0 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.36 CC(=C(C)c1ccccn1)C 271570a_200000049429_100011216584 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.36 CC(=C(C)c1cccnc1)C 271570a_200000049429_100000752921 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.36 CC(=C(C)c1ccncc1)C 271570a_200000049429_100000035832 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,0,0,0,0,0|1,0,2]=3 14 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,0,0,0,0,0|2,0,1]=3 22 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,0,0,0,0,0|1,0,2]=3 23 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,0,0|2,0,1]=4 47 B12R1.20 CC(=C(C)c1ccc(cc1)Br)C 271570a_200000049429_100000752885 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.20 CC(=C(C)c1ccc(cc1)C)C 271570a_200000049429_100000186775 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.20 CC(=C(C)c1ccc(cc1)Cl)C 271570a_200000049429_100000755918 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.20 CC(=C(C)c1ccc(cc1)F)C 271570a_200000049429_100000211213 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.20 CC(=C(C)c1ccc(cc1)N)C 271570a_200000049429_100000185761 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,1,0,0,0,0|1,0,2]=4 63 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,1,0,0,0,0|1,0,2]=4 64 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,1,0,0,0,0|1,0,2]=4 65 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,1,0,0,0,0|1,0,2]=4 84 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,1,0,0,0,0|1,0,2]=4 85 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.20 CC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000210206 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210206 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.20 CC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000210206 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.20 CC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000210206 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000210206 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100011220430 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 11a_100102631434_100000185839 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 1626a_100102631434_100000185839 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 240690a_100102631434_100000185839 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 527a_100102631434_100000185839 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 11a_100102631434_100000210187 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 1626a_100102631434_100000210187 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 240690a_100102631434_100000210187 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 527a_100102631434_100000210187 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 11a_100102631434_100000187176 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 1626a_100102631434_100000187176 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 240690a_100102631434_100000187176 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 527a_100102631434_100000187176 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 11a_100102631434_100000187904 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 1626a_100102631434_100000187904 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 240690a_100102631434_100000187904 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 527a_100102631434_100000187904 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 240690a_100102631434_100000212099 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100000159574 [0,1,0,0,0,0|3,0,0]=4 112 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 527a_100102631434_100000212099 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.20 Cc1ccc(cc1)C(=O)C(C)C 1458a_100000188618_100000210206 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000188618 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000188618 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000188618 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000188618 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,1,0,0,0,0|1,0,2]=4 120 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,1,0,0,0,0|1,0,0]=2 121 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,1,0,0,0,0|2,0,1]=4 122 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,1,0,0,0,0|1,0,2]=4 123 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,1,0,0,0,0|1,0,2]=4 124 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,1,0,0,0,0|1,0,2]=4 125 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,1,0,0,0,0|1,0,2]=4 126 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.34 C#CC(C)C(=O)c1ccccc1 1458a_100000185807_200000035995 [0,1,0,0,0,0|2,0,1]=4 128 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.34 C=C(C(=O)CF)c1ccccc1 1458a_100000065200_100015361967 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.34 CC(C#N)C(=O)c1ccccc1 1458a_100000185807_100000703298 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,1,0,0,0,0|1,0,1]=3 136 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_100000239700_200025704644 [0,1,0,0,0,0|1,1,1]=4 137 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_200025704644_100000239700 [0,1,0,0,0,0|1,1,1]=4 138 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,0,0,0,0|2,0,1]=4 139 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,0,0,0,0|2,0,1]=4 144 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,1,0,0,0,0|1,0,2]=4 145 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.34 CCN(C)C(=O)c1ccccc1 11a_100000225621_100000185807 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.34 CCN(C)C(=O)c1ccccc1 1626a_100000225621_100000185807 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.34 CCN(C)C(=O)c1ccccc1 240690a_100000225621_100000185807 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.34 CCN(C)C(=O)c1ccccc1 527a_100000225621_100000185807 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,1,0,0,0,0|2,0,0]=3 151 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,1,0,0,0,0|2,0,1]=4 152 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,1,0,0,0,0|2,0,1]=4 157 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,1,0,0,0,0|2,0,1]=4 158 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,1,0,0,0,0|2,0,1]=4 159 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,1,0,0,0,0|1,0,2]=4 161 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_100000239700_200000210301 [0,1,0,0,0,0|1,1,1]=4 164 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_200000210301_100000239700 [0,1,0,0,0,0|1,1,1]=4 165 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,1,0,0,0,0|1,0,2]=4 168 B12R1.124 CC(=C(C)c1ccccc1Br)C 271570a_200000049429_100000695589 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.124 CC(=C(C)c1ccccc1C)C 271570a_200000049429_100000210755 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.124 CC(=C(C)c1ccccc1Cl)C 271570a_200000049429_100000764095 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.124 CC(=C(C)c1ccccc1F)C 271570a_200000049429_100011215700 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.124 CC(=C(C)c1ccccc1N)C 271570a_200000049429_100000210017 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.124 CC(=C(C)c1ccccc1O)C 271570a_200000049429_100000739446 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [0,1,0,0,0,0|1,0,2]=4 179 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [0,1,0,0,0,0|1,0,2]=4 180 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [0,1,0,0,0,0|1,0,2]=4 181 B12R1.124 CC(=O)N(C)c1ccccc1Br 11a_100020606079_100015343762 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.124 CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100015343762 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.124 CC(=O)N(C)c1ccccc1Cl 11a_100000219374_100015343762 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.124 CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100015343762 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.124 CC(=O)N(C)c1ccccc1F 11a_100000220357_100015343762 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.124 CC(=O)N(C)c1ccccc1F 1626a_100000220357_100015343762 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.124 CC(=O)N(C)c1ccccc1F 22a_100000220357_100000070787 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [0,1,0,0,0,0|2,0,1]=4 194 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [0,1,0,0,0,0|2,0,1]=4 195 B12R1.124 CC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000210206 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.124 CC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000210206 [0,1,0,0,0,0|2,0,1]=4 197 B12R1.124 CC(C)C(=O)c1ccccc1F 1458a_100000188656_100000210206 [0,1,0,0,0,0|2,0,1]=4 198 B12R1.124 CC(C)C(=O)c1ccccc1I 1458a_100000187884_100000210206 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.124 CC(C)C(=O)c1ccccc1O 1458a_100015234032_100000210206 [0,1,0,0,0,0|2,0,1]=4 200 B12R1.124 CC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000210206 [0,1,0,0,0,0|2,0,1]=4 201 B12R1.124 CN(C)C(=O)c1ccccc1Br 11a_100102631434_100000188424 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.124 CN(C)C(=O)c1ccccc1Br 1626a_100102631434_100000188424 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.124 CN(C)C(=O)c1ccccc1Br 240690a_100102631434_100000188424 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.124 CN(C)C(=O)c1ccccc1Br 527a_100102631434_100000188424 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.124 CN(C)C(=O)c1ccccc1Cl 11a_100102631434_100000185844 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.124 CN(C)C(=O)c1ccccc1Cl 1626a_100102631434_100000185844 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.124 CN(C)C(=O)c1ccccc1Cl 240690a_100102631434_100000185844 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.124 CN(C)C(=O)c1ccccc1Cl 527a_100102631434_100000185844 [0,1,0,0,0,0|3,0,0]=4 209 B12R1.124 CN(C)C(=O)c1ccccc1F 11a_100102631434_100000188656 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.124 CN(C)C(=O)c1ccccc1F 1626a_100102631434_100000188656 [0,1,0,0,0,0|3,0,0]=4 211 B12R1.124 CN(C)C(=O)c1ccccc1F 240690a_100102631434_100000188656 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.124 CN(C)C(=O)c1ccccc1F 527a_100102631434_100000188656 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.124 CN(C)C(=O)c1ccccc1I 11a_100102631434_100000187884 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.124 CN(C)C(=O)c1ccccc1I 1626a_100102631434_100000187884 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.124 CN(C)C(=O)c1ccccc1I 240690a_100102631434_100000187884 [0,1,0,0,0,0|3,0,0]=4 216 B12R1.124 CN(C)C(=O)c1ccccc1I 527a_100102631434_100000187884 [0,1,0,0,0,0|3,0,0]=4 217 B12R1.124 CN(C)C(=O)c1ccccc1O 240690a_100102631434_100015234032 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.124 CN(C)C(=O)c1ccccc1O 271570a_203496583355_100000159526 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 1626a_100102631434_100009911694 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 240690a_100102631434_100009911694 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 527a_100102631434_100009911694 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.124 Cc1ccccc1C(=O)C(C)C 1458a_100000212026_100000210206 [0,1,0,0,0,0|2,0,1]=4 223 B12R1.124 Cc1ccccc1C(=O)N(C)C 11a_100102631434_100000212026 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.124 Cc1ccccc1C(=O)N(C)C 1626a_100102631434_100000212026 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.124 Cc1ccccc1C(=O)N(C)C 240690a_100102631434_100000212026 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.124 Cc1ccccc1C(=O)N(C)C 527a_100102631434_100000212026 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [0,1,0,0,0,0|1,0,2]=4 228 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [0,1,0,0,0,0|1,0,2]=4 229 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [0,1,0,0,0,0|1,0,2]=4 230 B12R1.225 CC(=C(C)c1cccc(c1)Br)C 271570a_200000049429_100000691529 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.225 CC(=C(C)c1cccc(c1)C)C 271570a_200000049429_100011215228 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.225 CC(=C(C)c1cccc(c1)Cl)C 271570a_200000049429_100000699651 [0,1,0,0,0,0|3,0,0]=4 233 B12R1.225 CC(=C(C)c1cccc(c1)F)C 271570a_200000049429_100000685547 [0,1,0,0,0,0|3,0,0]=4 234 B12R1.225 CC(=C(C)c1cccc(c1)N)C 271570a_200000049429_100000210019 [0,1,0,0,0,0|3,0,0]=4 235 B12R1.225 CC(=C(C)c1cccc(c1)O)C 271570a_200000049429_100000211634 [0,1,0,0,0,0|3,0,0]=4 236 B12R1.225 CC(=C(C)c1cccc(c1)[S])C 271570a_200000049429_114929384022 [0,1,0,0,0,0|3,0,0]=4 237 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [0,1,0,0,0,0|2,0,1]=4 238 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [0,1,0,0,0,0|2,0,1]=4 239 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [0,1,0,0,0,0|2,0,1]=4 240 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,1,0,0,0,0|1,0,2]=4 241 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,1,0,0,0,0|1,0,2]=4 242 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,1,0,0,0,0|1,0,2]=4 243 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100015343762 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100015343762 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000070787 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100103153847 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,1,0,0,0,0|3,0,0]=4 250 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100015343762 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100015343762 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000070787 [0,1,0,0,0,0|3,0,0]=4 253 B12R1.225 CC(=O)N(C)c1cccc(c1)F 11a_100020633736_100015343762 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.225 CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100015343762 [0,1,0,0,0,0|3,0,0]=4 255 B12R1.225 CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000070787 [0,1,0,0,0,0|3,0,0]=4 256 B12R1.225 CC(=O)N(C)c1cccc(c1)I 11a_100000221217_100015343762 [0,1,0,0,0,0|3,0,0]=4 257 B12R1.225 CC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100015343762 [0,1,0,0,0,0|3,0,0]=4 258 B12R1.225 CC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000070787 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [0,1,0,0,0,0|3,0,0]=4 260 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [0,1,0,0,0,0|2,0,1]=4 262 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [0,1,0,0,0,0|2,0,1]=4 264 B12R1.225 CC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000210206 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.225 CC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000210206 [0,1,0,0,0,0|2,0,1]=4 266 B12R1.225 CC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000210206 [0,1,0,0,0,0|2,0,1]=4 267 B12R1.225 CC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000210206 [0,1,0,0,0,0|2,0,1]=4 268 B12R1.225 CC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000210206 [0,1,0,0,0,0|2,0,1]=4 269 B12R1.225 CC(C)C(=O)c1cccc(c1)O 271570a_203496583355_100011350656 [0,1,0,0,0,0|2,0,1]=4 270 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 11a_100102631434_100000210664 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 1626a_100102631434_100000210664 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 240690a_100102631434_100000210664 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 