0,0]=4 1519 B13R1.47 C#CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000184674 [0,2,0,0,0,0|1,0,0]=3 1520 B13R1.47 C=C(C(=O)CCO)c1ccccc1 1458a_100000065200_100000211926 [0,2,0,0,0,0|1,0,1]=4 1521 B13R1.47 C=CCC(=O)C(C)c1ccccc1 1458a_100000210193_100000230085 [0,2,0,0,0,0|2,0,0]=4 1522 B13R1.47 C=CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210623 [0,2,0,0,0,0|2,0,0]=4 1523 B13R1.47 C=CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210623 [0,2,0,0,0,0|2,0,0]=4 1524 B13R1.47 C=CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210623 [0,2,0,0,0,0|1,0,0]=3 1525 B13R1.47 CC#CC(=O)C(C)c1ccccc1 1458a_100000763181_100000230085 [0,2,0,0,0,0|2,0,0]=4 1526 B13R1.47 CC(C(=O)C=CBr)c1ccccc1 1458a_100016273825_100000230085 [0,2,0,0,0,0|2,0,0]=4 1527 B13R1.47 CC(C(=O)C=CCl)c1ccccc1 1458a_200016279998_100000230085 [0,2,0,0,0,0|2,0,0]=4 1528 B13R1.47 CC(C(=O)C=CI)c1ccccc1 1458a_100016256311_100000230085 [0,2,0,0,0,0|2,0,0]=4 1529 B13R1.47 CC(C(=O)CC#N)c1ccccc1 1458a_100051588842_100000230085 [0,2,0,0,0,0|2,0,0]=4 1530 B13R1.47 CC(C(=O)CCO)c1ccccc1 1458a_100011216618_100000230085 [0,2,0,0,0,0|1,0,0]=3 1531 B13R1.47 CC(C(=O)CCO)c1ccccn1 1458a_100000722050_100000211926 [0,2,0,0,0,0|2,0,0]=4 1532 B13R1.47 CC=CC(=O)C(C)c1ccccc1 1458a_100000210699_100000230085 [0,2,0,0,0,0|2,0,0]=4 1533 B13R1.47 CCCC(=O)C(C)c1ccccc1 1458a_100000211992_100000230085 [0,2,0,0,0,0|2,0,0]=4 1534 B13R1.47 CCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210303 [0,2,0,0,0,0|2,0,0]=4 1535 B13R1.47 CCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210303 [0,2,0,0,0,0|2,0,0]=4 1536 B13R1.47 CCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210303 [0,2,0,0,0,0|1,0,0]=3 1537 B13R1.47 CCNC(=O)C(F)c1ccccc1 11a_100015525214_100000698975 [0,2,0,0,0,0|2,0,0]=4 1538 B13R1.47 CCNC(=O)C(F)c1ccccc1 240690a_100015525214_100000698975 [0,2,0,0,0,0|2,0,0]=4 1539 B13R1.47 CCNC(=O)C(F)c1ccccc1 527a_100015525214_100000698975 [0,2,0,0,0,0|2,0,0]=4 1540 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 11a_100015525214_100000751047 [0,2,0,0,0,0|2,0,0]=4 1541 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 240690a_100015525214_100000751047 [0,2,0,0,0,0|2,0,0]=4 1542 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 527a_100015525214_100000751047 [0,2,0,0,0,0|2,0,0]=4 1543 B13R1.47 CCNC(=O)[C@H](O)c1ccccc1 240690a_100015525214_100000684486 [0,2,0,0,0,0|1,0,0]=3 1544 B13R1.47 CN(C(=O)CCO)c1ccccc1 22a_100000210012_100011216618 [0,2,0,0,0,0|2,0,0]=4 1545 B13R1.47 CNNC(=O)C(F)c1ccccc1 22a_100016993582_100000698975 [0,2,0,0,0,0|2,0,0]=4 1546 B13R1.47 CNNC(=O)[C@@H](C)c1ccccc1 22a_100016993582_100000751047 [0,2,0,0,0,0|2,0,0]=4 1547 B13R1.47 CNNC(=O)[C@H](O)c1ccccc1 22a_100016993582_100000684486 [0,2,0,0,0,0|1,0,0]=3 1548 B13R1.47 COCC(=O)C(C)c1ccccc1 1458a_100000210968_100000230085 [0,2,0,0,0,0|1,0,0]=3 1549 B13R1.47 COCC(=O)N(C)c1ccccc1 11a_100000210012_100000210968 [0,2,0,0,0,0|2,0,0]=4 1550 B13R1.47 COCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210968 [0,2,0,0,0,0|2,0,0]=4 1551 B13R1.47 COCC(=O)N(C)c1ccccc1 22a_100000210012_100000210968 [0,2,0,0,0,0|2,0,0]=4 1552 B13R1.47 COCC(=O)N(C)c1ccccc1 34a_100138415774_100000183487 [0,2,0,0,0,0|2,0,0]=4 1553 B13R1.47 CSCC(=O)C(C)c1ccccc1 1458a_100000184570_100000230085 [0,2,0,0,0,0|1,1,0]=4 1554 B13R1.47 C[C@H](C(=O)CC#N)c1ccccc1 1458a_100000751047_100011214920 [0,2,0,0,0,0|2,0,0]=4 1555 B13R1.47 C[C@H](C(=O)CCF)c1ccccc1 1458a_100000751047_100011217306 [0,2,0,0,0,0|2,0,0]=4 1556 B13R1.47 C[C@H](C(=O)CCO)c1ccccc1 1458a_100000751047_100000211926 [0,2,0,0,0,0|1,0,0]=3 1557 B13R1.47 N#CCC(=O)C(F)c1ccccc1 1458a_100000698975_100011214920 [0,2,0,0,0,0|2,0,0]=4 1558 B13R1.47 N#CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100011214920 [0,2,0,0,0,0|1,0,0]=3 1559 B13R1.47 O=C(CCF)C(F)c1ccccc1 1458a_100000698975_100011217306 [0,2,0,0,0,0|2,0,0]=4 1560 B13R1.47 O=C(CCF)[C@H](O)c1ccccc1 1458a_100000684486_100011217306 [0,2,0,0,0,0|1,0,0]=3 1561 B13R1.47 O=C(CCO)C(F)c1ccccc1 1458a_100000698975_100000211926 [0,2,0,0,0,0|1,0,0]=3 1562 B13R1.47 O=C(CCO)[C@H](O)c1ccccc1 1458a_100000684486_100000211926 [0,2,0,0,0,0|0,0,0]=2 1563 B13R1.86 CN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200000210301 [0,2,0,0,0,0|1,0,1]=4 1564 B13R1.86 [13CH3]N[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200025704644 [0,2,0,0,0,0|1,0,1]=4 1565 B13R1.532 CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000210202 [0,2,0,0,0,0|2,0,0]=4 1566 B13R1.532 CCC(=O)C(CO)c1ccccc1 1458a_100011218805_100000210202 [0,2,0,0,0,0|1,0,0]=3 1567 B13R1.532 CCC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000210202 [0,2,0,0,0,0|1,0,0]=3 1568 B13R1.532 CCC(C(=O)CF)c1ccccc1 1458a_100000211302_100015361967 [0,2,0,0,0,0|2,0,0]=4 1569 B13R1.532 CCC(C(=O)NC)c1ccccc1 11a_106832991635_100000211302 [0,2,0,0,0,0|2,0,0]=4 1570 B13R1.532 CCC(C(=O)NC)c1ccccc1 1626a_100102657272_100000211302 [0,2,0,0,0,0|2,0,0]=4 1571 B13R1.532 CCC(C(=O)NC)c1ccccc1 240690a_100102657272_100000211302 [0,2,0,0,0,0|2,0,0]=4 1572 B13R1.532 