527a_100102631434_100000210664 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 11a_100102631434_100000210390 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 1626a_100102631434_100000210390 [0,1,0,0,0,0|3,0,0]=4 276 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 240690a_100102631434_100000210390 [0,1,0,0,0,0|3,0,0]=4 277 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 527a_100102631434_100000210390 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.225 CN(C)C(=O)c1cccc(c1)F 11a_100102631434_100000210950 [0,1,0,0,0,0|3,0,0]=4 279 B12R1.225 CN(C)C(=O)c1cccc(c1)F 1626a_100102631434_100000210950 [0,1,0,0,0,0|3,0,0]=4 280 B12R1.225 CN(C)C(=O)c1cccc(c1)F 240690a_100102631434_100000210950 [0,1,0,0,0,0|3,0,0]=4 281 B12R1.225 CN(C)C(=O)c1cccc(c1)F 527a_100102631434_100000210950 [0,1,0,0,0,0|3,0,0]=4 282 B12R1.225 CN(C)C(=O)c1cccc(c1)I 11a_100102631434_100000184098 [0,1,0,0,0,0|3,0,0]=4 283 B12R1.225 CN(C)C(=O)c1cccc(c1)I 1626a_100102631434_100000184098 [0,1,0,0,0,0|3,0,0]=4 284 B12R1.225 CN(C)C(=O)c1cccc(c1)I 240690a_100102631434_100000184098 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.225 CN(C)C(=O)c1cccc(c1)I 527a_100102631434_100000184098 [0,1,0,0,0,0|3,0,0]=4 286 B12R1.225 CN(C)C(=O)c1cccc(c1)O 240690a_100102631434_100000183914 [0,1,0,0,0,0|3,0,0]=4 287 B12R1.225 CN(C)C(=O)c1cccc(c1)O 271570a_203496583355_100000159571 [0,1,0,0,0,0|3,0,0]=4 288 B12R1.225 CN(C)C(=O)c1cccc(c1)O 527a_100102631434_100000183914 [0,1,0,0,0,0|3,0,0]=4 289 B12R1.225 Cc1cccc(c1)C(=O)C(C)C 1458a_100000189346_100000210206 [0,1,0,0,0,0|2,0,1]=4 290 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 11a_100102631434_100000189346 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 1626a_100102631434_100000189346 [0,1,0,0,0,0|3,0,0]=4 292 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 240690a_100102631434_100000189346 [0,1,0,0,0,0|3,0,0]=4 293 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 527a_100102631434_100000189346 [0,1,0,0,0,0|3,0,0]=4 294 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,1,0,0,0,0|1,0,2]=4 295 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,1,0,0,0,0|2,0,1]=4 296 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,1,0,0,0,0|1,0,2]=4 297 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,1,0,0,0,0|1,0,2]=4 298 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000070787_100000034625 [0,1,0,0,0,0|2,0,1]=4 299 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000211857_200000210301 [0,1,0,0,0,0|2,0,1]=4 300 B12R1.253 CC(=O)C(F)(F)c1ccccc1 1458a_100000070787_100000036403 [0,1,0,0,0,0|2,0,1]=4 301 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [0,1,0,0,0,0|1,0,2]=4 302 B12R1.253 CC(C)(C(=O)[13CH3])c1ccccc1 1458a_100000211857_200025704644 [0,1,0,0,0,0|2,0,1]=4 303 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [0,1,0,0,0,0|1,0,2]=4 304 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,1,0,0,0,0|1,0,2]=4 305 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,1,0,0,0,0|1,1,1]=4 306 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,1,0,0,0,0|1,1,1]=4 307 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,1,0,0,0,0|2,0,1]=4 308 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,1,0,0,0,0|2,0,1]=4 309 B12R1.478 CCN(C(=O)C)c1ccccc1 11a_100000210013_100015343762 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.478 CCN(C(=O)C)c1ccccc1 1626a_100000210013_100015343762 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.478 CCN(C(=O)C)c1ccccc1 22a_100000210013_100000070787 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,1,0,0,0,0|2,0,1]=4 313 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,1,0,0,0,0|2,0,1]=4 314 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,1,0,0,0,0|2,0,1]=4 315 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,1,0,0,0,0|2,0,1]=4 316 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,1,0,0,0,0|1,0,1]=3 317 B12R1.478 CNC(C(=O)O)c1ccccn1 269956a_200016167988_200000210301 [0,1,0,0,0,0|2,0,1]=4 318 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,1,0,0,0,0|2,0,1]=4 319 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,1,0,0,0,0|1,0,2]=4 320 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,1,0,0,0,0|1,0,2]=4 321 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,1,0,0,0,0|1,0,2]=4 322 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,1,0,0,0,0|1,0,2]=4 323 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,1,0,0,0,0|1,1,1]=4 324 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,1,0,0,0,0|1,1,1]=4 325 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,1,0,0,0,0|1,1,1]=4 326 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,1,0,0,0,0|1,1,1]=4 327 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,1,0,0,0,0|1,0,2]=4 328 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,1,0,0,0,0|1,0,1]=3 329 B12R1.478 [13CH3]NC(C(=O)O)c1ccccn1 269956a_200016167988_200025704644 [0,1,0,0,0,0|2,0,1]=4 330 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,1,0,0,0,0|2,0,1]=4 331 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,1,0,0,0,0|1,0,2]=4 332 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,1,0,0,0,0|1,0,2]=4 333 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,1,0,0,0,0|1,1,1]=4 334 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,1,0,0,0,0|1,1,1]=4 335 B12R1.564 O=C(c1ccccc1)C(F)(F)F 1458a_100000185807_200000243211 [0,1,0,0,0,0|2,0,1]=4 336 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,1,0,0|1,1,0]=3 337 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,1,0,0|1,0,1]=3 338 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,1,0,0|1,1,1]=4 339 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,0,0,1,0,0|3,0,0]=4 340 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,0|2,0,1]=4 341 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,0|2,0,1]=4 342 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,0,0,0,0,1|2,0,0]=3 343 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,0,0,0,0,1|3,0,0]=4 344 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,0,0,0,0,1|2,0,0]=3 345 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,0,0,0,0,1|2,0,0]=3 346 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,0,0,0,0,1|2,0,0]=3 347 B12R1.43 C=C(C)C(=O)Cc1ccccn1 1458a_100000185857_100000721315 [0,0,0,0,0,1|3,0,0]=4 348 B12R1.43 C=C(C)C(=O)Cc1cccnc1 1458a_100000185857_100000733263 [0,0,0,0,0,1|3,0,0]=4 349 B12R1.43 C=C(C)C(=O)Cc1ccncc1 1458a_100000185857_100000705612 [0,0,0,0,0,1|3,0,0]=4 350 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,0,0,0,0,1|2,0,0]=3 351 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,0,0,0,0,1|2,0,0]=3 352 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,0,0,0,0,1|2,0,0]=3 353 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,0,0,0,0,1|2,0,0]=3 354 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,0,0,0,0,1|2,0,0]=3 355 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,0,0,0,0,1|2,0,0]=3 356 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,0,0,0,0,1|2,0,0]=3 357 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,0,0,0,0,1|2,0,0]=3 358 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,0,0,0,0,1|2,0,0]=3 359 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,0,0,0,0,1|2,0,0]=3 360 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,0,0,0,0,1|2,0,0]=3 361 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,0,0,0,0,1|3,0,0]=4 362 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,0,0,0,0,1|2,0,0]=3 363 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [0,0,0,0,0,1|3,0,0]=4 364 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,0,0,0,0,1|1,0,0]=2 365 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,0,0,0,0,1|2,0,1]=4 366 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,0,0,0,0,1|2,0,1]=4 367 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,0,0,0,0,1|2,0,1]=4 368 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,0,0,0,0,1|2,0,1]=4 369 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,0,0,0,0,1|2,0,1]=4 370 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,0,0,0,0,1|2,0,1]=4 371 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,0,0,0,0,1|2,0,1]=4 372 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,0,0,0,0,1|3,0,0]=4 373 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,0,0,0,0,1|3,0,0]=4 374 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,0,0,0,0,1|3,0,0]=4 375 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,0,0,0,0,1|3,0,0]=4 376 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,0,0,0,0,1|1,0,2]=4 377 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [0,0,0,0,0,1|2,0,1]=4 378 B12R1.43 CC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210198 [0,0,0,0,0,1|2,0,1]=4 379 B12R1.43 CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210198 [0,0,0,0,0,1|2,0,1]=4 380 B12R1.43 CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210198 [0,0,0,0,0,1|2,0,1]=4 381 B12R1.43 CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210198 [0,0,0,0,0,1|2,0,1]=4 382 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,0,0,0,0,1|2,0,1]=4 383 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [0,0,0,0,0,1|2,0,1]=4 384 B12R1.43 CC(F)C(=O)Nc1ccccc1 11a_100000106764_100000062450 [0,0,0,0,0,1|2,0,1]=4 385 B12R1.43 CC(F)C(=O)Nc1ccccc1 1626a_100000106764_100000062450 [0,0,0,0,0,1|2,0,1]=4 386 B12R1.43 CC(F)C(=O)Nc1ccccc1 22a_100000106764_100000062450 [0,0,0,0,0,1|2,0,1]=4 387 B12R1.43 CC(F)C(=O)Nc1ccccc1 527a_100000106764_100000062450 [0,0,0,0,0,1|2,0,1]=4 388 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,0,0,0,0,1|2,0,1]=4 389 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,0,0,0,0,1|2,0,1]=4 390 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,0,0,0,0,1|2,0,1]=4 391 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,0,0,0,0,1|2,0,1]=4 392 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,0,0,0,0,1|2,0,1]=4 393 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,0,0,0,0,1|2,0,1]=4 394 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,0,0,0,0,1|2,0,1]=4 395 B12R1.43 CN(C)C(=O)Nc1ccccc1 2430a_100000106764_100102631434 [0,0,0,0,0,1|3,0,0]=4 396 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,0,0,0,0,1|1,0,1]=3 397 B12R1.43 C[C@@H](O)C(=O)Cc1ccccn1 1458a_100000717761_100000721315 [0,0,0,0,0,1|2,0,1]=4 398 B12R1.43 C[C@@H](O)C(=O)Cc1cccnc1 1458a_100000717761_100000733263 [0,0,0,0,0,1|2,0,1]=4 399 B12R1.43 C[C@@H](O)C(=O)Cc1ccncc1 1458a_100000717761_100000705612 [0,0,0,0,0,1|2,0,1]=4 400 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,0,0,0,0,1|1,0,1]=3 401 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,0,0,0,0,1|1,0,1]=3 402 B12R1.43 C[C@H](O)C(=O)Cc1ccccn1 1458a_217856618621_100000721315 [0,0,0,0,0,1|2,0,1]=4 403 B12R1.43 C[C@H](O)C(=O)Cc1cccnc1 1458a_217856618621_100000733263 [0,0,0,0,0,1|2,0,1]=4 404 B12R1.43 C[C@H](O)C(=O)Cc1ccncc1 1458a_217856618621_100000705612 [0,0,0,0,0,1|2,0,1]=4 405 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,0,0,0,0,1|1,0,1]=3 406 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,0,0,0,0,1|1,0,1]=3 407 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,0,0,0,0,1|1,0,0]=2 408 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,0,0,0,0,1|2,0,1]=4 409 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,0,0,0,0,1|2,0,1]=4 410 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,0,0,0,0,1|2,0,1]=4 411 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,0,0,0,0,1|2,0,1]=4 412 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,0,0,0,0,1|2,0,1]=4 413 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,0,0,0,0,1|0,0,2]=3 414 B12R1.43 O=C(Cc1ccccn1)C(O)O 1458a_100000233687_100000721315 [0,0,0,0,0,1|1,0,2]=4 415 B12R1.43 O=C(Cc1cccnc1)C(O)O 1458a_100000233687_100000733263 [0,0,0,0,0,1|1,0,2]=4 416 B12R1.43 O=C(Cc1ccncc1)C(O)O 1458a_100000233687_100000705612 [0,0,0,0,0,1|1,0,2]=4 417 B12R1.43 O=C(Nc1ccccc1)C(F)F 11a_100000106764_100000210393 [0,0,0,0,0,1|2,0,1]=4 418 B12R1.43 O=C(Nc1ccccc1)C(F)F 1626a_100000106764_100000210393 [0,0,0,0,0,1|2,0,1]=4 419 B12R1.43 O=C(Nc1ccccc1)C(F)F 22a_100000106764_100000210393 [0,0,0,0,0,1|2,0,1]=4 420 B12R1.43 O=C(Nc1ccccc1)C(F)F 527a_100000106764_100000210393 [0,0,0,0,0,1|2,0,1]=4 421 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,0,0,0,0,1|0,0,2]=3 422 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,0,0,0,0,1|1,0,2]=4 423 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,0,0,0,0,1|1,0,2]=4 424 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,0,0,0,0,1|1,0,2]=4 425 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,0,0,0,0,1|1,0,2]=4 426 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,0,0,0,0,1|2,0,0]=3 427 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,0,0,0,0,1|2,0,0]=3 428 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [0,0,0,0,0,1|3,0,0]=4 429 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,0,0,0,0,1|1,0,0]=2 430 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,0,0,0,0,1|1,0,2]=4 431 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,0,0,0,0,1|2,0,0]=3 432 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,0,0,0,0,1|2,0,0]=3 433 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,0,0,0,0,1|2,0,0]=3 434 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,0,0,0,0,1|2,0,0]=3 435 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,0,0,0,0,1|1,0,0]=2 436 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,0,0,0,0,1|2,0,0]=3 437 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,0,0,0,0,1|2,0,0]=3 438 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,0,0,0,0,1|2,0,0]=3 439 B12R1.107 CC(=O)CC(=O)c1ncccn1 1458a_100000070787_100020636365 [0,0,0,0,0,1|3,0,0]=4 440 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,0,0,0,0,1|2,0,1]=4 441 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,0,0,0,0,1|2,0,1]=4 442 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,0,0,0,0,1|1,0,2]=4 443 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,0,0,0,0,1|1,0,2]=4 444 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,0,0,0,0,1|3,0,0]=4 445 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,0,0,0,0,1|1,0,2]=4 446 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,0,0,0,0,1|2,0,1]=4 447 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,0,0,0,0,1|2,0,1]=4 448 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,0,0,0,0,1|2,0,1]=4 449 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,0,0,0,0,1|2,0,1]=4 450 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,0,0,0,0,1|2,0,1]=4 451 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [0,0,0,0,0,1|2,0,1]=4 452 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [0,0,0,0,0,1|2,0,1]=4 453 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [0,0,0,0,0,1|2,0,1]=4 454 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [0,0,0,0,0,1|2,0,1]=4 455 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,0,0,0,0,1|2,0,1]=4 456 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,0,0,0,0,1|1,0,1]=3 457 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [0,0,0,0,0,1|3,0,0]=4 458 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,0,0,0,0,1|3,0,0]=4 459 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,0,0,0,0,1|3,0,0]=4 460 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,0,0,0,0,1|3,0,0]=4 461 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,0,0,0,0,1|3,0,0]=4 