CCC(C(=O)NC)c1ccccc1 527a_100102657272_100000211302 [0,2,0,0,0,0|2,0,0]=4 1573 B13R1.532 CCN(C(=O)CO)c1ccccc1 22a_100000210013_100000210174 [0,2,0,0,0,0|2,0,0]=4 1574 B13R1.532 CNC(=O)C(CO)c1ccccc1 240690a_100102657272_100011218805 [0,2,0,0,0,0|1,0,0]=3 1575 B13R1.532 CNC(=O)C(NC)c1ccccc1 2230a_100000741928_200000210301 [0,2,0,0,0,0|2,0,0]=4 1576 B13R1.532 CNC(=O)C(NC)c1ccccc1 34a_100000741928_200000210301 [0,2,0,0,0,0|2,0,0]=4 1577 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 2230a_100000741928_200025704644 [0,2,0,0,0,0|2,0,0]=4 1578 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 34a_100000741928_200025704644 [0,2,0,0,0,0|2,0,0]=4 1579 B13R1.532 CNC(=O)C(OC)c1ccccc1 34a_100012026080_200000210301 [0,2,0,0,0,0|1,0,0]=3 1580 B13R1.532 CNC(=O)C(O[13CH3])c1ccccc1 34a_100012026080_200025704644 [0,2,0,0,0,0|1,0,0]=3 1581 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 11a_106832991635_100000698336 [0,2,0,0,0,0|1,0,0]=3 1582 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 1626a_100102657272_100000698336 [0,2,0,0,0,0|1,0,0]=3 1583 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 240690a_100102657272_100000698336 [0,2,0,0,0,0|1,0,0]=3 1584 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 527a_100102657272_100000698336 [0,2,0,0,0,0|1,0,0]=3 1585 B13R1.532 CNC(C(=O)OC)c1ccccc1 2230a_106832991635_100000754950 [0,2,0,0,0,0|1,0,0]=3 1586 B13R1.532 CNC(C(=O)OC)c1ccccc1 34a_100102657272_100000185205 [0,2,0,0,0,0|1,0,0]=3 1587 B13R1.532 CNC(C(=O)OC)c1ccccc1 7a_106832991635_100000754950 [0,2,0,0,0,0|1,0,0]=3 1588 B13R1.532 COC(=O)C(OC)c1ccccc1 34a_100138415774_100000185205 [0,2,0,0,0,0|0,0,0]=2 1589 B13R1.532 COC(=O)C(SC)c1ccccc1 62a_100000754950_200000210301 [0,2,0,0,0,0|0,1,0]=3 1590 B13R1.532 COC(=O)C(SC)c1ccccc1 62a_200000210301_100000754950 [0,2,0,0,0,0|0,1,0]=3 1591 B13R1.532 COC(=O)C(S[13CH3])c1ccccc1 62a_100000754950_200025704644 [0,2,0,0,0,0|0,1,0]=3 1592 B13R1.532 COC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100000754950 [0,2,0,0,0,0|0,1,0]=3 1593 B13R1.532 COC(=O)[C@H](OC)c1ccccc1 34a_100009815907_200000210301 [0,2,0,0,0,0|0,0,0]=2 1594 B13R1.532 COC(=O)[C@H](O[13CH3])c1ccccc1 34a_100009815907_200025704644 [0,2,0,0,0,0|0,0,0]=2 1595 B13R1.532 COC(C(=O)NN)c1ccccc1 34a_100011203043_200000210301 [0,2,0,0,0,0|1,0,0]=3 1596 B13R1.532 CO[C@@H](C(=O)CF)c1ccccc1 1458a_100000698336_100015361967 [0,2,0,0,0,0|1,0,0]=3 1597 B13R1.532 O=C(CF)C(CO)c1ccccc1 1458a_100011218805_100015361967 [0,2,0,0,0,0|1,0,0]=3 1598 B13R1.532 [13CH3]OC(C(=O)NN)c1ccccc1 34a_100011203043_200025704644 [0,2,0,0,0,0|1,0,0]=3 1599 B13R1.696 C#CC(=O)C(C)c1ccccc1Cl 1458a_100000211873_100000181259 [0,2,0,0,0,0|2,0,0]=4 1600 B13R1.696 C#CC(=O)C(C)c1ccccc1F 1458a_100000211873_200000741388 [0,2,0,0,0,0|2,0,0]=4 1601 B13R1.696 C=CC(=O)C(C)c1ccccc1Cl 1458a_100000185746_100000181259 [0,2,0,0,0,0|2,0,0]=4 1602 B13R1.696 C=CC(=O)C(C)c1ccccc1F 1458a_100000185746_200000741388 [0,2,0,0,0,0|2,0,0]=4 1603 B13R1.696 CC(C(=O)CF)c1ccccc1Br 1458a_100012359601_100015361967 [0,2,0,0,0,0|2,0,0]=4 1604 B13R1.696 CC(C(=O)CF)c1ccccc1Cl 1458a_100011667492_100015361967 [0,2,0,0,0,0|2,0,0]=4 1605 B13R1.696 CC(C(=O)CO)c1ccccc1Cl 1458a_100000210174_100000181259 [0,2,0,0,0,0|1,0,0]=3 1606 B13R1.696 CC(C(=O)CO)c1ccccc1F 1458a_100000210174_200000741388 [0,2,0,0,0,0|1,0,0]=3 1607 B13R1.696 CCC(=O)C(C)c1ccccc1Br 1458a_100012359601_100000210202 [0,2,0,0,0,0|2,0,0]=4 1608 B13R1.696 CCC(=O)C(C)c1ccccc1Cl 1458a_100000210414_100000181259 [0,2,0,0,0,0|2,0,0]=4 1609 B13R1.696 CCC(=O)C(C)c1ccccc1Cl 1458a_100011667492_100000210202 [0,2,0,0,0,0|2,0,0]=4 1610 B13R1.696 CCC(=O)C(C)c1ccccc1F 1458a_100000210414_200000741388 [0,2,0,0,0,0|2,0,0]=4 1611 B13R1.696 CCC(=O)C(O)c1ccccc1Br 1458a_200011356456_100000210202 [0,2,0,0,0,0|1,0,0]=3 1612 B13R1.696 CCC(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000210202 [0,2,0,0,0,0|1,0,0]=3 1613 B13R1.696 CCC(=O)C(O)c1ccccc1F 1458a_100011219519_100000210202 [0,2,0,0,0,0|1,0,0]=3 1614 B13R1.696 CN(C(=O)CO)c1ccccc1F 22a_100000220357_100000210174 [0,2,0,0,0,0|2,0,0]=4 1615 B13R1.696 CN(C(=O)CO)c1ccccc1O 22a_100000033821_100000210174 [0,2,0,0,0,0|2,0,0]=4 1616 B13R1.696 CN(C(=O)CO)c1ccccc1O 527a_100000033821_100000210174 [0,2,0,0,0,0|2,0,0]=4 1617 B13R1.696 CNC(=O)C(C)c1ccccc1Br 11a_106832991635_100012359601 [0,2,0,0,0,0|2,0,0]=4 1618 B13R1.696 CNC(=O)C(C)c1ccccc1Br 1626a_100102657272_100012359601 [0,2,0,0,0,0|2,0,0]=4 1619 B13R1.696 CNC(=O)C(C)c1ccccc1Br 240690a_100102657272_100012359601 [0,2,0,0,0,0|2,0,0]=4 1620 B13R1.696 CNC(=O)C(C)c1ccccc1Br 527a_100102657272_100012359601 [0,2,0,0,0,0|2,0,0]=4 1621 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 11a_106832991635_100011667492 [0,2,0,0,0,0|2,0,0]=4 1622 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 1626a_100102657272_100011667492 [0,2,0,0,0,0|2,0,0]=4 1623 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 240690a_100102657272_100011667492 [0,2,0,0,0,0|2,0,0]=4 1624 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 527a_100102657272_100011667492 [0,2,0,0,0,0|2,0,0]=4 1625 B13R1.696 CNC(=O)C(O)c1ccccc1Br 240690a_100102657272_200011356456 [0,2,0,0,0,0|1,0,0]=3 1626 B13R1.696 CNC(=O)C(O)c1ccccc1Cl 240690a_100102657272_100011217820 [0,2,0,0,0,0|1,0,0]=3 1627 B13R1.696 CNC(=O)C(O)c1ccccc1F 240690a_100102657272_100011219519 [0,2,0,0,0,0|1,0,0]=3 1628 B13R1.696 COC(=O)C(=O)c1ccccc1O 271570a_203496583355_200010133017 [0,2,0,0,0,0|0,0,2]=4 1629 B13R1.696 COC(=O)C(O)c1ccccc1O 271570a_203496583355_200011625927 [0,2,0,0,0,0|0,0,0]=2 1630 B13R1.696 Cc1ccccc1N(C)C(=O)CO 22a_100000219699_100000210174 [0,2,0,0,0,0|2,0,0]=4 1631 B13R1.696 O=C(CF)C(O)c1ccccc1Br 1458a_200011356456_100015361967 [0,2,0,0,0,0|1,0,0]=3 1632 B13R1.696 O=C(CF)C(O)c1ccccc1Cl 1458a_100011217820_100015361967 [0,2,0,0,0,0|1,0,0]=3 1633 B13R1.696 O=C(CF)C(O)c1ccccc1F 1458a_100011219519_100015361967 [0,2,0,0,0,0|1,0,0]=3 1634 B13R1.708 C#CC(=O)C(C)(C)c1ccccc1 1458a_100000211873_100000034625 [0,2,0,0,0,0|2,0,0]=4 1635 B13R1.708 C#CC(=O)C(F)(F)c1ccccc1 1458a_100000211873_100000036403 [0,2,0,0,0,0|2,0,0]=4 1636 B13R1.708 C=CC(=O)C(C)(C)c1ccccc1 1458a_100000185746_100000034625 [0,2,0,0,0,0|2,0,0]=4 1637 B13R1.708 C=CC(=O)C(F)(F)c1ccccc1 1458a_100000185746_100000036403 [0,2,0,0,0,0|2,0,0]=4 1638 B13R1.708 CC(C)(C(=O)CF)c1ccccc1 1458a_100000211857_100015361967 [0,2,0,0,0,0|2,0,0]=4 1639 B13R1.708 CC(C)(C(=O)CO)c1ccccc1 1458a_100000210174_100000034625 [0,2,0,0,0,0|1,0,0]=3 1640 B13R1.708 CCC(=O)C(C)(C)c1ccccc1 1458a_100000210414_100000034625 [0,2,0,0,0,0|2,0,0]=4 1641 B13R1.708 CCC(=O)C(C)(C)c1ccccc1 1458a_100000211857_100000210202 [0,2,0,0,0,0|2,0,0]=4 1642 B13R1.708 CCC(=O)C(F)(F)c1ccccc1 1458a_100000210414_100000036403 [0,2,0,0,0,0|2,0,0]=4 1643 B13R1.708 CCC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_100000210202 [0,2,0,0,0,0|1,0,0]=3 1644 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 11a_106832991635_100000211857 [0,2,0,0,0,0|2,0,0]=4 1645 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 1626a_100102657272_100000211857 [0,2,0,0,0,0|2,0,0]=4 1646 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 240690a_100102657272_100000211857 [0,2,0,0,0,0|2,0,0]=4 1647 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 527a_100102657272_100000211857 [0,2,0,0,0,0|2,0,0]=4 1648 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 11a_106832991635_100000182030 [0,2,0,0,0,0|2,0,0]=4 1649 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 1626a_100102657272_100000182030 [0,2,0,0,0,0|2,0,0]=4 1650 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 240690a_100102657272_100000182030 [0,2,0,0,0,0|2,0,0]=4 1651 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 527a_100102657272_100000182030 [0,2,0,0,0,0|2,0,0]=4 1652 B13R1.708 CNC(=O)[C@](C)(O)c1ccccc1 240690a_100102657272_100000753667 [0,2,0,0,0,0|1,0,0]=3 1653 B13R1.708 C[C@](O)(C(=O)CF)c1ccccc1 1458a_100000753667_100015361967 [0,2,0,0,0,0|1,0,0]=3 1654 B13R1.708 O=C(CO)C(F)(F)c1ccccc1 1458a_100000210174_100000036403 [0,2,0,0,0,0|1,0,0]=3 1655 B13R1.89 COc1ccccc1C(C)C(=O)C 1458a_100011435281_200000210301 [0,2,0,0,0,0|2,0,0]=4 1656 B13R1.89 COc1ccccc1C(C)C(=O)[13CH3] 1458a_100011435281_200025704644 [0,2,0,0,0,0|2,0,0]=4 1657 B13R1.720 CCC(C(=O)C)c1ccccc1Cl 1458a_100011667493_200000210301 [0,2,0,0,0,0|2,0,0]=4 1658 B13R1.720 CCC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667493_200025704644 [0,2,0,0,0,0|2,0,0]=4 1659 B13R1.720 CNC(C(=O)O)c1ccccc1Br 269956a_100000744630_200000210301 [0,2,0,0,0,0|1,0,0]=3 1660 B13R1.720 CNC(C(=O)O)c1ccccc1C 269956a_100011223803_200000210301 [0,2,0,0,0,0|1,0,0]=3 1661 B13R1.720 CNC(C(=O)O)c1ccccc1F 269956a_100138411467_200000210301 [0,2,0,0,0,0|1,0,0]=3 1662 B13R1.720 CN[C@H](C(=O)O)c1ccccc1Cl 269956a_100009815989_200000210301 [0,2,0,0,0,0|1,0,0]=3 1663 B13R1.720 COC(C(=O)C)c1ccccc1C 1458a_100012277922_200000210301 [0,2,0,0,0,0|1,0,0]=3 1664 B13R1.720 COC(C(=O)C)c1ccccc1F 1458a_100012277919_200000210301 [0,2,0,0,0,0|1,0,0]=3 1665 B13R1.720 COC(C(=O)[13CH3])c1ccccc1C 1458a_100012277922_200025704644 [0,2,0,0,0,0|1,0,0]=3 1666 B13R1.720 COC(C(=O)[13CH3])c1ccccc1F 1458a_100012277919_200025704644 [0,2,0,0,0,0|1,0,0]=3 1667 B13R1.720 Cc1ccccc1C(N[13CH3])C(=O)O 269956a_100011223803_200025704644 [0,2,0,0,0,0|1,0,0]=3 1668 B13R1.720 [13CH3]NC(C(=O)O)c1ccccc1Br 269956a_100000744630_200025704644 [0,2,0,0,0,0|1,0,0]=3 1669 B13R1.720 [13CH3]NC(C(=O)O)c1ccccc1F 269956a_100138411467_200025704644 [0,2,0,0,0,0|1,0,0]=3 1670 B13R1.720 [13CH3]N[C@H](C(=O)O)c1ccccc1Cl 269956a_100009815989_200025704644 [0,2,0,0,0,0|1,0,0]=3 1671 B13R1.897 CC(=O)C(O)c1cc(ccc1C)C 1458a_100011497465_200000210301 [0,2,0,0,0,0|1,0,0]=3 1672 B13R1.897 CC(=O)C(O)c1cc(ccc1F)F 1458a_200011216140_200000210301 [0,2,0,0,0,0|1,0,0]=3 1673 B13R1.897 Cc1ccc(c(c1)C(O)C(=O)[13CH3])C 1458a_100011497465_200025704644 [0,2,0,0,0,0|1,0,0]=3 1674 B13R1.897 [13CH3]C(=O)C(O)c1cc(ccc1F)F 1458a_200011216140_200025704644 [0,2,0,0,0,0|1,0,0]=3 1675 B13R1.3768 CC(=O)C(C)c1cccc(c1C)C 1458a_100000070787_100012183177 [0,2,0,0,0,0|2,0,0]=4 1676 B13R1.3768 