462 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,0,0,0,0,1|3,0,0]=4 463 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,0,0,0,0,1|2,0,0]=3 464 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,0,0,0,0,1|3,0,0]=4 465 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,0,0,0,0,1|2,0,1]=4 466 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,0,0,0,0,1|2,0,1]=4 467 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,0,0,0,0,1|1,0,0]=2 468 B12R1.107 O=C(CC(F)F)c1ccccc1 1458a_100000185807_100011934356 [0,0,0,0,0,1|2,0,1]=4 469 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [0,0,0,0,0,1|1,0,1]=3 470 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,0,0,0,0,1|0,0,1]=2 471 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,0,0,0,0,1|1,0,2]=4 472 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,0,0,0,0,1|3,0,0]=4 473 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,0,0,0,0,1|3,0,0]=4 474 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,0,0,0,0,1|2,0,0]=3 475 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|1,0,0]=3 476 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [2,0,0,0,0,0|2,0,0]=4 477 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [2,0,0,0,0,0|2,0,0]=4 478 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|0,0,1]=3 480 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|0,0,1]=3 481 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [2,0,0,0,0,0|1,0,1]=4 482 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|1,0,0]=3 483 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [2,0,0,0,0,0|2,0,0]=4 484 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [2,0,0,0,0,0|2,0,0]=4 485 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [2,0,0,0,0,0|2,0,0]=4 486 B11R0.163 C=CC=CC(=O)CC(=O)C(=O)C 1458a_100016291481_100011261029 [0,1,1,0,0,0|1,0,1]=4 487 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [1,1,0,0,0,0|1,0,1]=4 488 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [1,1,0,0,0,0|1,0,0]=3 489 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,1,0,0,0,0|1,0,1]=4 490 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [1,1,0,0,0,0|1,0,1]=4 491 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [1,1,0,0,0,0|1,0,1]=4 492 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [1,1,0,0,0,0|1,0,1]=4 493 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [1,1,0,0,0,0|1,0,1]=4 497 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [1,1,0,0,0,0|1,0,1]=4 499 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [1,1,0,0,0,0|0,1,1]=4 500 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [1,1,0,0,0,0|0,1,1]=4 501 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [1,1,0,0,0,0|1,0,1]=4 502 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [1,1,0,0,0,0|1,0,1]=4 503 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [1,1,0,0,0,0|0,0,1]=3 504 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [1,1,0,0,0,0|0,1,1]=4 505 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [1,1,0,0,0,0|0,1,1]=4 506 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,1,0,0,0,0|1,0,1]=4 507 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|1,0,1]=4 508 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,1,0,0,0,0|1,0,1]=4 509 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,1,0,0,0,0|1,0,1]=4 510 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,1,0,0,0,0|1,0,1]=4 511 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|1,0,1]=4 512 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|1,0,1]=4 513 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [1,1,0,0,0,0|1,0,1]=4 538 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [1,1,0,0,0,0|1,0,1]=4 539 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|1,0,1]=4 540 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [1,1,0,0,0,0|1,0,1]=4 542 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [1,1,0,0,0,0|1,0,1]=4 543 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [1,1,0,0,0,0|1,0,1]=4 544 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [1,1,0,0,0,0|1,0,1]=4 545 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,1,0,0,0,0|1,0,1]=4 546 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|0,0,1]=3 547 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,1,0,0,0,0|0,0,0]=2 548 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [1,1,0,0,0,0|1,0,1]=4 549 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [1,1,0,0,0,0|1,0,1]=4 550 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [1,1,0,0,0,0|1,0,1]=4 551 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [1,1,0,0,0,0|1,0,1]=4 552 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [1,1,0,0,0,0|1,0,1]=4 553 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [1,1,0,0,0,0|1,0,1]=4 554 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [1,1,0,0,0,0|1,0,1]=4 555 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [1,1,0,0,0,0|2,0,0]=4 564 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [1,1,0,0,0,0|2,0,0]=4 574 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [1,1,0,0,0,0|1,0,1]=4 580 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [1,1,0,0,0,0|1,0,1]=4 581 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [1,1,0,0,0,0|1,0,1]=4 582 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [1,1,0,0,0,0|1,0,1]=4 584 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [1,1,0,0,0,0|1,0,1]=4 585 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [1,1,0,0,0,0|1,0,1]=4 586 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [1,1,0,0,0,0|1,0,1]=4 587 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [1,1,0,0,0,0|1,0,1]=4 588 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [1,1,0,0,0,0|0,0,0]=2 589 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [1,1,0,0,0,0|1,0,1]=4 590 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,1,0,0,0,0|1,0,1]=4 591 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [1,1,0,0,0,0|1,0,1]=4 592 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [1,1,0,0,0,0|1,0,1]=4 593 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [1,1,0,0,0,0|1,0,1]=4 594 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,1,0,0,0,0|1,0,1]=4 595 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [1,1,0,0,0,0|1,0,1]=4 596 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [1,1,0,0,0,0|2,0,0]=4 617 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [1,1,0,0,0,0|1,0,1]=4 623 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [1,1,0,0,0,0|1,0,1]=4 625 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [1,1,0,0,0,0|1,0,1]=4 626 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [1,1,0,0,0,0|1,0,1]=4 627 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [1,1,0,0,0,0|1,0,1]=4 628 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [1,1,0,0,0,0|1,0,1]=4 629 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [1,1,0,0,0,0|1,0,1]=4 630 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [1,1,0,0,0,0|2,0,0]=4 633 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,1,0,0,0,0|1,0,1]=4 637 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,1,0,0,0,0|1,0,1]=4 638 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,1,0,0,0,0|1,0,1]=4 639 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,1,0,0,0,0|1,0,1]=4 640 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,1,0,0,0,0|1,0,1]=4 641 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,1,0,0,0,0|1,0,1]=4 642 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,1,0,0,0,0|1,0,1]=4 643 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,1,0,0,0,0|1,0,1]=4 644 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,1,0,0,0,0|1,0,1]=4 645 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,1,0,0,0,0|1,0,1]=4 646 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,1,0,0,0,0|1,0,1]=4 647 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,1,0,0,0,0|1,0,1]=4 648 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,1,0,0,0,0|2,0,0]=4 656 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,1,0,0,0,0|2,0,0]=4 657 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,1,0,0,0,0|2,0,0]=4 660 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,1,0,0,0,0|2,0,0]=4 661 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,1,0,0,0,0|2,0,0]=4 662 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,1,0,0,0,0|2,0,0]=4 663 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,1,0,0,0,0|2,0,0]=4 664 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,1,0,0,0,0|2,0,0]=4 665 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,1,0,0,0,0|1,0,1]=4 673 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,1,0,0,0,0|1,0,1]=4 674 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,1,0,0,0,0|1,0,1]=4 678 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,1,0,0,0,0|1,0,1]=4 679 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,1,0,0,0,0|1,0,1]=4 680 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,1,0,0,0,0|1,0,1]=4 681 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,1,0,0,0,0|1,0,1]=4 682 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [1,1,0,0,0,0|1,0,1]=4 683 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,1,0,0,0,0|1,0,1]=4 684 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,1,0,0,0,0|2,0,0]=4 685 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,1,0,0,0,0|1,0,1]=4 687 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 690 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 691 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,1,0,0,0,0|2,0,0]=4 692 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,1,0,0,0,0|0,0,1]=3 693 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [1,1,0,0,0,0|1,0,1]=4 694 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [1,1,0,0,0,0|1,0,1]=4 695 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [1,1,0,0,0,0|1,0,1]=4 696 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,1,0,0,0,0|1,0,0]=3 697 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,1,0,0,0,0|1,0,0]=3 698 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [1,1,0,0,0,0|1,0,1]=4 705 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [1,1,0,0,0,0|1,0,1]=4 706 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,1,0,0,0,0|1,0,1]=4 707 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,1,0,0,0,0|1,0,1]=4 708 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [1,1,0,0,0,0|1,0,1]=4 709 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [1,1,0,0,0,0|1,0,1]=4 710 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [1,1,0,0,0,0|1,0,1]=4 711 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [1,1,0,0,0,0|1,0,1]=4 712 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [1,1,0,0,0,0|1,0,1]=4 713 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [1,1,0,0,0,0|1,0,1]=4 714 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,1,0,0,0,0|1,0,1]=4 715 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,1,0,0,0,0|1,0,1]=4 716 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [1,1,0,0,0,0|2,0,0]=4 717 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [1,1,0,0,0,0|2,0,0]=4 718 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,1,0,0,0,0|2,0,0]=4 719 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,1,0,0,0,0|2,0,0]=4 720 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,1,0,0,0,0|2,0,0]=4 721 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,1,0,0,0,0|2,0,0]=4 722 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [1,1,0,0,0,0|2,0,0]=4 727 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [1,1,0,0,0,0|2,0,0]=4 728 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [1,1,0,0,0,0|2,0,0]=4 729 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [1,1,0,0,0,0|2,0,0]=4 730 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [1,1,0,0,0,0|2,0,0]=4 731 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,1,0,0,0,0|1,0,1]=4 737 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,1,0,0,0,0|1,0,1]=4 738 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [1,1,0,0,0,0|1,0,1]=4 740 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [1,1,0,0,0,0|1,0,1]=4 741 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [1,1,0,0,0,0|1,0,1]=4 742 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [1,1,0,0,0,0|1,0,1]=4 743 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,1,0,0,0,0|1,0,1]=4 744 B11R1.157 CC(=Cc1cccc(c1)Br)C 271570a_100102525489_100000691529 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.157 CC(=Cc1cccc(c1)Cl)C 271570a_100102525489_100000699651 [1,1,0,0,0,0|2,0,0]=4 747 B11R1.157 CC(=Cc1cccc(c1)F)C 271570a_100102525489_100000685547 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.157 CC(=Cc1cccc(c1)[S])C 271570a_100102525489_114929384022 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,1,0,0,0,0|1,0,1]=4 752 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,1,0,0,0,0|1,0,1]=4 753 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,1,0,0,0,0|1,0,1]=4 754 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,1,0,0,0,0|1,0,1]=4 755 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,1,0,0,0,0|1,0,1]=4 756 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,1,0,0,0,0|1,0,1]=4 757 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,1,0,0,0,0|1,0,1]=4 758 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,1,0,0,0,0|1,0,1]=4 759 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,1,0,0,0,0|1,0,1]=4 760 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,1,0,0,0,0|1,0,1]=4 761 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,1,0,0,0,0|1,0,1]=4 762 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,1,0,0,0,0|1,0,1]=4 763 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,1,0,0,0,0|1,0,1]=4 764 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [1,1,0,0,0,0|2,0,0]=4 765 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [1,1,0,0,0,0|2,0,0]=4 782 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [1,1,0,0,0,0|2,0,0]=4 783 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,1,0,0,0,0|2,0,0]=4 784 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,1,0,0,0,0|2,0,0]=4 785 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [1,1,0,0,0,0|2,0,0]=4 788 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,1,0,0,0,0|1,0,1]=4 789 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,1,0,0,0,0|1,0,1]=4 790 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,1,0,0,0,0|1,0,1]=4 792 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,1,0,0,0,0|1,0,1]=4 793 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,1,0,0,0,0|1,0,1]=4 794 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,1,0,0,0,0|1,0,1]=4 795 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,1,0,0,0,0|1,0,1]=4 796 B13R1.133 C/C(=C\c1ccc(cc1)F)/C(=O)[13CH3] 1458a_100053117043_200025704644 [0,1,0,0,0,1|2,0,0]=4 797 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100009813364 [0,1,0,0,0,1|2,0,0]=4 798 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100009813364 [0,1,0,0,0,1|2,0,0]=4 799 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)C 11a_100000124888_100009813364 [0,1,0,0,0,1|2,0,0]=4 800 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100009813364 [0,1,0,0,0,1|2,0,0]=4 801 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100009813364 [0,1,0,0,0,1|2,0,0]=4 802 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100009813364 [0,1,0,0,0,1|2,0,0]=4 803 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)F 11a_100000185862_100009813364 [0,1,0,0,0,1|2,0,0]=4 804 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100009813364 [0,1,0,0,0,1|2,0,0]=4 805 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)I 11a_100000185761_100009813364 [0,1,0,0,0,1|2,0,0]=4 806 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100009813364 [0,1,0,0,0,1|2,0,0]=4 807 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)Br 1458a_100000185857_100000189115 [0,1,0,0,0,1|2,0,0]=4 808 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)C 1458a_100000185857_100000210814 [0,1,0,0,0,1|2,0,0]=4 809 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)Cl 1458a_100000185857_100000694040 [0,1,0,0,0,1|2,0,0]=4 810 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)F 1458a_100000185857_100000198546 [0,1,0,0,0,1|2,0,0]=4 811 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)I 1458a_100000185857_100000189116 [0,1,0,0,0,1|2,0,0]=4 812 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000185857 [0,1,0,0,0,1|2,0,0]=4 813 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185857 [0,1,0,0,0,1|2,0,0]=4 814 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185857 [0,1,0,0,0,1|2,0,0]=4 815 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000185857 [0,1,0,0,0,1|2,0,0]=4 816 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185857 [0,1,0,0,0,1|2,0,0]=4 817 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000185857 [0,1,0,0,0,1|2,0,0]=4 818 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000185857 [0,1,0,0,0,1|2,0,0]=4 819 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185857 [0,1,0,0,0,1|2,0,0]=4 820 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185857 [0,1,0,0,0,1|2,0,0]=4 821 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000185857 [0,1,0,0,0,1|2,0,0]=4 822 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185857 [0,1,0,0,0,1|2,0,0]=4 823 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000185857 [0,1,0,0,0,1|2,0,0]=4 824 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000185857 [0,1,0,0,0,1|2,0,0]=4 825 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185857 [0,1,0,0,0,1|2,0,0]=4 826 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000185857 [0,1,0,0,0,1|2,0,0]=4 827 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000185857 [0,1,0,0,0,1|2,0,0]=4 828 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000039160 [0,1,0,0,0,1|2,0,0]=4 829 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000039160 [0,1,0,0,0,1|2,0,0]=4 830 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000039160 [0,1,0,0,0,1|2,0,0]=4 831 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000039160 [0,1,0,0,0,1|2,0,0]=4 832 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000039160 [0,1,0,0,0,1|2,0,0]=4 833 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000039160 [0,1,0,0,0,1|2,0,0]=4 834 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000039160 [0,1,0,0,0,1|2,0,0]=4 835 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000039160 [0,1,0,0,0,1|2,0,0]=4 836 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000039160 [0,1,0,0,0,1|2,0,0]=4 837 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000039160 [0,1,0,0,0,1|2,0,0]=4 838 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000039160 [0,1,0,0,0,1|2,0,0]=4 839 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000039160 [0,1,0,0,0,1|2,0,0]=4 840 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000039160 [0,1,0,0,0,1|2,0,0]=4 841 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000039160 [0,1,0,0,0,1|2,0,0]=4 842 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000039160 [0,1,0,0,0,1|2,0,0]=4 843 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000039160 [0,1,0,0,0,1|2,0,0]=4 844 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000036797 [0,1,0,0,0,1|2,0,0]=4 845 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000036797 [0,1,0,0,0,1|2,0,0]=4 846 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000036797 [0,1,0,0,0,1|2,0,0]=4 847 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000036797 [0,1,0,0,0,1|2,0,0]=4 848 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000036797 [0,1,0,0,0,1|2,0,0]=4 849 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000036797 [0,1,0,0,0,1|2,0,0]=4 850 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000036797 [0,1,0,0,0,1|2,0,0]=4 851 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000036797 [0,1,0,0,0,1|2,0,0]=4 852 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000036797 [0,1,0,0,0,1|2,0,0]=4 853 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000036797 [0,1,0,0,0,1|2,0,0]=4 854 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000036797 [0,1,0,0,0,1|2,0,0]=4 855 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000036797 [0,1,0,0,0,1|2,0,0]=4 856 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000036797 [0,1,0,0,0,1|2,0,0]=4 857 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000036797 [0,1,0,0,0,1|2,0,0]=4 858 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000036797 [0,1,0,0,0,1|2,0,0]=4 859 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000036797 [0,1,0,0,0,1|2,0,0]=4 860 B13R1.133 CC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_200000210301 [0,1,0,0,0,1|2,0,0]=4 861 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_200000210301 [0,1,0,0,0,1|1,0,0]=3 862 B13R1.133 CC(=O)C(=O)Nc1ccc(cn1)Cl 1458a_100011297360_200000210301 [0,1,0,0,0,1|2,0,0]=4 863 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)Br 1458a_100000717761_100000189115 [0,1,0,0,0,1|1,0,1]=4 864 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)Cl 1458a_100000717761_100000694040 [0,1,0,0,0,1|1,0,1]=4 865 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)F 1458a_100000717761_100000198546 [0,1,0,0,0,1|1,0,1]=4 866 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)I 1458a_100000717761_100000189116 [0,1,0,0,0,1|1,0,1]=4 867 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000717761 [0,1,0,0,0,1|1,0,1]=4 868 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000717761 [0,1,0,0,0,1|1,0,1]=4 869 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000717761 [0,1,0,0,0,1|1,0,1]=4 870 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000717761 [0,1,0,0,0,1|1,0,1]=4 871 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000717761 [0,1,0,0,0,1|1,0,1]=4 872 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)Br 1458a_217856618621_100000189115 [0,1,0,0,0,1|1,0,1]=4 873 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)Cl 1458a_217856618621_100000694040 [0,1,0,0,0,1|1,0,1]=4 874 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)F 1458a_217856618621_100000198546 [0,1,0,0,0,1|1,0,1]=4 875 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)I 1458a_217856618621_100000189116 [0,1,0,0,0,1|1,0,1]=4 876 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_217856618621 [0,1,0,0,0,1|1,0,1]=4 877 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_217856618621 [0,1,0,0,0,1|1,0,1]=4 878 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_217856618621 [0,1,0,0,0,1|1,0,1]=4 879 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_217856618621 [0,1,0,0,0,1|1,0,1]=4 880 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)F 1626a_100000185862_217856618621 [0,1,0,0,0,1|1,0,1]=4 881 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)F 22a_100000185862_217856618621 [0,1,0,0,0,1|1,0,1]=4 882 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)I 1626a_100000185761_217856618621 [0,1,0,0,0,1|1,0,1]=4 883 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)I 22a_100000185761_217856618621 [0,1,0,0,0,1|1,0,1]=4 884 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)O 22a_100000185829_217856618621 [0,1,0,0,0,1|1,0,1]=4 885 B13R1.133 Cc1ccc(cc1)CC(=O)C(O)O 1458a_100000233687_100000210814 [0,1,0,0,0,1|0,0,2]=4 886 B13R1.133 Cc1ccc(cc1)CC(=O)[C@@H](C)O 1458a_100000717761_100000210814 [0,1,0,0,0,1|1,0,1]=4 887 B13R1.133 Cc1ccc(cc1)CC(=O)[C@H](C)O 1458a_217856618621_100000210814 [0,1,0,0,0,1|1,0,1]=4 888 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)N 22a_100000124888_100011215815 [0,1,0,0,0,1|1,0,0]=3 889 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)[13CH3] 1458a_100000189662_200025704644 [0,1,0,0,0,1|1,0,0]=3 890 B13R1.133 Cc1ccc(cc1)NC(=O)C(O)O 22a_100000124888_100000233687 [0,1,0,0,0,1|0,0,2]=4 891 B13R1.133 Cc1ccc(cc1)NC(=O)[C@@H](C)O 22a_100000124888_100000717761 [0,1,0,0,0,1|1,0,1]=4 892 B13R1.133 Cc1ccc(cc1)NC(=O)[C@H](C)O 1626a_100000124888_217856618621 [0,1,0,0,0,1|1,0,1]=4 893 B13R1.133 Cc1ccc(cc1)NC(=O)[C@H](C)O 22a_100000124888_217856618621 [0,1,0,0,0,1|1,0,1]=4 894 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100011215815 [0,1,0,0,0,1|1,0,0]=3 895 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011215815 [0,1,0,0,0,1|1,0,0]=3 896 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)F 22a_100000185862_100011215815 [0,1,0,0,0,1|1,0,0]=3 897 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100011215815 [0,1,0,0,0,1|1,0,0]=3 898 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100011215815 [0,1,0,0,0,1|1,0,0]=3 899 B13R1.133 O=C(Cc1ccc(cc1)Br)C(O)O 1458a_100000233687_100000189115 [0,1,0,0,0,1|0,0,2]=4 900 B13R1.133 O=C(Cc1ccc(cc1)Cl)C(O)O 1458a_100000233687_100000694040 [0,1,0,0,0,1|0,0,2]=4 901 B13R1.133 O=C(Cc1ccc(cc1)F)C(O)O 1458a_100000233687_100000198546 [0,1,0,0,0,1|0,0,2]=4 902 B13R1.133 O=C(Cc1ccc(cc1)I)C(O)O 1458a_100000233687_100000189116 [0,1,0,0,0,1|0,0,2]=4 903 B13R1.133 O=C(Nc1ccc(cc1)Br)C(O)O 22a_100000210018_100000233687 [0,1,0,0,0,1|0,0,2]=4 904 B13R1.133 O=C(Nc1ccc(cc1)Cl)C(O)O 22a_100000210052_100000233687 [0,1,0,0,0,1|0,0,2]=4 905 B13R1.133 O=C(Nc1ccc(cc1)F)C(O)O 22a_100000185862_100000233687 [0,1,0,0,0,1|0,0,2]=4 906 B13R1.133 O=C(Nc1ccc(cc1)I)C(O)O 22a_100000185761_100000233687 [0,1,0,0,0,1|0,0,2]=4 907 B13R1.133 O=C(Nc1ccc(cc1)O)C(O)O 22a_100000185829_100000233687 [0,1,0,0,0,1|0,0,2]=4 908 B13R1.133 [13CH3]C(=O)C(=O)Nc1ccc(cn1)Cl 1458a_100011297360_200025704644 [0,1,0,0,0,1|2,0,0]=4 909 B13R1.135 C/C(=C\c1ccccc1)/C(=O)CF 1458a_100016990649_100015361967 [0,1,0,0,0,1|2,0,0]=4 910 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccc1 1458a_100020587367_100015291786 [0,1,0,0,0,1|2,0,0]=4 911 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100020587367 [0,1,0,0,0,1|2,0,0]=4 912 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100020587367 [0,1,0,0,0,1|2,0,0]=4 913 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100020587367 [0,1,0,0,0,1|2,0,0]=4 914 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 22a_100000106764_200000705526 [0,1,0,0,0,1|1,0,0]=3 915 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 11a_106832991635_100000066491 [0,1,0,0,0,1|2,0,0]=4 916 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 1626a_100102657272_100000066491 [0,1,0,0,0,1|2,0,0]=4 917 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [0,1,0,0,0,1|1,0,1]=4 918 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210202 [0,1,0,0,0,1|2,0,0]=4 919 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210202 [0,1,0,0,0,1|2,0,0]=4 920 B13R1.135 CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210202 [0,1,0,0,0,1|2,0,0]=4 921 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210202 [0,1,0,0,0,1|1,0,0]=3 922 B13R1.135 CCC(O)C(=O)Cc1ccccc1 1458a_100011196387_100015291786 [0,1,0,0,0,1|1,0,1]=4 923 B13R1.135 CCC(O)C(=O)Nc1ccccc1 22a_100000106764_100011196387 [0,1,0,0,0,1|1,0,1]=4 924 B13R1.135 CN(Cc1ccccc1)C(=O)CO 240690a_100000186898_100000210174 [0,1,0,0,0,1|2,0,0]=4 925 B13R1.135 CN(Cc1ccccc1)C(=O)CO 527a_100000186898_100000210174 [0,1,0,0,0,1|2,0,0]=4 926 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 11a_106832991635_100016990649 [0,1,0,0,0,1|2,0,0]=4 927 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 1626a_100102657272_100016990649 [0,1,0,0,0,1|2,0,0]=4 928 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 527a_100102657272_100016990649 [0,1,0,0,0,1|2,0,0]=4 929 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 11a_106832991635_200020598536 [0,1,0,0,0,1|2,0,0]=4 930 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100102657272_200020598536 [0,1,0,0,0,1|2,0,0]=4 931 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100102657272_200020598536 [0,1,0,0,0,1|2,0,0]=4 932 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100102657272_200020598536 [0,1,0,0,0,1|2,0,0]=4 933 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 11a_106832991635_100020889036 [0,1,0,0,0,1|2,0,0]=4 934 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 527a_100102657272_100020889036 [0,1,0,0,0,1|2,0,0]=4 935 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 1458a_100011218921_100015291786 [0,1,0,0,0,1|1,0,0]=3 936 B13R1.135 CNC(=O)C(=O)Cc1ccccn1 1458a_100011218921_100000721315 [0,1,0,0,0,1|2,0,0]=4 937 B13R1.135 CNC(=O)C(=O)Cc1cccnc1 1458a_100011218921_100000733263 [0,1,0,0,0,1|2,0,0]=4 938 B13R1.135 CNC(=O)C(=O)Cc1ccncc1 1458a_100011218921_100000705612 [0,1,0,0,0,1|2,0,0]=4 939 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011218921 [0,1,0,0,0,1|1,0,0]=3 940 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011218921 [0,1,0,0,0,1|1,0,0]=3 941 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 240690a_100102657272_100000738435 [0,1,0,0,0,1|1,0,0]=3 942 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_100011218921 [0,1,0,0,0,1|1,0,0]=3 943 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,1,0,0,0,1|0,0,0]=2 944 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,1,0,0,0,1|0,0,0]=2 945 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,1,0,0,0,1|0,0,0]=2 946 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [0,1,0,0,0,1|1,0,1]=4 947 B13R1.135 COC(=O)C(C)Oc1ccccc1 34a_100000210340_100000211248 [0,1,0,0,0,1|1,0,1]=4 948 B13R1.135 COC(=O)C(C)Oc1ccccc1 7a_100000210340_100000211248 [0,1,0,0,0,1|1,0,1]=4 949 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000211248_100000041952 [0,1,0,0,0,1|1,0,1]=4 950 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000719477_100000211248 [0,1,0,0,0,1|1,0,1]=4 951 B13R1.135 COC(C)C(=O)Cc1ccccc1 1458a_100000743197_100015291786 [0,1,0,0,0,1|1,0,1]=4 952 B13R1.135 COC(C)C(=O)Nc1ccccc1 11a_100000106764_100000743197 [0,1,0,0,0,1|1,0,1]=4 953 B13R1.135 COC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000743197 [0,1,0,0,0,1|1,0,1]=4 954 B13R1.135 COC(C)C(=O)Nc1ccccc1 22a_100000106764_100000743197 [0,1,0,0,0,1|1,0,1]=4 955 B13R1.135 COC(C)C(=O)Nc1ccccc1 34a_100138415774_100000183986 [0,1,0,0,0,1|1,0,1]=4 956 B13R1.135 COC(C)C(=O)Nc1ccccc1 527a_100000106764_100000743197 [0,1,0,0,0,1|1,0,1]=4 957 B13R1.135 O=C(CF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100015361967 [0,1,0,0,0,1|2,0,0]=4 958 B13R1.135 O=C(CF)/C(=C\c1ccccc1)/F 1458a_100020889036_100015361967 [0,1,0,0,0,1|2,0,0]=4 959 B13R1.135 O=C(CF)C(=O)Nc1ccccc1 1458a_100000738435_100015361967 [0,1,0,0,0,1|1,0,0]=3 960 B13R1.135 O=C(Cc1ccccc1)C(O)CO 1458a_100011215603_100015291786 [0,1,0,0,0,1|0,0,2]=4 961 B13R1.135 O=C(Nc1ccccc1)C(O)CO 22a_100000106764_100011215603 [0,1,0,0,0,1|0,0,2]=4 962 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Br 11a_100000210019_100009813364 [0,1,0,0,0,1|2,0,0]=4 963 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100009813364 [0,1,0,0,0,1|2,0,0]=4 964 