CC(=O)C(O)c1cccc(c1F)F 1458a_200011215923_200000210301 [0,2,0,0,0,0|1,0,0]=3 1677 B13R1.3768 [13CH3]C(=O)C(O)c1cccc(c1F)F 1458a_200011215923_200025704644 [0,2,0,0,0,0|1,0,0]=3 1678 B13R1.3789 CC(=O)C(O)c1c(cccc1F)F 1458a_200011216624_200000210301 [0,2,0,0,0,0|1,0,0]=3 1679 B13R1.3789 [13CH3]C(=O)C(O)c1c(cccc1F)F 1458a_200011216624_200025704644 [0,2,0,0,0,0|1,0,0]=3 1680 B13R1.3802 CC(=O)C(C)(C)c1ccccc1F 1458a_100000748980_200000210301 [0,2,0,0,0,0|2,0,0]=4 1681 B13R1.3802 CC(=O)C(F)(F)c1ccccc1F 1458a_100000070787_100000070671 [0,2,0,0,0,0|2,0,0]=4 1682 B13R1.3802 CC(C)(C(=O)[13CH3])c1ccccc1F 1458a_100000748980_200025704644 [0,2,0,0,0,0|2,0,0]=4 1683 B13R1.716 CNC(C(=O)O)c1cccc(c1)Br 269956a_100025717458_200000210301 [0,2,0,0,0,0|1,0,0]=3 1684 B13R1.716 CNC(C(=O)O)c1cccc(c1)C 269956a_100015207286_200000210301 [0,2,0,0,0,0|1,0,0]=3 1685 B13R1.716 CNC(C(=O)O)c1cccc(c1)Cl 269956a_100000752362_200000210301 [0,2,0,0,0,0|1,0,0]=3 1686 B13R1.716 CNC(C(=O)O)c1cccc(c1)F 269956a_100000752392_200000210301 [0,2,0,0,0,0|1,0,0]=3 1687 B13R1.716 COC(C(=O)C)c1cccc(c1)Cl 1458a_100012350482_200000210301 [0,2,0,0,0,0|1,0,0]=3 1688 B13R1.716 COC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100012350482_200025704644 [0,2,0,0,0,0|1,0,0]=3 1689 B13R1.716 Cc1cccc(c1)C(N[13CH3])C(=O)O 269956a_100015207286_200025704644 [0,2,0,0,0,0|1,0,0]=3 1690 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)Br 269956a_100025717458_200025704644 [0,2,0,0,0,0|1,0,0]=3 1691 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)Cl 269956a_100000752362_200025704644 [0,2,0,0,0,0|1,0,0]=3 1692 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)F 269956a_100000752392_200025704644 [0,2,0,0,0,0|1,0,0]=3 1693 B13R1.3423 CC(=O)C(O)c1cc(cc(c1)F)F 1458a_100011218751_200000210301 [0,2,0,0,0,0|1,0,0]=3 1694 B13R1.3423 [13CH3]C(=O)C(O)c1cc(cc(c1)F)F 1458a_100011218751_200025704644 [0,2,0,0,0,0|1,0,0]=3 1695 B13R1.3493 CC(=O)C(C)(C)c1cccc(c1)Br 1458a_100000749669_200000210301 [0,2,0,0,0,0|2,0,0]=4 1696 B13R1.3493 CC(=O)C(C)(C)c1cccc(c1)Cl 1458a_100000758063_200000210301 [0,2,0,0,0,0|2,0,0]=4 1697 B13R1.3493 CC(C)(C(=O)N)c1cccc(c1)O 271570a_203496583355_200009815690 [0,2,0,0,0,0|2,0,0]=4 1698 B13R1.3493 CC(C)(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000749669_200025704644 [0,2,0,0,0,0|2,0,0]=4 1699 B13R1.3493 CC(C)(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000758063_200025704644 [0,2,0,0,0,0|2,0,0]=4 1700 B13R1.3085 CCC(O)(C(=O)C)c1ccccc1 1458a_100011434905_200000210301 [0,2,0,0,0,0|1,0,0]=3 1701 B13R1.3085 CCC(O)(C(=O)[13CH3])c1ccccc1 1458a_100011434905_200025704644 [0,2,0,0,0,0|1,0,0]=3 1702 B13R1.405 C=C(C)C(OCC)c1ccccc1 34a_200011216824_100000210202 [0,2,0,0,0,0|2,0,0]=4 1703 B13R1.405 C=C(C)C(OCC)c1ccccc1 7a_200011216824_100000210202 [0,2,0,0,0,0|2,0,0]=4 1704 B13R1.405 C=C(C)C(OCF)c1ccccc1 34a_200011216824_100015361967 [0,2,0,0,0,0|2,0,0]=4 1705 B13R1.405 C=C(C)C(OCF)c1ccccc1 7a_200011216824_100015361967 [0,2,0,0,0,0|2,0,0]=4 1706 B13R1.405 CC(=O)C(CCCl)c1ccccc1 1458a_100000070787_200010132975 [0,2,0,0,0,0|2,0,0]=4 1707 B13R1.405 CC(=O)C(SCF)c1ccccc1 62a_100009888967_100015361967 [0,2,0,0,0,0|1,1,0]=4 1708 B13R1.405 CC(=O)C(SCF)c1ccccc1 62a_100015361967_100009888967 [0,2,0,0,0,0|1,1,0]=4 1709 B13R1.405 CC(=O)N(CCO)c1ccccc1 22a_100000211345_100000070787 [0,2,0,0,0,0|2,0,0]=4 1710 B13R1.405 CCNC(C(=O)C)c1ccccc1 2230a_100015525214_100009888967 [0,2,0,0,0,0|2,0,0]=4 1711 B13R1.405 CCNC(C(=O)N)c1ccccc1 2230a_100015525214_100000188848 [0,2,0,0,0,0|2,0,0]=4 1712 B13R1.405 CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210202 [0,2,0,0,0,0|1,0,0]=3 1713 B13R1.405 CCNC(C(=O)O)c1ccccn1 269956a_200016167988_100000210202 [0,2,0,0,0,0|2,0,0]=4 1714 B13R1.405 CCN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000210202 [0,2,0,0,0,0|2,0,0]=4 1715 B13R1.405 CCOC(C(=O)N)c1ccccc1 34a_100011200849_100000210202 [0,2,0,0,0,0|1,0,0]=3 1716 B13R1.405 CCOC(C(=O)N)c1ccccc1 7a_100011200849_100000210202 [0,2,0,0,0,0|1,0,0]=3 1717 B13R1.405 CCSC(C(=O)C)c1ccccc1 62a_100000210202_100009888967 [0,2,0,0,0,0|1,1,0]=4 1718 B13R1.405 CCSC(C(=O)C)c1ccccc1 62a_100009888967_100000210202 [0,2,0,0,0,0|1,1,0]=4 1719 B13R1.405 CCSC(C(=O)N)c1ccccc1 62a_100000188848_100000210202 [0,2,0,0,0,0|1,1,0]=4 1720 B13R1.405 CCSC(C(=O)N)c1ccccc1 62a_100000210202_100000188848 [0,2,0,0,0,0|1,1,0]=4 1721 B13R1.405 CNCC(C(=O)O)c1ccccc1 269956a_100000722792_200000210301 [0,2,0,0,0,0|1,0,0]=3 1722 B13R1.405 NC(=O)C(OCF)c1ccccc1 34a_100011200849_100015361967 [0,2,0,0,0,0|1,0,0]=3 1723 B13R1.405 NC(=O)C(OCF)c1ccccc1 7a_100011200849_100015361967 [0,2,0,0,0,0|1,0,0]=3 1724 B13R1.405 NC(=O)C(SCF)c1ccccc1 62a_100000188848_100015361967 [0,2,0,0,0,0|1,1,0]=4 1725 B13R1.405 NC(=O)C(SCF)c1ccccc1 62a_100015361967_100000188848 [0,2,0,0,0,0|1,1,0]=4 1726 B13R1.405 O=C(O)C(NCF)c1ccccc1 269956a_100000230147_100015361967 [0,2,0,0,0,0|1,0,0]=3 1727 B13R1.405 O=C(O)C(NCF)c1ccccn1 269956a_200016167988_100015361967 [0,2,0,0,0,0|2,0,0]=4 1728 B13R1.405 [13CH3]NCC(C(=O)O)c1ccccc1 269956a_100000722792_200025704644 [0,2,0,0,0,0|1,0,0]=3 1729 B13R1.1111 CC(=O)C(C(=O)C)c1ccccc1 1458a_100000070787_100009888967 [0,2,0,0,0,0|1,0,1]=4 1730 B13R1.1111 CC(=O)C(C(=O)N)c1ccccc1 1458a_100000070787_100000188848 [0,2,0,0,0,0|1,0,1]=4 1731 B13R1.1111 CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_200000210301 [0,2,0,0,0,0|2,0,0]=4 1732 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 1458a_100000743987_200000210301 [0,2,0,0,0,0|2,0,0]=4 1733 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 2230a_100102631434_100009888967 [0,2,0,0,0,0|2,0,0]=4 1734 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 269982a_100102631434_100009888967 [0,2,0,0,0,0|2,0,0]=4 1735 B13R1.1111 CC(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000764467_200025704644 [0,2,0,0,0,0|2,0,0]=4 1736 B13R1.1111 CN(C)C(C(=O)N)c1ccccc1 2230a_100102631434_100000188848 [0,2,0,0,0,0|2,0,0]=4 1737 B13R1.1111 CN(C)C(C(=O)N)c1ccccc1 269982a_100102631434_100000188848 [0,2,0,0,0,0|2,0,0]=4 1738 B13R1.1111 CN(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000743987_200025704644 [0,2,0,0,0,0|2,0,0]=4 1739 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,1,0,0|0,0,1]=3 1740 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [1,0,0,1,0,0|1,0,1]=4 1741 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,1,0,0|0,1,1]=4 1742 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,1,0,0|1,0,1]=4 1743 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,1,0,0|0,0,2]=4 1744 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,1,0,0|0,1,1]=4 1745 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,1,0,0|2,0,0]=4 1746 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [1,0,0,1,0,0|1,1,0]=4 1747 B13R2.27 O=C1CCC1Nc2ccccc2 34a_100000106764_100009892977 [0,0,0,1,0,1|2,0,0]=4 1748 B13R2.27 O=C1CCC1Oc2ccccc2 34a_100000210340_100009892977 [0,0,0,1,0,1|2,0,0]=4 1749 B13R2.27 O=C1CCC1Oc2ccccc2 7a_100000210340_100009892977 [0,0,0,1,0,1|2,0,0]=4 1750 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100000719477_100009892977 [0,0,0,1,0,1|2,0,0]=4 1751 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100009892977_100000041952 [0,0,0,1,0,1|2,0,0]=4 1752 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,0,0,1,0,1|0,0,1]=3 1753 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [0,0,0,1,0,1|1,0,1]=4 1754 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [0,0,0,1,0,1|1,0,1]=4 1755 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [0,0,0,1,0,1|1,0,1]=4 1756 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [0,0,0,1,0,1|2,0,0]=4 1757 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [0,0,0,1,0,1|2,0,0]=4 1758 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [0,0,0,1,0,1|2,0,0]=4 1759 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [0,0,0,1,0,1|2,0,0]=4 1760 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,0,0,1,0,1|1,0,0]=3 1761 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [0,0,0,1,0,1|1,1,0]=4 1762 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [0,0,0,1,0,1|2,0,0]=4 1763 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,0,0,1,0,1|1,0,0]=3 1764 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [0,0,0,1,0,1|1,1,0]=4 1765 B13R2.10 Oc1coc(n1)c2ccccc2 271570a_203496583355_100010163736 [0,0,0,1,0,1|1,0,1]=4 1766 B13R2.10 Oc1noc(n1)c2ccccc2 271570a_203496583355_200000701163 [0,0,0,1,0,1|1,0,1]=4 1767 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [0,0,0,1,0,1|1,0,1]=4 1768 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [0,0,0,1,0,1|1,0,1]=4 1769 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [0,0,0,1,0,1|1,0,1]=4 1770 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,1,0,1,0,0|2,0,0]=4 1771 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,1,0,1,0,0|2,0,0]=4 1772 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [0,1,0,1,0,0|1,0,1]=4 1773 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [0,1,0,1,0,0|1,0,1]=4 1774 B13R2.32 Oc1nnc2ccccc2c1O 271570a_203496583355_100000688347 [0,1,0,1,0,0|1,0,1]=4 1775 B13R2.45 COC1Cc2ccccc2C1O 34a_100138415774_100000211646 [0,1,0,1,0,0|1,0,1]=4 1776 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,1,0,1,0,0|0,1,1]=4 1777 B13R2.15272 CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210202 [0,1,0,1,0,0|2,0,0]=4 1778 B13R2.15272 CNC(=O)C1Cc2c1cccc2 11a_106832991635_200000238571 [0,1,0,1,0,0|2,0,0]=4 1779 B13R2.15272 CNC(=O)C1Cc2c1cccc2 1626a_100102657272_200000238571 [0,1,0,1,0,0|2,0,0]=4 1780 B13R2.15272 CNC(=O)C1Cc2c1cccc2 240690a_100102657272_200000238571 [0,1,0,1,0,0|2,0,0]=4 1781 B13R2.15272 CNC(=O)C1Cc2c1cccc2 527a_100102657272_200000238571 [0,1,0,1,0,0|2,0,0]=4 1782 B13R2.15272 O=C(CF)C1Cc2c1cccc2 1458a_200000238571_100015361967 [0,1,0,1,0,0|2,0,0]=4 1783 B13R2.72 CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_200000210301 [0,1,0,1,0,0|2,0,0]=4 1784 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,1,0,1,0,0|2,0,0]=4 1785 B13R2.72 [13CH3]C(=O)C1C=Cc2c1cccc2 1458a_200009832160_200025704644 [0,1,0,1,0,0|2,0,0]=4 1786 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,1,0,1,0,0|2,0,0]=4 1787 B13R2.3028 CC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_100010251565 [0,1,0,1,0,0|2,0,0]=4 1788 B13R2.439 CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_200000210301 [0,1,0,1,0,0|2,0,0]=4 1789 B13R2.439 [13CH3]C(=O)C1(CC1)c2ccccc2 1458a_100000211650_200025704644 [0,1,0,1,0,0|2,0,0]=4 1790 B13R2.135 CSC1C(=O)Nc2c1cccc2 62a_200000210301_200009996675 [0,1,0,1,0,0|1,1,0]=4 1791 B13R2.135 [13CH3]SC1C(=O)Nc2c1cccc2 62a_200025704644_200009996675 [0,1,0,1,0,0|1,1,0]=4 1792 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,0,0,0,1,0|2,0,0]=4 1793 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,0,0,0,1,0|2,0,0]=4 1794 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,0,0,0,1,0|2,0,0]=4 1795 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [1,0,0,0,1,0|2,0,0]=4 1796 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [1,0,0,0,1,0|2,0,0]=4 1797 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [1,0,0,0,1,0|2,0,0]=4 1798 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [1,0,0,0,1,0|2,0,0]=4 1799 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,0,0,0,1,0|2,0,0]=4 1800 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,0,0,0,1,0|2,0,0]=4 1801 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,0,0,0,1,0|2,0,0]=4 1802 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [1,0,0,0,1,0|2,0,0]=4 1803 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [1,0,0,0,1,0|2,0,0]=4 1804 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [1,0,0,0,1,0|2,0,0]=4 1805 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [1,0,0,0,0,1|2,0,0]=4 1806 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [1,0,0,0,0,1|2,0,0]=4 1807 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [1,0,0,0,0,1|2,0,0]=4 1808 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [1,0,0,0,0,1|2,0,0]=4 1809 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [1,0,0,0,0,1|2,0,0]=4 1810 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [1,0,0,0,0,1|2,0,0]=4 1811 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [1,0,0,0,0,1|2,0,0]=4 1812 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [1,0,0,0,0,1|2,0,0]=4 1813 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [1,0,0,0,0,1|2,0,0]=4 1814 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [1,0,0,0,0,1|2,0,0]=4 1815 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [1,0,0,0,0,1|1,0,1]=4 1816 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,0,0,0,1|1,0,1]=4 1817 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,0,0,0,1|1,0,0]=3 1818 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,0,0,0,1|1,0,0]=3 1819 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [1,0,0,0,0,1|2,0,0]=4 1820 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [1,0,0,0,0,1|2,0,0]=4 1821 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [1,0,0,0,0,1|2,0,0]=4 1822 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [1,0,0,0,0,1|2,0,0]=4 1823 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [1,0,0,0,0,1|2,0,0]=4 1824 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [1,0,0,0,0,1|2,0,0]=4 1825 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,0,0,0,0,1|1,0,0]=3 1826 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [1,0,0,0,0,1|2,0,0]=4 1827 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [1,0,0,0,0,1|2,0,0]=4 1828 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,0,0,0,0,1|1,0,0]=3 1829 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [1,0,0,0,0,1|2,0,0]=4 1830 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [1,0,0,0,0,1|2,0,0]=4 1831 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,0,0,0,0,1|1,0,0]=3 1832 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,0,0,0,0,1|1,0,0]=3 1833 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,0,0,0,0,1|1,0,0]=3 1834 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,0,0,0,0,1|1,0,0]=3 1835 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [1,0,0,0,0,1|2,0,0]=4 1836 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [1,0,0,0,0,1|2,0,0]=4 1837 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [1,0,0,0,0,1|2,0,0]=4 1838 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [1,0,0,0,0,1|2,0,0]=4 1839 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [1,0,0,0,0,1|2,0,0]=4 1840 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [1,0,0,0,0,1|2,0,0]=4 1841 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [1,0,0,0,0,1|2,0,0]=4 1842 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [1,0,0,0,0,1|2,0,0]=4 1843 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [1,0,0,0,0,1|2,0,0]=4 1844 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [1,0,0,0,0,1|2,0,0]=4 1845 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [1,0,0,0,0,1|2,0,0]=4 1846 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [1,0,0,0,0,1|2,0,0]=4 1847 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,0,0,0,0,1|1,0,1]=4 