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)C 11a_100000188690_100009813364 [0,1,0,0,0,1|2,0,0]=4 965 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)C 1626a_100000188690_100009813364 [0,1,0,0,0,1|2,0,0]=4 966 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100009813364 [0,1,0,0,0,1|2,0,0]=4 967 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100009813364 [0,1,0,0,0,1|2,0,0]=4 968 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)F 11a_100000210047_100009813364 [0,1,0,0,0,1|2,0,0]=4 969 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)F 1626a_100000210047_100009813364 [0,1,0,0,0,1|2,0,0]=4 970 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)I 11a_100000211102_100009813364 [0,1,0,0,0,1|2,0,0]=4 971 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)I 1626a_100000211102_100009813364 [0,1,0,0,0,1|2,0,0]=4 972 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)O 1626a_100000210217_100009813364 [0,1,0,0,0,1|2,0,0]=4 973 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)Br 1458a_100000185857_100000211773 [0,1,0,0,0,1|2,0,0]=4 974 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)C 1458a_100000185857_100000211840 [0,1,0,0,0,1|2,0,0]=4 975 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)Cl 1458a_100000185857_100000181238 [0,1,0,0,0,1|2,0,0]=4 976 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)F 1458a_100000185857_100000230114 [0,1,0,0,0,1|2,0,0]=4 977 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)I 1458a_100000185857_100011218688 [0,1,0,0,0,1|2,0,0]=4 978 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)O 1458a_100000185857_100011660834 [0,1,0,0,0,1|2,0,0]=4 979 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000185857 [0,1,0,0,0,1|2,0,0]=4 980 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185857 [0,1,0,0,0,1|2,0,0]=4 981 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000185857 [0,1,0,0,0,1|2,0,0]=4 982 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 11a_100000188690_100000185857 [0,1,0,0,0,1|2,0,0]=4 983 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000185857 [0,1,0,0,0,1|2,0,0]=4 984 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 22a_100000188690_100000185857 [0,1,0,0,0,1|2,0,0]=4 985 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000185857 [0,1,0,0,0,1|2,0,0]=4 986 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185857 [0,1,0,0,0,1|2,0,0]=4 987 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185857 [0,1,0,0,0,1|2,0,0]=4 988 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 11a_100000210047_100000185857 [0,1,0,0,0,1|2,0,0]=4 989 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000185857 [0,1,0,0,0,1|2,0,0]=4 990 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 22a_100000210047_100000185857 [0,1,0,0,0,1|2,0,0]=4 991 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 11a_100000211102_100000185857 [0,1,0,0,0,1|2,0,0]=4 992 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000185857 [0,1,0,0,0,1|2,0,0]=4 993 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 22a_100000211102_100000185857 [0,1,0,0,0,1|2,0,0]=4 994 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000185857 [0,1,0,0,0,1|2,0,0]=4 995 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 22a_100000210217_100000185857 [0,1,0,0,0,1|2,0,0]=4 996 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000039160 [0,1,0,0,0,1|2,0,0]=4 997 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000039160 [0,1,0,0,0,1|2,0,0]=4 998 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000039160 [0,1,0,0,0,1|2,0,0]=4 999 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 11a_100000188690_100000039160 [0,1,0,0,0,1|2,0,0]=4 1000 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000039160 [0,1,0,0,0,1|2,0,0]=4 1001 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 22a_100000188690_100000039160 [0,1,0,0,0,1|2,0,0]=4 1002 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000039160 [0,1,0,0,0,1|2,0,0]=4 1003 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000039160 [0,1,0,0,0,1|2,0,0]=4 1004 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000039160 [0,1,0,0,0,1|2,0,0]=4 1005 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 11a_100000210047_100000039160 [0,1,0,0,0,1|2,0,0]=4 1006 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000039160 [0,1,0,0,0,1|2,0,0]=4 1007 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 22a_100000210047_100000039160 [0,1,0,0,0,1|2,0,0]=4 1008 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 11a_100000211102_100000039160 [0,1,0,0,0,1|2,0,0]=4 1009 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000039160 [0,1,0,0,0,1|2,0,0]=4 1010 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 22a_100000211102_100000039160 [0,1,0,0,0,1|2,0,0]=4 1011 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000039160 [0,1,0,0,0,1|2,0,0]=4 1012 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)O 22a_100000210217_100000039160 [0,1,0,0,0,1|2,0,0]=4 1013 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000036797 [0,1,0,0,0,1|2,0,0]=4 1014 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000036797 [0,1,0,0,0,1|2,0,0]=4 1015 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000036797 [0,1,0,0,0,1|2,0,0]=4 1016 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 11a_100000188690_100000036797 [0,1,0,0,0,1|2,0,0]=4 1017 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000036797 [0,1,0,0,0,1|2,0,0]=4 1018 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 22a_100000188690_100000036797 [0,1,0,0,0,1|2,0,0]=4 1019 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000036797 [0,1,0,0,0,1|2,0,0]=4 1020 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000036797 [0,1,0,0,0,1|2,0,0]=4 1021 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000036797 [0,1,0,0,0,1|2,0,0]=4 1022 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 11a_100000210047_100000036797 [0,1,0,0,0,1|2,0,0]=4 1023 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000036797 [0,1,0,0,0,1|2,0,0]=4 1024 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 22a_100000210047_100000036797 [0,1,0,0,0,1|2,0,0]=4 1025 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 11a_100000211102_100000036797 [0,1,0,0,0,1|2,0,0]=4 1026 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000036797 [0,1,0,0,0,1|2,0,0]=4 1027 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 22a_100000211102_100000036797 [0,1,0,0,0,1|2,0,0]=4 1028 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000036797 [0,1,0,0,0,1|2,0,0]=4 1029 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)O 22a_100000210217_100000036797 [0,1,0,0,0,1|2,0,0]=4 1030 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200000210301 [0,1,0,0,0,1|1,0,0]=3 1031 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200000210301 [0,1,0,0,0,1|1,0,0]=3 1032 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)Br 1458a_100000717761_100000211773 [0,1,0,0,0,1|1,0,1]=4 1033 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)Cl 1458a_100000717761_100000181238 [0,1,0,0,0,1|1,0,1]=4 1034 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)F 1458a_100000717761_100000230114 [0,1,0,0,0,1|1,0,1]=4 1035 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)I 1458a_100000717761_100011218688 [0,1,0,0,0,1|1,0,1]=4 1036 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)O 1458a_100000717761_100011660834 [0,1,0,0,0,1|1,0,1]=4 1037 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000717761 [0,1,0,0,0,1|1,0,1]=4 1038 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000717761 [0,1,0,0,0,1|1,0,1]=4 1039 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)F 22a_100000210047_100000717761 [0,1,0,0,0,1|1,0,1]=4 1040 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)I 22a_100000211102_100000717761 [0,1,0,0,0,1|1,0,1]=4 1041 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)O 22a_100000210217_100000717761 [0,1,0,0,0,1|1,0,1]=4 1042 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)Br 1458a_217856618621_100000211773 [0,1,0,0,0,1|1,0,1]=4 1043 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)Cl 1458a_217856618621_100000181238 [0,1,0,0,0,1|1,0,1]=4 1044 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)F 1458a_217856618621_100000230114 [0,1,0,0,0,1|1,0,1]=4 1045 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)I 1458a_217856618621_100011218688 [0,1,0,0,0,1|1,0,1]=4 1046 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)O 1458a_217856618621_100011660834 [0,1,0,0,0,1|1,0,1]=4 1047 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Br 1626a_100000210019_217856618621 [0,1,0,0,0,1|1,0,1]=4 1048 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Br 22a_100000210019_217856618621 [0,1,0,0,0,1|1,0,1]=4 1049 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_217856618621 [0,1,0,0,0,1|1,0,1]=4 1050 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_217856618621 [0,1,0,0,0,1|1,0,1]=4 1051 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)F 1626a_100000210047_217856618621 [0,1,0,0,0,1|1,0,1]=4 1052 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)F 22a_100000210047_217856618621 [0,1,0,0,0,1|1,0,1]=4 1053 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)I 1626a_100000211102_217856618621 [0,1,0,0,0,1|1,0,1]=4 1054 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)I 22a_100000211102_217856618621 [0,1,0,0,0,1|1,0,1]=4 1055 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)O 1626a_100000210217_217856618621 [0,1,0,0,0,1|1,0,1]=4 1056 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)O 22a_100000210217_217856618621 [0,1,0,0,0,1|1,0,1]=4 1057 B13R1.148 Cc1cccc(c1)CC(=O)C(O)O 1458a_100000233687_100000211840 [0,1,0,0,0,1|0,0,2]=4 1058 B13R1.148 Cc1cccc(c1)CC(=O)[C@@H](C)O 1458a_100000717761_100000211840 [0,1,0,0,0,1|1,0,1]=4 1059 B13R1.148 Cc1cccc(c1)CC(=O)[C@H](C)O 1458a_217856618621_100000211840 [0,1,0,0,0,1|1,0,1]=4 1060 B13R1.148 Cc1cccc(c1)NC(=O)C(=O)N 22a_100000188690_100011215815 [0,1,0,0,0,1|1,0,0]=3 1061 B13R1.148 Cc1cccc(c1)NC(=O)C(O)O 22a_100000188690_100000233687 [0,1,0,0,0,1|0,0,2]=4 1062 B13R1.148 Cc1cccc(c1)NC(=O)[C@@H](C)O 22a_100000188690_100000717761 [0,1,0,0,0,1|1,0,1]=4 1063 B13R1.148 Cc1cccc(c1)NC(=O)[C@H](C)O 1626a_100000188690_217856618621 [0,1,0,0,0,1|1,0,1]=4 1064 B13R1.148 Cc1cccc(c1)NC(=O)[C@H](C)O 22a_100000188690_217856618621 [0,1,0,0,0,1|1,0,1]=4 1065 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)Br 22a_100000210019_100011215815 [0,1,0,0,0,1|1,0,0]=3 1066 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100011215815 [0,1,0,0,0,1|1,0,0]=3 1067 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)F 22a_100000210047_100011215815 [0,1,0,0,0,1|1,0,0]=3 1068 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)I 22a_100000211102_100011215815 [0,1,0,0,0,1|1,0,0]=3 1069 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)O 22a_100000210217_100011215815 [0,1,0,0,0,1|1,0,0]=3 1070 B13R1.148 O=C(Cc1cccc(c1)Br)C(O)O 1458a_100000233687_100000211773 [0,1,0,0,0,1|0,0,2]=4 1071 B13R1.148 O=C(Cc1cccc(c1)Cl)C(O)O 1458a_100000233687_100000181238 [0,1,0,0,0,1|0,0,2]=4 1072 B13R1.148 O=C(Cc1cccc(c1)F)C(O)O 1458a_100000233687_100000230114 [0,1,0,0,0,1|0,0,2]=4 1073 B13R1.148 O=C(Cc1cccc(c1)I)C(O)O 1458a_100000233687_100011218688 [0,1,0,0,0,1|0,0,2]=4 1074 B13R1.148 O=C(Cc1cccc(c1)O)C(O)O 1458a_100000233687_100011660834 [0,1,0,0,0,1|0,0,2]=4 1075 B13R1.148 O=C(Nc1cccc(c1)Br)C(O)O 22a_100000210019_100000233687 [0,1,0,0,0,1|0,0,2]=4 1076 B13R1.148 O=C(Nc1cccc(c1)Cl)C(O)O 22a_100000185859_100000233687 [0,1,0,0,0,1|0,0,2]=4 1077 B13R1.148 O=C(Nc1cccc(c1)F)C(O)O 22a_100000210047_100000233687 [0,1,0,0,0,1|0,0,2]=4 1078 B13R1.148 O=C(Nc1cccc(c1)I)C(O)O 22a_100000211102_100000233687 [0,1,0,0,0,1|0,0,2]=4 1079 B13R1.148 O=C(Nc1cccc(c1)O)C(O)O 22a_100000210217_100000233687 [0,1,0,0,0,1|0,0,2]=4 1080 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200025704644 [0,1,0,0,0,1|1,0,0]=3 1081 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200025704644 [0,1,0,0,0,1|1,0,0]=3 1082 B13R1.152 C=C(Br)C(=O)N(C)c1ccccc1 11a_100000210012_100009813364 [0,1,0,0,0,1|2,0,0]=4 1083 B13R1.152 C=C(Br)C(=O)N(C)c1ccccc1 1626a_100000210012_100009813364 [0,1,0,0,0,1|2,0,0]=4 1084 B13R1.152 C=C(C)C(=O)C(C)c1ccccc1 1458a_100000185857_100000230085 [0,1,0,0,0,1|2,0,0]=4 1085 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 11a_100000210012_100000185857 [0,1,0,0,0,1|2,0,0]=4 1086 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 1626a_100000210012_100000185857 [0,1,0,0,0,1|2,0,0]=4 1087 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 22a_100000210012_100000185857 [0,1,0,0,0,1|2,0,0]=4 1088 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 11a_100000210012_100000039160 [0,1,0,0,0,1|2,0,0]=4 1089 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 1626a_100000210012_100000039160 [0,1,0,0,0,1|2,0,0]=4 1090 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 22a_100000210012_100000039160 [0,1,0,0,0,1|2,0,0]=4 1091 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 11a_100000210012_100000036797 [0,1,0,0,0,1|2,0,0]=4 1092 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 1626a_100000210012_100000036797 [0,1,0,0,0,1|2,0,0]=4 1093 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 22a_100000210012_100000036797 [0,1,0,0,0,1|2,0,0]=4 1094 B13R1.152 CC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_200000210301 [0,1,0,0,0,1|1,0,0]=3 1095 B13R1.152 CC(C(=O)C(O)O)c1ccccc1 1458a_100000233687_100000230085 [0,1,0,0,0,1|0,0,2]=4 1096 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 269956a_100000189636_200000210301 [0,1,0,0,0,1|1,0,1]=4 1097 B13R1.152 CC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000189636_200025704644 [0,1,0,0,0,1|1,0,1]=4 1098 B13R1.152 CC(C(=O)[C@@H](C)O)c1ccccc1 1458a_100000717761_100000230085 [0,1,0,0,0,1|1,0,1]=4 1099 B13R1.152 CC(C(=O)[C@H](C)O)c1ccccc1 1458a_217856618621_100000230085 [0,1,0,0,0,1|1,0,1]=4 1100 B13R1.152 CN(C(=O)C(=O)N)c1ccccc1 22a_100000210012_100011215815 [0,1,0,0,0,1|1,0,0]=3 1101 B13R1.152 CN(C(=O)C(=O)[13CH3])c1ccccc1 1458a_100011297159_200025704644 [0,1,0,0,0,1|1,0,0]=3 1102 B13R1.152 CN(C(=O)C(O)O)c1ccccc1 22a_100000210012_100000233687 [0,1,0,0,0,1|0,0,2]=4 1103 B13R1.152 C[C@@H](O)C(=O)N(C)c1ccccc1 22a_100000210012_100000717761 [0,1,0,0,0,1|1,0,1]=4 1104 B13R1.152 C[C@H](O)C(=O)N(C)c1ccccc1 1626a_100000210012_217856618621 [0,1,0,0,0,1|1,0,1]=4 1105 B13R1.152 C[C@H](O)C(=O)N(C)c1ccccc1 22a_100000210012_217856618621 [0,1,0,0,0,1|1,0,1]=4 1106 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Br 11a_100000210017_100009813364 [0,1,0,0,0,1|2,0,0]=4 1107 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Br 1626a_100000210017_100009813364 [0,1,0,0,0,1|2,0,0]=4 1108 B13R1.202 C=C(Br)C(=O)Nc1ccccc1C 11a_100015192222_100009813364 [0,1,0,0,0,1|2,0,0]=4 1109 B13R1.202 C=C(Br)C(=O)Nc1ccccc1C 1626a_100015192222_100009813364 [0,1,0,0,0,1|2,0,0]=4 1110 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Cl 11a_100000185783_100009813364 [0,1,0,0,0,1|2,0,0]=4 1111 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Cl 1626a_100000185783_100009813364 [0,1,0,0,0,1|2,0,0]=4 1112 B13R1.202 C=C(Br)C(=O)Nc1ccccc1F 11a_100000210422_100009813364 [0,1,0,0,0,1|2,0,0]=4 1113 B13R1.202 C=C(Br)C(=O)Nc1ccccc1F 1626a_100000210422_100009813364 [0,1,0,0,0,1|2,0,0]=4 1114 B13R1.202 C=C(Br)C(=O)Nc1ccccc1I 11a_100000210053_100009813364 [0,1,0,0,0,1|2,0,0]=4 1115 B13R1.202 C=C(Br)C(=O)Nc1ccccc1I 1626a_100000210053_100009813364 [0,1,0,0,0,1|2,0,0]=4 1116 B13R1.202 C=C(C)C(=O)Cc1ccccc1Br 1458a_100000185857_100000184730 [0,1,0,0,0,1|2,0,0]=4 1117 B13R1.202 C=C(C)C(=O)Cc1ccccc1C 1458a_100000185857_100000211839 [0,1,0,0,0,1|2,0,0]=4 1118 B13R1.202 C=C(C)C(=O)Cc1ccccc1Cl 1458a_100000185857_100000187162 [0,1,0,0,0,1|2,0,0]=4 1119 B13R1.202 C=C(C)C(=O)Cc1ccccc1F 1458a_100000185857_100000187165 [0,1,0,0,0,1|2,0,0]=4 1120 B13R1.202 C=C(C)C(=O)Cc1ccccc1I 1458a_100000185857_100011216222 [0,1,0,0,0,1|2,0,0]=4 1121 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 11a_100000210017_100000185857 [0,1,0,0,0,1|2,0,0]=4 1122 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 1626a_100000210017_100000185857 [0,1,0,0,0,1|2,0,0]=4 1123 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 11a_100015192222_100000185857 [0,1,0,0,0,1|2,0,0]=4 1124 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 1626a_100015192222_100000185857 [0,1,0,0,0,1|2,0,0]=4 1125 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 22a_100015192222_100000185857 [0,1,0,0,0,1|2,0,0]=4 1126 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 11a_100000185783_100000185857 [0,1,0,0,0,1|2,0,0]=4 1127 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000185857 [0,1,0,0,0,1|2,0,0]=4 1128 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 22a_100000185783_100000185857 [0,1,0,0,0,1|2,0,0]=4 1129 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 11a_100000210422_100000185857 [0,1,0,0,0,1|2,0,0]=4 1130 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 1626a_100000210422_100000185857 [0,1,0,0,0,1|2,0,0]=4 1131 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 22a_100000210422_100000185857 [0,1,0,0,0,1|2,0,0]=4 1132 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 11a_100000210053_100000185857 [0,1,0,0,0,1|2,0,0]=4 1133 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 1626a_100000210053_100000185857 [0,1,0,0,0,1|2,0,0]=4 1134 B13R1.202 C=C(C)C(=O)Nc1ccccc1O 22a_100000185747_100000185857 [0,1,0,0,0,1|2,0,0]=4 1135 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Br 11a_100000210017_100000039160 [0,1,0,0,0,1|2,0,0]=4 1136 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Br 1626a_100000210017_100000039160 [0,1,0,0,0,1|2,0,0]=4 1137 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 11a_100015192222_100000039160 [0,1,0,0,0,1|2,0,0]=4 1138 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 1626a_100015192222_100000039160 [0,1,0,0,0,1|2,0,0]=4 1139 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 22a_100015192222_100000039160 [0,1,0,0,0,1|2,0,0]=4 1140 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 11a_100000185783_100000039160 [0,1,0,0,0,1|2,0,0]=4 1141 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000039160 [0,1,0,0,0,1|2,0,0]=4 1142 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 22a_100000185783_100000039160 [0,1,0,0,0,1|2,0,0]=4 1143 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 11a_100000210422_100000039160 [0,1,0,0,0,1|2,0,0]=4 1144 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 1626a_100000210422_100000039160 [0,1,0,0,0,1|2,0,0]=4 1145 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 22a_100000210422_100000039160 [0,1,0,0,0,1|2,0,0]=4 1146 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1I 11a_100000210053_100000039160 [0,1,0,0,0,1|2,0,0]=4 1147 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1I 1626a_100000210053_100000039160 [0,1,0,0,0,1|2,0,0]=4 1148 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1O 22a_100000185747_100000039160 [0,1,0,0,0,1|2,0,0]=4 1149 B13R1.202 C=C(F)C(=O)Nc1ccccc1Br 11a_100000210017_100000036797 [0,1,0,0,0,1|2,0,0]=4 1150 B13R1.202 C=C(F)C(=O)Nc1ccccc1Br 1626a_100000210017_100000036797 [0,1,0,0,0,1|2,0,0]=4 1151 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 11a_100015192222_100000036797 [0,1,0,0,0,1|2,0,0]=4 1152 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 1626a_100015192222_100000036797 [0,1,0,0,0,1|2,0,0]=4 1153 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 22a_100015192222_100000036797 [0,1,0,0,0,1|2,0,0]=4 1154 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 11a_100000185783_100000036797 [0,1,0,0,0,1|2,0,0]=4 1155 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000036797 [0,1,0,0,0,1|2,0,0]=4 1156 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 22a_100000185783_100000036797 [0,1,0,0,0,1|2,0,0]=4 1157 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 11a_100000210422_100000036797 [0,1,0,0,0,1|2,0,0]=4 1158 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 1626a_100000210422_100000036797 [0,1,0,0,0,1|2,0,0]=4 1159 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 22a_100000210422_100000036797 [0,1,0,0,0,1|2,0,0]=4 1160 B13R1.202 C=C(F)C(=O)Nc1ccccc1I 11a_100000210053_100000036797 [0,1,0,0,0,1|2,0,0]=4 1161 B13R1.202 C=C(F)C(=O)Nc1ccccc1I 1626a_100000210053_100000036797 [0,1,0,0,0,1|2,0,0]=4 1162 B13R1.202 C=C(F)C(=O)Nc1ccccc1O 22a_100000185747_100000036797 [0,1,0,0,0,1|2,0,0]=4 1163 B13R1.202 CC(=Cc1ccccc1Cl)C(=O)[13CH3] 1458a_100000693296_200025704644 [0,1,0,0,0,1|2,0,0]=4 1164 B13R1.202 CC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_200000210301 [0,1,0,0,0,1|2,0,0]=4 1165 B13R1.202 CC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_200000210301 [0,1,0,0,0,1|1,0,0]=3 1166 B13R1.202 CC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200000210301 [0,1,0,0,0,1|1,0,0]=3 1167 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1Br 1458a_100000717761_100000184730 [0,1,0,0,0,1|1,0,1]=4 1168 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1Cl 1458a_100000717761_100000187162 [0,1,0,0,0,1|1,0,1]=4 1169 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1F 1458a_100000717761_100000187165 [0,1,0,0,0,1|1,0,1]=4 1170 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1I 1458a_100000717761_100011216222 [0,1,0,0,0,1|1,0,1]=4 1171 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_100000717761 [0,1,0,0,0,1|1,0,1]=4 1172 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1F 22a_100000210422_100000717761 [0,1,0,0,0,1|1,0,1]=4 1173 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1O 22a_100000185747_100000717761 [0,1,0,0,0,1|1,0,1]=4 1174 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1Br 1458a_217856618621_100000184730 [0,1,0,0,0,1|1,0,1]=4 1175 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1Cl 1458a_217856618621_100000187162 [0,1,0,0,0,1|1,0,1]=4 1176 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1F 1458a_217856618621_100000187165 [0,1,0,0,0,1|1,0,1]=4 1177 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1I 1458a_217856618621_100011216222 [0,1,0,0,0,1|1,0,1]=4 1178 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Br 1626a_100000210017_217856618621 [0,1,0,0,0,1|1,0,1]=4 1179 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 1626a_100000185783_217856618621 [0,1,0,0,0,1|1,0,1]=4 1180 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_217856618621 [0,1,0,0,0,1|1,0,1]=4 1181 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 1626a_100000210422_217856618621 [0,1,0,0,0,1|1,0,1]=4 1182 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 22a_100000210422_217856618621 [0,1,0,0,0,1|1,0,1]=4 1183 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1I 1626a_100000210053_217856618621 [0,1,0,0,0,1|1,0,1]=4 1184 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1O 22a_100000185747_217856618621 [0,1,0,0,0,1|1,0,1]=4 1185 B13R1.202 Cc1ccccc1CC(=O)C(O)O 1458a_100000233687_100000211839 [0,1,0,0,0,1|0,0,2]=4 1186 B13R1.202 Cc1ccccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000211839 [0,1,0,0,0,1|1,0,1]=4 1187 B13R1.202 Cc1ccccc1CC(=O)[C@H](C)O 1458a_217856618621_100000211839 [0,1,0,0,0,1|1,0,1]=4 1188 B13R1.202 Cc1ccccc1NC(=O)C(=O)N 22a_100015192222_100011215815 [0,1,0,0,0,1|1,0,0]=3 1189 B13R1.202 Cc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297352_200025704644 [0,1,0,0,0,1|1,0,0]=3 1190 B13R1.202 Cc1ccccc1NC(=O)C(O)O 22a_100015192222_100000233687 [0,1,0,0,0,1|0,0,2]=4 1191 B13R1.202 Cc1ccccc1NC(=O)[C@@H](C)O 22a_100015192222_100000717761 [0,1,0,0,0,1|1,0,1]=4 1192 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 1626a_100015192222_217856618621 [0,1,0,0,0,1|1,0,1]=4 1193 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 22a_100015192222_217856618621 [0,1,0,0,0,1|1,0,1]=4 1194 B13R1.202 NC(=O)C(=O)Nc1ccccc1Cl 22a_100000185783_100011215815 [0,1,0,0,0,1|1,0,0]=3 1195 B13R1.202 NC(=O)C(=O)Nc1ccccc1F 22a_100000210422_100011215815 [0,1,0,0,0,1|1,0,0]=3 1196 B13R1.202 NC(=O)C(=O)Nc1ccccc1O 22a_100000185747_100011215815 [0,1,0,0,0,1|1,0,0]=3 1197 B13R1.202 O=C(Cc1ccccc1Br)C(O)O 1458a_100000233687_100000184730 [0,1,0,0,0,1|0,0,2]=4 1198 B13R1.202 O=C(Cc1ccccc1Cl)C(O)O 1458a_100000233687_100000187162 [0,1,0,0,0,1|0,0,2]=4 1199 B13R1.202 O=C(Cc1ccccc1F)C(O)O 1458a_100000233687_100000187165 [0,1,0,0,0,1|0,0,2]=4 1200 B13R1.202 O=C(Cc1ccccc1I)C(O)O 1458a_100000233687_100011216222 [0,1,0,0,0,1|0,0,2]=4 1201 B13R1.202 O=C(Nc1ccccc1Cl)C(O)O 22a_100000185783_100000233687 [0,1,0,0,0,1|0,0,2]=4 1202 B13R1.202 O=C(Nc1ccccc1F)C(O)O 22a_100000210422_100000233687 [0,1,0,0,0,1|0,0,2]=4 1203 B13R1.202 O=C(Nc1ccccc1O)C(O)O 22a_100000185747_100000233687 [0,1,0,0,0,1|0,0,2]=4 1204 B13R1.202 [13CH3]C(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200025704644 [0,1,0,0,0,1|1,0,0]=3 1205 B13R1.353 CC(C)(O)C(=O)Cc1ccccc1 1458a_100000242741_100015291786 [0,1,0,0,0,1|1,0,1]=4 1206 B13R1.353 CC(C)(O)C(=O)Nc1ccccc1 22a_100000106764_100000242741 [0,1,0,0,0,1|1,0,1]=4 1207 B13R1.418 CC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200000210301 [0,1,0,0,0,1|2,0,0]=4 1208 B13R1.418 [13CH3]C(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200025704644 [0,1,0,0,0,1|2,0,0]=4 1209 B13R1.11 C#CC(=O)CC(=O)c1ccccc1 1458a_100000211873_100000211460 [0,1,0,0,0,1|1,0,0]=3 1210 B13R1.11 C#CC(=O)CC(=O)c1ccccn1 1458a_100000211873_100000027445 [0,1,0,0,0,1|2,0,0]=4 1211 B13R1.11 C#CC(=O)CC(=O)c1cccnc1 1458a_100000211873_100015188593 [0,1,0,0,0,1|2,0,0]=4 1212 B13R1.11 C#CC(=O)CC(=O)c1ccncc1 1458a_100000211873_100000027454 [0,1,0,0,0,1|2,0,0]=4 1213 B13R1.11 C=C(C#N)CC(=O)c1ccccc1 1458a_100000185807_100000694840 [0,1,0,0,0,1|2,0,0]=4 1214 B13R1.11 C=CC(=O)CC(=O)c1ccccc1 1458a_100000185746_100000211460 [0,1,0,0,0,1|1,0,0]=3 1215 B13R1.11 C=CC(=O)CC(=O)c1ccccn1 1458a_100000185746_100000027445 [0,1,0,0,0,1|2,0,0]=4 1216 B13R1.11 C=CC(=O)CC(=O)c1cccnc1 1458a_100000185746_100015188593 [0,1,0,0,0,1|2,0,0]=4 1217 B13R1.11 C=CC(=O)CC(=O)c1ccncc1 1458a_100000185746_100000027454 [0,1,0,0,0,1|2,0,0]=4 1218 B13R1.11 CC(=CC(=O)CF)c1ccccc1 1458a_100000743005_100015361967 [0,1,0,0,0,1|2,0,0]=4 1219 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [0,1,0,0,0,1|1,0,1]=4 1220 B13R1.11 CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210202 [0,1,0,0,0,1|2,0,0]=4 1221 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747405 [0,1,0,0,0,1|1,0,0]=3 1222 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000210414_100000211460 [0,1,0,0,0,1|1,0,0]=3 1223 B13R1.11 CCC(=O)CC(=O)c1ccccn1 1458a_100000210414_100000027445 [0,1,0,0,0,1|2,0,0]=4 1224 B13R1.11 CCC(=O)CC(=O)c1cccnc1 1458a_100000210414_100015188593 [0,1,0,0,0,1|2,0,0]=4 1225 B13R1.11 CCC(=O)CC(=O)c1ccncc1 1458a_100000210414_100000027454 [0,1,0,0,0,1|2,0,0]=4 1226 B13R1.11 CCC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218378 [0,1,0,0,0,1|1,0,1]=4 1227 B13R1.11 CNC(=O)C=C(C)c1ccccc1 11a_106832991635_100000743005 [0,1,0,0,0,1|2,0,0]=4 1228 B13R1.11 CNC(=O)C=C(C)c1ccccc1 1626a_100102657272_100000743005 [0,1,0,0,0,1|2,0,0]=4 1229 B13R1.11 CNC(=O)C=C(C)c1ccccc1 240690a_100102657272_100000743005 [0,1,0,0,0,1|2,0,0]=4 1230 B13R1.11 CNC(=O)C=C(C)c1ccccc1 527a_100102657272_100000743005 [0,1,0,0,0,1|2,0,0]=4 1231 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183359 [0,1,0,0,0,1|1,0,0]=3 1232 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [0,1,0,0,0,1|0,0,0]=2 1233 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747449 [0,1,0,0,0,1|2,0,0]=4 1234 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000757779_200000210301 [0,1,0,0,0,1|2,0,0]=4 1235 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747449 [0,1,0,0,0,1|2,0,0]=4 1236 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000757779_200000210301 [0,1,0,0,0,1|2,0,0]=4 1237 B13R1.11 COC(=O)CN(C)c1ccccc1 34a_100000210012_100000747449 [0,1,0,0,0,1|2,0,0]=4 1238 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 2230a_100000757779_200025704644 [0,1,0,0,0,1|2,0,0]=4 1239 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 269982a_100000757779_200025704644 [0,1,0,0,0,1|2,0,0]=4 1240 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [0,1,0,0,0,1|1,0,1]=4 1241 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 240690a_100000751104_100000210174 [0,1,0,0,0,1|1,0,1]=4 1242 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 527a_100000751104_100000210174 [0,1,0,0,0,1|1,0,1]=4 1243 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 240690a_100000737577_100000185807 [0,1,0,0,0,1|1,0,1]=4 1244 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 527a_100000737577_100000185807 [0,1,0,0,0,1|1,0,1]=4 1245 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [0,1,0,0,0,1|0,0,0]=2 1246 B13R1.11 O=C(CO)CC(=O)c1ccccn1 1458a_100000210174_100000027445 [0,1,0,0,0,1|1,0,0]=3 1247 B13R1.11 O=C(CO)CC(=O)c1cccnc1 1458a_100000210174_100015188593 [0,1,0,0,0,1|1,0,0]=3 1248 B13R1.11 O=C(CO)CC(=O)c1ccncc1 1458a_100000210174_100000027454 [0,1,0,0,0,1|1,0,0]=3 1249 B13R1.11 O=C(CO)CC(=O)c1ncccn1 1458a_100000210174_100020636365 [0,1,0,0,0,1|2,0,0]=4 1250 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [0,1,0,0,0,1|0,0,2]=4 1251 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [0,1,0,0,0,1|0,0,2]=4 1252 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000748629 [0,1,0,0,0,1|2,0,0]=4 1253 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000748629 [0,1,0,0,0,1|2,0,0]=4 1254 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000748629 [0,1,0,0,0,1|2,0,0]=4 1255 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000748629 [0,1,0,0,0,1|2,0,0]=4 1256 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000748629 [0,1,0,0,0,1|2,0,0]=4 1257 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000748629 [0,1,0,0,0,1|2,0,0]=4 1258 B13R1.132 C=C(F)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100009893438 [0,1,0,0,0,1|2,0,0]=4 1259 B13R1.132 C=C(F)CC(=O)c1ccc(cc1)C 1458a_100000188618_100009893438 [0,1,0,0,0,1|2,0,0]=4 1260 B13R1.132 C=C(F)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100009893438 [0,1,0,0,0,1|2,0,0]=4 1261 B13R1.132 C=C(F)CC(=O)c1ccc(cc1)F 1458a_100000187176_100009893438 [0,1,0,0,0,1|2,0,0]=4 1262 B13R1.132 C=C(F)CC(=O)c1ccc(cc1)I 1458a_100000187904_100009893438 [0,1,0,0,0,1|2,0,0]=4 1263 B13R1.132 C=C(F)CC(=O)c1ccc(cc1)O 1458a_100000212099_100009893438 [0,1,0,0,0,1|2,0,0]=4 1264 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000070787_100000188085 [0,1,0,0,0,1|1,0,0]=3 1265 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000070787_100000211441 [0,1,0,0,0,1|1,0,0]=3 1266 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000070787_100000211071 [0,1,0,0,0,1|1,0,0]=3 1267 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000070787_100000211279 [0,1,0,0,0,1|1,0,0]=3 1268 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000070787_100011216261 [0,1,0,0,0,1|1,0,0]=3 