1848 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,0,0,0,0,1|1,0,1]=4 1849 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,0,0,0,0,1|1,0,1]=4 1850 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,0,0,0,0,1|1,0,1]=4 1851 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,0,0,0,0,1|1,0,1]=4 1852 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,0,0,0,0,1|1,0,1]=4 1853 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,0,0,0,0,1|1,0,1]=4 1854 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,0,0,0,0,1|1,0,1]=4 1855 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,0,0,0,0,1|1,0,1]=4 1856 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,0,0,0,0,1|1,0,1]=4 1857 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,0,0,0,1|1,0,0]=3 1858 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,0,0,0,0,1|1,0,0]=3 1859 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,0,0,0,0,1|1,0,0]=3 1860 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [1,0,0,0,0,1|2,0,0]=4 1861 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [1,0,0,0,0,1|2,0,0]=4 1862 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [1,0,0,0,0,1|2,0,0]=4 1863 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,0,0,0,0,1|1,0,0]=3 1864 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,0,0,0,0,1|1,0,0]=3 1865 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [1,0,0,0,0,1|2,0,0]=4 1866 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [1,0,0,0,0,1|2,0,0]=4 1867 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [1,0,0,0,0,1|2,0,0]=4 1868 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [1,0,0,0,0,1|2,0,0]=4 1869 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [1,0,0,0,0,1|2,0,0]=4 1870 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [1,0,0,0,0,1|2,0,0]=4 1871 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [1,0,0,0,0,1|0,0,1]=3 1872 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [1,0,0,0,0,1|0,0,1]=3 1873 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [1,0,0,0,0,1|1,0,1]=4 1874 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [1,0,0,0,0,1|1,0,1]=4 1875 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [1,0,0,0,0,1|0,0,1]=3 1876 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [1,0,0,0,0,1|0,0,1]=3 1877 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [1,0,0,0,0,1|1,0,1]=4 1878 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [1,0,0,0,0,1|1,0,1]=4 1879 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [1,0,0,0,0,1|1,0,1]=4 1880 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [1,0,0,0,0,1|1,0,1]=4 1881 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [1,0,0,0,0,1|1,0,1]=4 1882 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [1,0,0,0,0,1|1,0,1]=4 1883 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [1,0,0,0,0,1|1,0,1]=4 1884 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [1,0,0,0,0,1|1,0,1]=4 1885 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [1,0,0,0,0,1|1,0,1]=4 1886 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [1,0,0,0,0,1|1,0,1]=4 1887 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,0,0,0,1|1,0,1]=4 1888 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,0,0,0,1|1,0,0]=3 1889 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [1,0,0,0,0,1|2,0,0]=4 1890 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [1,0,0,0,0,1|2,0,0]=4 1891 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [1,0,0,0,0,1|2,0,0]=4 1892 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,0,0,0,0,1|1,0,0]=3 1893 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [1,0,0,0,0,1|2,0,0]=4 1894 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [1,0,0,0,0,1|2,0,0]=4 1895 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,0,0,0,0,1|1,0,0]=3 1896 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [1,0,0,0,0,1|2,0,0]=4 1897 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [1,0,0,0,0,1|2,0,0]=4 1898 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100000719477_100009818208 [0,0,0,0,0,2|2,0,0]=4 1899 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100009818208_100000041952 [0,0,0,0,0,2|2,0,0]=4 1900 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,0,0,0,0,2|2,0,0]=4 1901 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,0,0,0,0,2|2,0,0]=4 1902 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,0,0,0,0,2|2,0,0]=4 1903 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,0,0,0,0,2|2,0,0]=4 1904 B13R1.351 CC(=O)C(C)NCc1ccccc1 2230a_100015324214_100009814033 [0,0,0,0,0,2|2,0,0]=4 1905 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [0,0,0,0,0,2|2,0,0]=4 1906 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [0,0,0,0,0,2|2,0,0]=4 1907 B13R1.351 CC(=O)C(C)SCc1ccccc1 1458a_100000149570_200000210301 [0,0,0,0,0,2|2,0,0]=4 1908 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100000211182_100009814033 [0,0,0,0,0,2|2,0,0]=4 1909 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100009814033_100015291786 [0,0,0,0,0,2|2,0,0]=4 1910 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [0,0,0,0,0,2|1,0,0]=3 1911 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [0,0,0,0,0,2|2,0,0]=4 1912 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,0,0,0,0,2|2,0,0]=4 1913 B13R1.351 CC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702099 [0,0,0,0,0,2|2,0,0]=4 1914 B13R1.351 CC(NCc1ccccc1)C(=O)N 34a_100015324214_100000702099 [0,0,0,0,0,2|2,0,0]=4 1915 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [0,0,0,0,0,2|2,0,0]=4 1916 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [0,0,0,0,0,2|2,0,0]=4 1917 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [0,0,0,0,0,2|2,0,0]=4 1918 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [0,0,0,0,0,2|2,0,0]=4 1919 B13R1.351 CC(SCc1ccccc1)C(=O)[13CH3] 1458a_100000149570_200025704644 [0,0,0,0,0,2|2,0,0]=4 1920 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 2230a_100000119354_100015291786 [0,0,0,0,0,2|2,0,0]=4 1921 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 270004a_100000119354_100015611070 [0,0,0,0,0,2|2,0,0]=4 1922 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 34a_100000119354_100015291786 [0,0,0,0,0,2|2,0,0]=4 1923 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [0,0,0,0,0,2|2,0,0]=4 1924 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [0,0,0,0,0,2|2,0,0]=4 1925 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,0,0,0,0,2|1,0,0]=3 1926 B13R1.351 C[C@H](NCc1ccccn1)C(=O)O 269956a_100000743915_100000721315 [0,0,0,0,0,2|2,0,0]=4 1927 B13R1.351 C[C@H](NCc1cccnc1)C(=O)O 269956a_100000743915_100000733263 [0,0,0,0,0,2|2,0,0]=4 1928 B13R1.351 C[C@H](NCc1ccncc1)C(=O)O 269956a_100000743915_100015193705 [0,0,0,0,0,2|2,0,0]=4 1929 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [0,0,0,0,0,2|2,0,0]=4 1930 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211182 [0,0,0,0,0,2|1,0,1]=4 1931 B13R1.351 NC(=O)C(F)NCc1ccccc1 2230a_100015324214_100009813875 [0,0,0,0,0,2|2,0,0]=4 1932 B13R1.351 NC(=O)C(F)NCc1ccccc1 34a_100015324214_100009813875 [0,0,0,0,0,2|2,0,0]=4 1933 B13R1.351 NC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813875 [0,0,0,0,0,2|2,0,0]=4 1934 B13R1.351 NC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813875 [0,0,0,0,0,2|2,0,0]=4 1935 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813875 [0,0,0,0,0,2|2,0,0]=4 1936 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100009813875_100015291786 [0,0,0,0,0,2|2,0,0]=4 1937 B13R1.351 O=C([O-])C(F)NCc1ccccc1 34a_100015324214_100020610796 [0,0,0,0,0,2|1,0,1]=4 1938 B13R1.351 O=C([O-])C(F)OCc1ccccc1 34a_100000210790_100020610796 [0,0,0,0,0,2|1,0,1]=4 1939 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100000211182_100020610796 [0,0,0,0,0,2|1,0,1]=4 1940 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100020610796_100015291786 [0,0,0,0,0,2|1,0,1]=4 1941 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [0,0,0,0,0,2|1,0,0]=3 1942 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,0,0,0,0,2|1,0,0]=3 1943 B13R1.45 CC(=O)COC(C)c1ccccc1 34a_100000211253_100000211855 [0,0,0,0,0,2|2,0,0]=4 1944 B13R1.45 CC(=O)NCC(C)c1ccccc1 11a_100000701038_100015343762 [0,0,0,0,0,2|2,0,0]=4 1945 B13R1.45 CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100015343762 [0,0,0,0,0,2|2,0,0]=4 1946 B13R1.45 CC(=O)NCC(C)c1ccccc1 240690a_100000701038_100015343762 [0,0,0,0,0,2|2,0,0]=4 1947 B13R1.45 CC(=O)NCC(C)c1ccccc1 527a_100000701038_100103153847 [0,0,0,0,0,2|2,0,0]=4 1948 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [0,0,0,0,0,2|1,0,0]=3 1949 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [0,0,0,0,0,2|1,0,0]=3 1950 B13R1.45 CC(=O)NCC(O)c1ccccn1 240690a_100000691469_100015343762 [0,0,0,0,0,2|2,0,0]=4 1951 B13R1.45 CC(=O)NCC(O)c1ccccn1 527a_100000691469_100103153847 [0,0,0,0,0,2|2,0,0]=4 1952 B13R1.45 CC(=O)NCC(O)c1cccnc1 240690a_100020605170_100015343762 [0,0,0,0,0,2|2,0,0]=4 1953 B13R1.45 CC(=O)NCC(O)c1cccnc1 527a_100020605170_100103153847 [0,0,0,0,0,2|2,0,0]=4 1954 B13R1.45 CC(NCC(=O)N)c1ccccc1 2230a_100000711301_100000230085 [0,0,0,0,0,2|2,0,0]=4 1955 B13R1.45 CC(NCC(=O)O)c1ccccc1 269956a_100016091260_100000211855 [0,0,0,0,0,2|1,0,0]=3 1956 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000230085_100000747473 [0,0,0,0,0,2|2,0,0]=4 1957 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000747473_100000230085 [0,0,0,0,0,2|2,0,0]=4 1958 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100000230085_100020667443 [0,0,0,0,0,2|1,0,1]=4 1959 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100020667443_100000230085 [0,0,0,0,0,2|1,0,1]=4 1960 B13R1.45 C[C@@H](NCC(=O)N)c1ccccc1 2230a_100000751104_100000747473 [0,0,0,0,0,2|2,0,0]=4 1961 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 34a_100000761318_100000187820 [0,0,0,0,0,2|2,0,0]=4 1962 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 7a_100000761318_100000187820 [0,0,0,0,0,2|2,0,0]=4 1963 B13R1.45 C[C@@H](OCC(=O)[O-])c1ccccc1 34a_100000761318_100020667443 [0,0,0,0,0,2|1,0,1]=4