1269 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000070787_100009814261 [0,1,0,0,0,1|1,0,0]=3 1270 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100000184285 [0,1,0,0,0,1|1,0,0]=3 1271 B13R1.132 CC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100000070787_100016989621 [0,1,0,0,0,1|2,0,0]=4 1272 B13R1.132 CC(=O)CC(=O)c1ccc(nc1)C 1458a_100000070787_100012027583 [0,1,0,0,0,1|2,0,0]=4 1273 B13R1.132 CC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100000070787_100009864725 [0,1,0,0,0,1|2,0,0]=4 1274 B13R1.132 CC(O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100011218427 [0,1,0,0,0,1|1,0,1]=4 1275 B13R1.132 CC(O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011218427 [0,1,0,0,0,1|1,0,1]=4 1276 B13R1.132 CC(O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100011218427 [0,1,0,0,0,1|1,0,1]=4 1277 B13R1.132 CC(O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100011218427 [0,1,0,0,0,1|1,0,1]=4 1278 B13R1.132 CC(O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011218427 [0,1,0,0,0,1|1,0,1]=4 1279 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200000210301 [0,1,0,0,0,1|2,0,0]=4 1280 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000210301 [0,1,0,0,0,1|2,0,0]=4 1281 B13R1.132 CN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200000210301 [0,1,0,0,0,1|2,0,0]=4 1282 B13R1.132 CN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200000210301 [0,1,0,0,0,1|2,0,0]=4 1283 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)N 1458a_100000188618_100000187820 [0,1,0,0,0,1|1,0,0]=3 1284 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)[O-] 1458a_100000188618_100020667443 [0,1,0,0,0,1|0,0,1]=3 1285 B13R1.132 Cc1ccc(cc1)C(=O)CC(C)O 1458a_100000188618_100011218427 [0,1,0,0,0,1|1,0,1]=4 1286 B13R1.132 Cc1ccc(cc1)C(=O)C[N+](=O)[O-] 1458a_100000188618_100000761209 [0,1,0,0,0,1|1,0,1]=4 1287 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000187820 [0,1,0,0,0,1|1,0,0]=3 1288 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000187820 [0,1,0,0,0,1|1,0,0]=3 1289 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000187820 [0,1,0,0,0,1|1,0,0]=3 1290 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000187820 [0,1,0,0,0,1|1,0,0]=3 1291 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000187820 [0,1,0,0,0,1|1,0,0]=3 1292 B13R1.132 O=C(C[N+](=O)[O-])c1ccc(cc1)Br 1458a_100000185839_100000761209 [0,1,0,0,0,1|1,0,1]=4 1293 B13R1.132 O=C(C[N+](=O)[O-])c1ccc(cc1)Cl 1458a_100000210187_100000761209 [0,1,0,0,0,1|1,0,1]=4 1294 B13R1.132 O=C(C[N+](=O)[O-])c1ccc(cc1)F 1458a_100000187176_100000761209 [0,1,0,0,0,1|1,0,1]=4 1295 B13R1.132 O=C(C[N+](=O)[O-])c1ccc(cc1)I 1458a_100000187904_100000761209 [0,1,0,0,0,1|1,0,1]=4 1296 B13R1.132 O=C(C[N+](=O)[O-])c1ccc(cc1)O 1458a_100000212099_100000761209 [0,1,0,0,0,1|1,0,1]=4 1297 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)Br 1458a_100000185839_100020667443 [0,1,0,0,0,1|0,0,1]=3 1298 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100020667443 [0,1,0,0,0,1|0,0,1]=3 1299 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)F 1458a_100000187176_100020667443 [0,1,0,0,0,1|0,0,1]=3 1300 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)I 1458a_100000187904_100020667443 [0,1,0,0,0,1|0,0,1]=3 1301 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)O 1458a_100000212099_100020667443 [0,1,0,0,0,1|0,0,1]=3 1302 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200025704644 [0,1,0,0,0,1|2,0,0]=4 1303 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200025704644 [0,1,0,0,0,1|2,0,0]=4 1304 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200025704644 [0,1,0,0,0,1|2,0,0]=4 1305 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200025704644 [0,1,0,0,0,1|2,0,0]=4 1306 B13R1.147 C=C(C)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000748629 [0,1,0,0,0,1|2,0,0]=4 1307 B13R1.147 C=C(C)CC(=O)c1cccc(c1)C 1458a_100000189346_100000748629 [0,1,0,0,0,1|2,0,0]=4 1308 B13R1.147 C=C(C)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000748629 [0,1,0,0,0,1|2,0,0]=4 1309 B13R1.147 C=C(C)CC(=O)c1cccc(c1)F 1458a_100000210950_100000748629 [0,1,0,0,0,1|2,0,0]=4 1310 B13R1.147 C=C(C)CC(=O)c1cccc(c1)I 1458a_100000184098_100000748629 [0,1,0,0,0,1|2,0,0]=4 1311 B13R1.147 C=C(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100000748629 [0,1,0,0,0,1|2,0,0]=4 1312 B13R1.147 C=C(F)CC(=O)c1cccc(c1)Br 1458a_100000210664_100009893438 [0,1,0,0,0,1|2,0,0]=4 1313 B13R1.147 C=C(F)CC(=O)c1cccc(c1)C 1458a_100000189346_100009893438 [0,1,0,0,0,1|2,0,0]=4 1314 B13R1.147 C=C(F)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100009893438 [0,1,0,0,0,1|2,0,0]=4 1315 B13R1.147 C=C(F)CC(=O)c1cccc(c1)F 1458a_100000210950_100009893438 [0,1,0,0,0,1|2,0,0]=4 1316 B13R1.147 C=C(F)CC(=O)c1cccc(c1)I 1458a_100000184098_100009893438 [0,1,0,0,0,1|2,0,0]=4 1317 B13R1.147 C=C(F)CC(=O)c1cccc(c1)O 1458a_100000183914_100009893438 [0,1,0,0,0,1|2,0,0]=4 1318 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000070787_100000212080 [0,1,0,0,0,1|1,0,0]=3 1319 B13R1.147 CC(=O)CC(=O)c1cccc(c1)C 1458a_100000070787_100000739480 [0,1,0,0,0,1|1,0,0]=3 1320 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000070787_100000211444 [0,1,0,0,0,1|1,0,0]=3 1321 B13R1.147 CC(=O)CC(=O)c1cccc(c1)F 1458a_100000070787_100000215616 [0,1,0,0,0,1|1,0,0]=3 1322 B13R1.147 CC(=O)CC(=O)c1cccc(c1)O 1458a_100000070787_100009813753 [0,1,0,0,0,1|1,0,0]=3 1323 B13R1.147 CC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000070787_100009817076 [0,1,0,0,0,1|2,0,0]=4 1324 B13R1.147 CC(O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100011218427 [0,1,0,0,0,1|1,0,1]=4 1325 B13R1.147 CC(O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100011218427 [0,1,0,0,0,1|1,0,1]=4 1326 B13R1.147 CC(O)CC(=O)c1cccc(c1)F 1458a_100000210950_100011218427 [0,1,0,0,0,1|1,0,1]=4 1327 B13R1.147 CC(O)CC(=O)c1cccc(c1)I 1458a_100000184098_100011218427 [0,1,0,0,0,1|1,0,1]=4 1328 B13R1.147 CC(O)CC(=O)c1cccc(c1)O 1458a_100000183914_100011218427 [0,1,0,0,0,1|1,0,1]=4 1329 B13R1.147 CN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200000210301 [0,1,0,0,0,1|2,0,0]=4 1330 B13R1.147 CN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200000210301 [0,1,0,0,0,1|2,0,0]=4 1331 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)N 1458a_100000189346_100000187820 [0,1,0,0,0,1|1,0,0]=3 1332 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)[O-] 1458a_100000189346_100020667443 [0,1,0,0,0,1|0,0,1]=3 1333 B13R1.147 Cc1cccc(c1)C(=O)CC(C)O 1458a_100000189346_100011218427 [0,1,0,0,0,1|1,0,1]=4 1334 B13R1.147 Cc1cccc(c1)C(=O)C[N+](=O)[O-] 1458a_100000189346_100000761209 [0,1,0,0,0,1|1,0,1]=4 1335 B13R1.147 NC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000187820 [0,1,0,0,0,1|1,0,0]=3 1336 B13R1.147 NC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000187820 [0,1,0,0,0,1|1,0,0]=3 1337 B13R1.147 NC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000187820 [0,1,0,0,0,1|1,0,0]=3 1338 B13R1.147 NC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000187820 [0,1,0,0,0,1|1,0,0]=3 1339 B13R1.147 NC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000187820 [0,1,0,0,0,1|1,0,0]=3 1340 B13R1.147 O=C(C[N+](=O)[O-])c1cccc(c1)Br 1458a_100000210664_100000761209 [0,1,0,0,0,1|1,0,1]=4 1341 B13R1.147 O=C(C[N+](=O)[O-])c1cccc(c1)Cl 1458a_100000210390_100000761209 [0,1,0,0,0,1|1,0,1]=4 1342 B13R1.147 O=C(C[N+](=O)[O-])c1cccc(c1)F 1458a_100000210950_100000761209 [0,1,0,0,0,1|1,0,1]=4 1343 B13R1.147 O=C(C[N+](=O)[O-])c1cccc(c1)I 1458a_100000184098_100000761209 [0,1,0,0,0,1|1,0,1]=4 1344 B13R1.147 O=C(C[N+](=O)[O-])c1cccc(c1)O 1458a_100000183914_100000761209 [0,1,0,0,0,1|1,0,1]=4 1345 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)Br 1458a_100000210664_100020667443 [0,1,0,0,0,1|0,0,1]=3 1346 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)Cl 1458a_100000210390_100020667443 [0,1,0,0,0,1|0,0,1]=3 1347 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)F 1458a_100000210950_100020667443 [0,1,0,0,0,1|0,0,1]=3 1348 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)I 1458a_100000184098_100020667443 [0,1,0,0,0,1|0,0,1]=3 1349 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)O 1458a_100000183914_100020667443 [0,1,0,0,0,1|0,0,1]=3 1350 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200025704644 [0,1,0,0,0,1|2,0,0]=4 1351 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200025704644 [0,1,0,0,0,1|2,0,0]=4 1352 B13R1.201 C=C(C)CC(=O)c1ccccc1Br 1458a_100000188424_100000748629 [0,1,0,0,0,1|2,0,0]=4 1353 B13R1.201 C=C(C)CC(=O)c1ccccc1C 1458a_100000212026_100000748629 [0,1,0,0,0,1|2,0,0]=4 1354 B13R1.201 C=C(C)CC(=O)c1ccccc1Cl 1458a_100000185844_100000748629 [0,1,0,0,0,1|2,0,0]=4 1355 B13R1.201 C=C(C)CC(=O)c1ccccc1F 1458a_100000188656_100000748629 [0,1,0,0,0,1|2,0,0]=4 1356 B13R1.201 C=C(C)CC(=O)c1ccccc1I 1458a_100000187884_100000748629 [0,1,0,0,0,1|2,0,0]=4 1357 B13R1.201 C=C(C)CC(=O)c1ccccc1O 1458a_100015234032_100000748629 [0,1,0,0,0,1|2,0,0]=4 1358 B13R1.201 C=C(C)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000748629 [0,1,0,0,0,1|2,0,0]=4 1359 B13R1.201 C=C(F)CC(=O)c1ccccc1Br 1458a_100000188424_100009893438 [0,1,0,0,0,1|2,0,0]=4 1360 B13R1.201 C=C(F)CC(=O)c1ccccc1C 1458a_100000212026_100009893438 [0,1,0,0,0,1|2,0,0]=4 1361 B13R1.201 C=C(F)CC(=O)c1ccccc1Cl 1458a_100000185844_100009893438 [0,1,0,0,0,1|2,0,0]=4 1362 B13R1.201 C=C(F)CC(=O)c1ccccc1F 1458a_100000188656_100009893438 [0,1,0,0,0,1|2,0,0]=4 1363 B13R1.201 C=C(F)CC(=O)c1ccccc1I 1458a_100000187884_100009893438 [0,1,0,0,0,1|2,0,0]=4 1364 B13R1.201 C=C(F)CC(=O)c1ccccc1O 1458a_100015234032_100009893438 [0,1,0,0,0,1|2,0,0]=4 1365 B13R1.201 C=C(F)CC(=O)c1ccccc1[O-] 1458a_100009911694_100009893438 [0,1,0,0,0,1|2,0,0]=4 1366 B13R1.201 CC(=O)CC(=O)c1ccccc1Br 1458a_100000070787_100000199116 [0,1,0,0,0,1|1,0,0]=3 1367 B13R1.201 CC(=O)CC(=O)c1ccccc1C 1458a_100000070787_100000741374 [0,1,0,0,0,1|1,0,0]=3 1368 B13R1.201 CC(=O)CC(=O)c1ccccc1Cl 1458a_100000070787_100000211432 [0,1,0,0,0,1|1,0,0]=3 1369 B13R1.201 CC(=O)CC(=O)c1ccccc1F 1458a_100000070787_100000204681 [0,1,0,0,0,1|1,0,0]=3 1370 B13R1.201 CC(=O)CC(=O)c1ccccc1O 1458a_100000070787_100000188908 [0,1,0,0,0,1|1,0,0]=3 1371 B13R1.201 CC(=O)CC(=O)c1ccccc1O 271570a_203496583355_200011243946 [0,1,0,0,0,1|1,0,0]=3 1372 B13R1.201 CC(O)CC(=O)c1ccccc1Br 1458a_100000188424_100011218427 [0,1,0,0,0,1|1,0,1]=4 1373 B13R1.201 CC(O)CC(=O)c1ccccc1Cl 1458a_100000185844_100011218427 [0,1,0,0,0,1|1,0,1]=4 1374 B13R1.201 CC(O)CC(=O)c1ccccc1F 1458a_100000188656_100011218427 [0,1,0,0,0,1|1,0,1]=4 1375 B13R1.201 CC(O)CC(=O)c1ccccc1I 1458a_100000187884_100011218427 [0,1,0,0,0,1|1,0,1]=4 1376 B13R1.201 CC(O)CC(=O)c1ccccc1O 1458a_100015234032_100011218427 [0,1,0,0,0,1|1,0,1]=4 1377 B13R1.201 CC(O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100011218427 [0,1,0,0,0,1|1,0,1]=4 1378 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200000210301 [0,1,0,0,0,1|2,0,0]=4 1379 B13R1.201 CN(CC(=O)O)c1ccccc1F 269956a_200011202418_200000210301 [0,1,0,0,0,1|2,0,0]=4 1380 B13R1.201 Cc1ccccc1C(=O)CC(=O)N 1458a_100000212026_100000187820 [0,1,0,0,0,1|1,0,0]=3 1381 B13R1.201 Cc1ccccc1C(=O)CC(=O)[O-] 1458a_100000212026_100020667443 [0,1,0,0,0,1|0,0,1]=3 1382 B13R1.201 Cc1ccccc1C(=O)CC(C)O 1458a_100000212026_100011218427 [0,1,0,0,0,1|1,0,1]=4 1383 B13R1.201 Cc1ccccc1C(=O)C[N+](=O)[O-] 1458a_100000212026_100000761209 [0,1,0,0,0,1|1,0,1]=4 1384 B13R1.201 Cc1ccccc1N(C)CC(=O)O 269956a_200011202413_200000210301 [0,1,0,0,0,1|2,0,0]=4 1385 B13R1.201 Cc1ccccc1N([13CH3])CC(=O)O 269956a_200011202413_200025704644 [0,1,0,0,0,1|2,0,0]=4 1386 B13R1.201 NC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000187820 [0,1,0,0,0,1|1,0,0]=3 1387 B13R1.201 NC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000187820 [0,1,0,0,0,1|1,0,0]=3 1388 B13R1.201 NC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000187820 [0,1,0,0,0,1|1,0,0]=3 1389 B13R1.201 NC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000187820 [0,1,0,0,0,1|1,0,0]=3 1390 B13R1.201 NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000187820 [0,1,0,0,0,1|1,0,0]=3 1391 B13R1.201 NC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000187820 [0,1,0,0,0,1|1,0,0]=3 1392 B13R1.201 O=C(C[N+](=O)[O-])c1ccccc1Br 1458a_100000188424_100000761209 [0,1,0,0,0,1|1,0,1]=4 1393 B13R1.201 O=C(C[N+](=O)[O-])c1ccccc1Cl 1458a_100000185844_100000761209 [0,1,0,0,0,1|1,0,1]=4 1394 B13R1.201 O=C(C[N+](=O)[O-])c1ccccc1F 1458a_100000188656_100000761209 [0,1,0,0,0,1|1,0,1]=4 1395 B13R1.201 O=C(C[N+](=O)[O-])c1ccccc1I 1458a_100000187884_100000761209 [0,1,0,0,0,1|1,0,1]=4 1396 B13R1.201 O=C(C[N+](=O)[O-])c1ccccc1O 1458a_100015234032_100000761209 [0,1,0,0,0,1|1,0,1]=4 1397 B13R1.201 O=C(C[N+](=O)[O-])c1ccccc1[O-] 1458a_100009911694_100000761209 [0,1,0,0,0,1|1,0,1]=4 1398 B13R1.201 O=C([O-])CC(=O)c1ccccc1Br 1458a_100000188424_100020667443 [0,1,0,0,0,1|0,0,1]=3 1399 B13R1.201 O=C([O-])CC(=O)c1ccccc1Cl 1458a_100000185844_100020667443 [0,1,0,0,0,1|0,0,1]=3 1400 B13R1.201 O=C([O-])CC(=O)c1ccccc1F 1458a_100000188656_100020667443 [0,1,0,0,0,1|0,0,1]=3 1401 B13R1.201 O=C([O-])CC(=O)c1ccccc1I 1458a_100000187884_100020667443 [0,1,0,0,0,1|0,0,1]=3 1402 B13R1.201 O=C([O-])CC(=O)c1ccccc1O 1458a_100015234032_100020667443 [0,1,0,0,0,1|0,0,1]=3 1403 B13R1.201 O=C([O-])CC(=O)c1ccccc1[O-] 1458a_100009911694_100020667443 [0,1,0,0,0,1|0,0,1]=3 1404 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200025704644 [0,1,0,0,0,1|2,0,0]=4 1405 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1F 269956a_200011202418_200025704644 [0,1,0,0,0,1|2,0,0]=4 1406 B13R1.347 CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000070787_100000240042 [0,1,0,0,0,1|2,0,0]=4 1407 B13R1.347 CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_200000210301 [0,1,0,0,0,1|2,0,0]=4 1408 B13R1.347 CC(=O)NS(=O)(=O)c1ccccc1 2740a_100000164509_100015343762 [0,1,0,0,0,1|2,0,0]=4 1409 B13R1.347 [13CH3]C(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_200025704644 [0,1,0,0,0,1|2,0,0]=4 1410 B13R1.352 CS(=O)(=O)NC(=O)c1ccccc1 2740a_100000171171_100000185807 [0,1,0,0,0,1|1,0,1]=4 1411 B13R1.352 NS(=O)(=O)CC(=O)c1ccccc1 1458a_100000185807_100000741382 [0,1,0,0,0,1|1,0,1]=4 1412 B13R1.352 O=C(CS(=O)(=O)[O-])c1ccccc1 1458a_100000185807_100009817235 [0,1,0,0,0,1|1,0,1]=4 1413 B13R1.713 CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210202 [0,1,0,0,0,1|2,0,0]=4 1414 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [0,1,0,0,0,1|1,0,1]=4 1415 B13R1.713 O=C(O)CN(CF)c1ccccc1 269956a_100000212060_100015361967 [0,1,0,0,0,1|2,0,0]=4 1416 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [0,1,0,0,0,1|1,0,1]=4 1417 B13R1.21 CC(C(=O)CO)c1ccc(cc1)Br 1458a_100000210174_100000755118 [0,2,0,0,0,0|1,0,1]=4 1418 B13R1.21 CC(C(=O)CO)c1ccc(cc1)Cl 1458a_100000210174_100000684792 [0,2,0,0,0,0|1,0,1]=4 1419 B13R1.21 CC(C(=O)CO)c1ccc(cc1)F 1458a_100000210174_100000743420 [0,2,0,0,0,0|1,0,1]=4 1420 B13R1.21 CN(C(=O)CO)c1ccc(cc1)Br 22a_100000219623_100000210174 [0,2,0,0,0,0|2,0,0]=4 1421 B13R1.21 CN(C(=O)CO)c1ccc(cc1)Cl 22a_100020629279_100000210174 [0,2,0,0,0,0|2,0,0]=4 1422 B13R1.21 CN(C(=O)CO)c1ccc(cc1)F 22a_100000219829_100000210174 [0,2,0,0,0,0|2,0,0]=4 1423 B13R1.21 CN(C(=O)CO)c1ccc(cc1)I 22a_100000743151_100000210174 [0,2,0,0,0,0|2,0,0]=4 1424 B13R1.21 CN(C(=O)CO)c1ccc(cc1)O 22a_100000182112_100000210174 [0,2,0,0,0,0|2,0,0]=4 1425 B13R1.21 CN(C(=O)CO)c1ccc(cc1)O 527a_100000182112_100000210174 [0,2,0,0,0,0|2,0,0]=4 1426 B13R1.21 COC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_100012339527 [0,2,0,0,0,0|0,0,0]=2 1427 B13R1.21 COC(=O)C(N)c1ccc(cc1)O 271570a_203496583355_100000747369 [0,2,0,0,0,0|1,0,1]=4 1428 B13R1.21 COC(C)C(=O)c1ccc(cc1)Br 34a_100138415774_100000184162 [0,2,0,0,0,0|1,0,1]=4 1429 B13R1.21 COC(C)C(=O)c1ccc(cc1)C 34a_100138415774_100000726416 [0,2,0,0,0,0|1,0,1]=4 1430 B13R1.21 COC(C)C(=O)c1ccc(cc1)F 34a_100138415774_100000229918 [0,2,0,0,0,0|1,0,1]=4 1431 B13R1.21 COC(C)C(=O)c1ccc(cc1)O 34a_100138415774_200010205864 [0,2,0,0,0,0|1,0,1]=4 1432 B13R1.21 CON(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100000153844 [0,2,0,0,0,0|2,0,0]=4 1433 B13R1.21 Cc1ccc(cc1)C(C)C(=O)CO 1458a_100000210174_100011261388 [0,2,0,0,0,0|1,0,1]=4 1434 B13R1.21 Cc1ccc(cc1)N(C)C(=O)CO 22a_100000219977_100000210174 [0,2,0,0,0,0|2,0,0]=4 1435 B13R1.36 C=Cc1ccc(cc1)C(=O)C(=O)N 271570a_100011290941_200009822167 [0,2,0,0,0,0|1,0,0]=3 1436 B13R1.36 CSc1ccc(cc1)C(=O)C(=O)N 62a_200009822167_200000210301 [0,2,0,0,0,0|1,0,0]=3 1437 B13R1.36 CSc1ccc(cc1)C(=O)C(O)O 62a_200000210301_200009815832 [0,2,0,0,0,0|0,0,2]=4 1438 B13R1.36 CSc1ccc(cc1)C(=O)C(O)O 62a_200009815832_200000210301 [0,2,0,0,0,0|0,0,2]=4 1439 B13R1.36 [13CH3]Sc1ccc(cc1)C(=O)C(=O)N 62a_200009822167_200025704644 [0,2,0,0,0,0|1,0,0]=3 1440 B13R1.36 [13CH3]Sc1ccc(cc1)C(=O)C(O)O 62a_200009815832_200025704644 [0,2,0,0,0,0|0,0,2]=4 1441 B13R1.36 [13CH3]Sc1ccc(cc1)C(=O)C(O)O 62a_200025704644_200009815832 [0,2,0,0,0,0|0,0,2]=4 1442 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200000210301 [0,2,0,0,0,0|1,0,1]=4 1443 B13R1.706 CNC(C(=O)O)c1ccc(cc1)C 269956a_100138412518_200000210301 [0,2,0,0,0,0|1,0,1]=4 1444 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200000210301 [0,2,0,0,0,0|1,0,1]=4 1445 B13R1.706 CNC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200000210301 [0,2,0,0,0,0|1,0,1]=4 1446 B13R1.706 Cc1ccc(cc1)C(N[13CH3])C(=O)O 269956a_100138412518_200025704644 [0,2,0,0,0,0|1,0,1]=4 1447 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200025704644 [0,2,0,0,0,0|1,0,1]=4 1448 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200025704644 [0,2,0,0,0,0|1,0,1]=4 1449 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200025704644 [0,2,0,0,0,0|1,0,1]=4 1450 B13R1.22 CN(C(=O)CO)c1cccc(c1)Br 22a_100000219648_100000210174 [0,2,0,0,0,0|2,0,0]=4 1451 B13R1.22 CN(C(=O)CO)c1cccc(c1)Br 527a_100000219648_100000210174 [0,2,0,0,0,0|2,0,0]=4 1452 B13R1.22 CN(C(=O)CO)c1cccc(c1)Cl 22a_100000220044_100000210174 [0,2,0,0,0,0|2,0,0]=4 1453 B13R1.22 CN(C(=O)CO)c1cccc(c1)F 22a_100020633736_100000210174 [0,2,0,0,0,0|2,0,0]=4 1454 B13R1.22 CN(C(=O)CO)c1cccc(c1)I 22a_100000221217_100000210174 [0,2,0,0,0,0|2,0,0]=4 1455 B13R1.22 CN(C(=O)CO)c1cccc(c1)O 527a_100000756613_100000210174 [0,2,0,0,0,0|2,0,0]=4 1456 B13R1.22 COC(=O)C(=O)c1cccc(c1)O 271570a_203496583355_100000699548 [0,2,0,0,0,0|0,0,0]=2 1457 B13R1.22 COC(=O)C(C)c1cccc(c1)O 271570a_203496583355_100010077029 [0,2,0,0,0,0|1,0,1]=4 1458 B13R1.22 COC(=O)C(N)c1cccc(c1)O 271570a_203496583355_100015207118 [0,2,0,0,0,0|1,0,1]=4 1459 B13R1.22 COC(C)C(=O)c1cccc(c1)Br 34a_100138415774_100012349134 [0,2,0,0,0,0|1,0,1]=4 1460 B13R1.22 COC(C)C(=O)c1cccc(c1)Cl 34a_100138415774_100000184413 [0,2,0,0,0,0|1,0,1]=4 1461 B13R1.22 COC(C)C(=O)c1cccc(c1)F 34a_100138415774_100012356231 [0,2,0,0,0,0|1,0,1]=4 1462 B13R1.22 CON(C)C(=O)c1cccc(c1)O 271570a_203496583355_100000153848 [0,2,0,0,0,0|2,0,0]=4 1463 B13R1.22 Cc1cccc(c1)N(C)C(=O)CO 22a_100000219674_100000210174 [0,2,0,0,0,0|2,0,0]=4 1464 B13R1.47 C#CCC(=O)C(=C)c1ccccc1 1458a_100000065200_100000184674 [0,2,0,0,0,0|2,0,0]=4 1465 B13R1.47 C=C(C(=O)CC#N)c1ccccc1 1458a_100000065200_100011214920 [0,2,0,0,0,0|2,0,0]=4 1466 B13R1.47 C=C(C(=O)CCC)c1ccccc1 1458a_100000065200_100000210303 [0,2,0,0,0,0|2,0,0]=4 1467 B13R1.47 C=C(C(=O)CCF)c1ccccc1 1458a_100000065200_100011217306 [0,2,0,0,0,0|2,0,0]=4 1468 B13R1.47 C=C(C(=O)CCO)c1ccccc1 1458a_100000065200_100000211926 [0,2,0,0,0,0|1,0,0]=3 1469 B13R1.47 C=C(C(=O)NNC)c1ccccc1 22a_100016993582_100000065200 [0,2,0,0,0,0|2,0,0]=4 1470 B13R1.47 C=CCC(=O)C(=C)c1ccccc1 1458a_100000065200_100000210623 [0,2,0,0,0,0|2,0,0]=4 1471 B13R1.47 CC(C(=O)CCO)c1ccccc1 1458a_100011216618_100000230085 [0,2,0,0,0,0|1,0,1]=4 1472 B13R1.47 CC(CCO)C(=O)c1ccccc1 1458a_100000185807_100009893172 [0,2,0,0,0,0|1,0,1]=4 1473 B13R1.47 CN(C(=O)CCO)c1ccccc1 22a_100000210012_100011216618 [0,2,0,0,0,0|2,0,0]=4 1474 B13R1.47 CN(CCO)C(=O)c1ccccc1 240690a_100000210263_100000185807 [0,2,0,0,0,0|2,0,0]=4 1475 B13R1.47 CN(CCO)C(=O)c1ccccc1 527a_100000210263_100000185807 [0,2,0,0,0,0|2,0,0]=4 1476 B13R1.47 COCC(=O)C(C)c1ccccc1 1458a_100000210968_100000230085 [0,2,0,0,0,0|1,0,1]=4 1477 B13R1.47 COCC(=O)N(C)c1ccccc1 11a_100000210012_100000210968 [0,2,0,0,0,0|2,0,0]=4 1478 B13R1.47 COCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210968 [0,2,0,0,0,0|2,0,0]=4 1479 B13R1.47 COCC(=O)N(C)c1ccccc1 22a_100000210012_100000210968 [0,2,0,0,0,0|2,0,0]=4 1480 B13R1.47 COCC(=O)N(C)c1ccccc1 34a_100138415774_100000183487 [0,2,0,0,0,0|2,0,0]=4 1481 B13R1.47 COCC(C)C(=O)c1ccccc1 1458a_100000185807_100000765312 [0,2,0,0,0,0|1,0,1]=4 1482 B13R1.47 C[C@H](C(=O)CCO)c1ccccc1 1458a_100000751047_100000211926 [0,2,0,0,0,0|1,0,1]=4 1483 B13R1.47 O=C(CCO)C(F)c1ccccc1 1458a_100000698975_100000211926 [0,2,0,0,0,0|1,0,1]=4 1484 B13R1.47 O=C(CCO)[C@H](O)c1ccccc1 1458a_100000684486_100000211926 [0,2,0,0,0,0|0,0,2]=4 1485 B13R1.263 CC(C)(O[13CH3])C(=O)c1ccccc1 34a_100011217161_200025704644 [0,2,0,0,0,0|1,0,1]=4 1486 B13R1.263 CC(C)(O[13CH3])C(=O)c1ccccc1 7a_100011217161_200025704644 [0,2,0,0,0,0|1,0,1]=4 1487 B13R1.263 COC(C)(C)C(=O)c1ccccc1 34a_100011217161_200000210301 [0,2,0,0,0,0|1,0,1]=4 1488 B13R1.263 COC(C)(C)C(=O)c1ccccc1 7a_100011217161_200000210301 [0,2,0,0,0,0|1,0,1]=4 1489 B13R1.532 CCN(C(=O)CO)c1ccccc1 22a_100000210013_100000210174 [0,2,0,0,0,0|2,0,0]=4 1490 B13R1.532 CNC(C(=O)OC)c1ccccc1 2230a_106832991635_100000754950 [0,2,0,0,0,0|1,0,1]=4 1491 B13R1.532 CNC(C(=O)OC)c1ccccc1 34a_100102657272_100000185205 [0,2,0,0,0,0|1,0,1]=4 1492 B13R1.532 CNC(C(=O)OC)c1ccccc1 7a_106832991635_100000754950 [0,2,0,0,0,0|1,0,1]=4 1493 B13R1.532 COC(=O)C(OC)c1ccccc1 34a_100138415774_100000185205 [0,2,0,0,0,0|0,0,2]=4 1494 B13R1.532 COC(=O)C(SC)c1ccccc1 62a_100000754950_200000210301 [0,2,0,0,0,0|0,1,1]=4 1495 B13R1.532 COC(=O)C(SC)c1ccccc1 62a_200000210301_100000754950 [0,2,0,0,0,0|0,1,1]=4 1496 B13R1.532 COC(=O)C(S[13CH3])c1ccccc1 62a_100000754950_200025704644 [0,2,0,0,0,0|0,1,1]=4 1497 B13R1.532 COC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100000754950 [0,2,0,0,0,0|0,1,1]=4 1498 B13R1.532 COC(=O)[C@H](OC)c1ccccc1 34a_100009815907_200000210301 [0,2,0,0,0,0|0,0,2]=4 1499 B13R1.532 COC(=O)[C@H](O[13CH3])c1ccccc1 34a_100009815907_200025704644 [0,2,0,0,0,0|0,0,2]=4 1500 B13R1.696 CC(C(=O)CO)c1ccccc1Cl 1458a_100000210174_100000181259 [0,2,0,0,0,0|1,0,1]=4 1501 B13R1.696 CC(C(=O)CO)c1ccccc1F 1458a_100000210174_200000741388 [0,2,0,0,0,0|1,0,1]=4 1502 B13R1.696 CN(C(=O)CO)c1ccccc1F 22a_100000220357_100000210174 [0,2,0,0,0,0|2,0,0]=4 1503 B13R1.696 CN(C(=O)CO)c1ccccc1O 22a_100000033821_100000210174 [0,2,0,0,0,0|2,0,0]=4 1504 B13R1.696 CN(C(=O)CO)c1ccccc1O 527a_100000033821_100000210174 [0,2,0,0,0,0|2,0,0]=4 1505 B13R1.696 COC(=O)C(=O)c1ccccc1O 271570a_203496583355_200010133017 [0,2,0,0,0,0|0,0,0]=2 1506 B13R1.696 COC(=O)C(O)c1ccccc1O 271570a_203496583355_200011625927 [0,2,0,0,0,0|0,0,2]=4 1507 B13R1.696 CON(C)C(=O)c1ccccc1O 271570a_203496583355_100000153843 [0,2,0,0,0,0|2,0,0]=4 1508 B13R1.696 Cc1ccccc1N(C)C(=O)CO 22a_100000219699_100000210174 [0,2,0,0,0,0|2,0,0]=4 1509 B13R1.708 CC(C)(C(=O)CO)c1ccccc1 1458a_100000210174_100000034625 [0,2,0,0,0,0|1,0,1]=4 1510 B13R1.708 O=C(CO)C(F)(F)c1ccccc1 1458a_100000210174_100000036403 [0,2,0,0,0,0|1,0,1]=4 1511 B13R1.720 CNC(C(=O)O)c1ccccc1Br 269956a_100000744630_200000210301 [0,2,0,0,0,0|1,0,1]=4 1512 B13R1.720 CNC(C(=O)O)c1ccccc1C 269956a_100011223803_200000210301 [0,2,0,0,0,0|1,0,1]=4 1513 B13R1.720 CNC(C(=O)O)c1ccccc1F 269956a_100138411467_200000210301 [0,2,0,0,0,0|1,0,1]=4 1514 B13R1.720 CN[C@H](C(=O)O)c1ccccc1Cl 269956a_100009815989_200000210301 [0,2,0,0,0,0|1,0,1]=4 1515 B13R1.720 Cc1ccccc1C(N[13CH3])C(=O)O 269956a_100011223803_200025704644 [0,2,0,0,0,0|1,0,1]=4 1516 B13R1.720 [13CH3]NC(C(=O)O)c1ccccc1Br 269956a_100000744630_200025704644 [0,2,0,0,0,0|1,0,1]=4 1517 B13R1.720 [13CH3]NC(C(=O)O)c1ccccc1F 269956a_100138411467_200025704644 [0,2,0,0,0,0|1,0,1]=4 1518 B13R1.720 [13CH3]N[C@H](C(=O)O)c1ccccc1Cl 269956a_100009815989_200025704644 [0,2,0,0,0,0|1,0,1]=4 1519 B13R1.642 CSc1cccc(c1)C(=O)C(O)O 62a_100009816729_200000210301 [0,2,0,0,0,0|0,0,2]=4 1520 B13R1.642 CSc1cccc(c1)C(=O)C(O)O 62a_200000210301_100009816729 [0,2,0,0,0,0|0,0,2]=4 1521 B13R1.642 [13CH3]Sc1cccc(c1)C(=O)C(O)O 62a_100009816729_200025704644 [0,2,0,0,0,0|0,0,2]=4 1522 B13R1.642 [13CH3]Sc1cccc(c1)C(=O)C(O)O 62a_200025704644_100009816729 [0,2,0,0,0,0|0,0,2]=4 1523 B13R1.716 CNC(C(=O)O)c1cccc(c1)Br 269956a_100025717458_200000210301 [0,2,0,0,0,0|1,0,1]=4 1524 B13R1.716 CNC(C(=O)O)c1cccc(c1)C 269956a_100015207286_200000210301 [0,2,0,0,0,0|1,0,1]=4 1525 B13R1.716 CNC(C(=O)O)c1cccc(c1)Cl 269956a_100000752362_200000210301 [0,2,0,0,0,0|1,0,1]=4 1526 B13R1.716 CNC(C(=O)O)c1cccc(c1)F 269956a_100000752392_200000210301 [0,2,0,0,0,0|1,0,1]=4 1527 B13R1.716 Cc1cccc(c1)C(N[13CH3])C(=O)O 269956a_100015207286_200025704644 [0,2,0,0,0,0|1,0,1]=4 1528 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)Br 269956a_100025717458_200025704644 [0,2,0,0,0,0|1,0,1]=4 1529 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)Cl 269956a_100000752362_200025704644 [0,2,0,0,0,0|1,0,1]=4 1530 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)F 269956a_100000752392_200025704644 [0,2,0,0,0,0|1,0,1]=4 1531 B13R1.405 CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210202 [0,2,0,0,0,0|1,0,1]=4 1532 B13R1.405 CNCC(C(=O)O)c1ccccc1 269956a_100000722792_200000210301 [0,2,0,0,0,0|1,0,1]=4 1533 B13R1.405 O=C(O)C(NCF)c1ccccc1 269956a_100000230147_100015361967 [0,2,0,0,0,0|1,0,1]=4 1534 B13R1.405 [13CH3]NCC(C(=O)O)c1ccccc1 269956a_100000722792_200025704644 [0,2,0,0,0,0|1,0,1]=4 1535 B13R1.1111 CC(=O)C(C(=O)C)c1ccccc1 1458a_100000070787_100009888967 [0,2,0,0,0,0|1,0,1]=4 1536 B13R1.1111 CC(=O)C(C(=O)N)c1ccccc1 1458a_100000070787_100000188848 [0,2,0,0,0,0|1,0,1]=4 1537 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,0,1,1,0,0|2,0,0]=4 1538 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,0,1,1,0,0|2,0,0]=4 1539 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [0,0,1,1,0,0|2,0,0]=4 1540 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,0,1,1,0,0|2,0,0]=4 1541 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [0,0,1,1,0,0|2,0,0]=4 1542 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [0,0,1,1,0,0|2,0,0]=4 1543 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [0,0,1,1,0,0|2,0,0]=4 1544 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [0,0,1,1,0,0|2,0,0]=4 1545 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [0,0,1,1,0,0|2,0,0]=4 1546 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [0,0,1,1,0,0|2,0,0]=4 1547 B11R1.266 C=Cc1cccc(n1)C(=O)C 271570a_100011290941_100009816502 [0,0,1,1,0,0|2,0,0]=4 1548 B11R1.266 C=Cc1cccc(n1)C(=O)N 271570a_100011290941_100011834053 [0,0,1,1,0,0|2,0,0]=4 1549 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,1,0,0|0,0,1]=3 1550 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [1,0,0,1,0,0|1,0,1]=4 1551 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,1,0,0|0,1,1]=4 1552 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,1,0,0|1,0,0]=3 1553 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,1,0,0|0,0,1]=3 1554 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,1,0,0|0,1,0]=3 1555 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,0,0,1,0,0|2,0,0]=4 1556 B11R2.10 Oc1cn2ccccc2n1 271570a_203496583355_100009819586 [1,0,0,1,0,0|2,0,0]=4 1557 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,1,0,0|2,0,0]=4 1558 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [1,0,0,1,0,0|1,1,0]=4 1559 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [0,0,0,1,0,1|2,0,0]=4 1560 B13R2.369 Cc1nc2ccccc2nc1O 271570a_203496583355_100000185947 [0,0,0,1,0,1|2,0,0]=4 1561 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [0,0,0,1,0,1|2,0,0]=4 1562 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [0,0,0,1,0,1|2,0,0]=4 1563 B13R2.369 Nc1nc2ccccc2nc1O 271570a_203496583355_100000009970 [0,0,0,1,0,1|2,0,0]=4 1564 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,0,0,1,0,1|0,0,1]=3 1565 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [0,0,0,1,0,1|2,0,0]=4 1566 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [0,0,0,1,0,1|2,0,0]=4 1567 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [0,0,0,1,0,1|1,0,1]=4 1568 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [0,0,0,1,0,1|2,0,0]=4 1569 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [0,0,0,1,0,1|2,0,0]=4 1570 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [0,0,0,1,0,1|1,0,1]=4 1571 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [0,0,0,1,0,1|1,0,1]=4 1572 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [0,0,0,1,0,1|2,0,0]=4 1573 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,0,0,1,0,1|2,0,0]=4 1574 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,0,0,1,0,1|2,0,0]=4 1575 B13R2.444 O=C(Cc1ccccc1)C2CO2 1458a_100000701028_100015291786 [0,0,0,1,0,1|1,0,1]=4 1576 B13R2.444 O=C(Nc1ccccc1)C2CO2 11a_100000106764_100000701028 [0,0,0,1,0,1|1,0,1]=4 1577 B13R2.444 O=C(Nc1ccccc1)C2CO2 1626a_100000106764_100000701028 [0,0,0,1,0,1|1,0,1]=4 1578 B13R2.444 O=C(Nc1ccccc1)C2CO2 22a_100000106764_100000701028 [0,0,0,1,0,1|1,0,1]=4 1579 B13R2.444 O=C(Nc1ccccc1)C2CO2 527a_100000106764_100000701028 [0,0,0,1,0,1|1,0,1]=4 1580 B13R2.10 Cc1nc(no1)c2ccccc2 270196a_100000210280_100000070787 [0,0,0,1,0,1|2,0,0]=4 1581 B13R2.10 Cc1nc(no1)c2ccccc2 271570a_100011218836_100012003639 [0,0,0,1,0,1|2,0,0]=4 1582 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [0,0,0,1,0,1|2,0,0]=4 1583 B13R2.10 Oc1c[nH]c(n1)c2ccccc2 271570a_203496583355_200010210587 [0,0,0,1,0,1|2,0,0]=4 1584 B13R2.10 Oc1cc(n[nH]1)c2ccccc2 271570a_203496583355_114929179799 [0,0,0,1,0,1|2,0,0]=4 1585 B13R2.10 Oc1ccc(s1)c2ccccc2 271570a_203496583355_100009814279 [0,0,0,1,0,1|2,0,0]=4 1586 B13R2.10 Oc1cnc(o1)c2ccccc2 271570a_203496583355_100009814072 [0,0,0,1,0,1|2,0,0]=4 1587 B13R2.10 Oc1cnc(s1)c2ccccc2 271570a_203496583355_100000726391 [0,0,0,1,0,1|2,0,0]=4 1588 B13R2.10 Oc1coc(n1)c2ccccc2 271570a_203496583355_100010163736 [0,0,0,1,0,1|1,0,1]=4 1589 B13R2.10 Oc1n[nH]c(n1)c2ccccc2 271570a_203496583355_100010173362 [0,0,0,1,0,1|2,0,0]=4 1590 B13R2.10 Oc1nc(cs1)c2ccccc2 271570a_203496583355_100011830410 [0,0,0,1,0,1|1,1,0]=4 1591 B13R2.10 Oc1nc(no1)c2ccccc2 270196a_100000210280_100015183105 [0,0,0,1,0,1|1,0,1]=4 1592 B13R2.10 Oc1ncc(o1)c2ccccc2 271570a_203496583355_100000729704 [0,0,0,1,0,1|2,0,0]=4 1593 B13R2.10 Oc1ncc(s1)c2ccccc2 271570a_203496583355_100000685549 [0,0,0,1,0,1|2,0,0]=4 1594 B13R2.10 Oc1nnc(s1)c2ccccc2 271570a_203496583355_100000694505 [0,0,0,1,0,1|2,0,0]=4 1595 B13R2.10 Oc1noc(n1)c2ccccc2 271570a_203496583355_200000701163 [0,0,0,1,0,1|1,0,1]=4 1596 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [0,0,0,1,0,1|2,0,0]=4 1597 B13R2.328 Cc1nc(nc2c1cccc2)O 271570a_203496583355_100000046098 [0,0,0,1,0,1|2,0,0]=4 1598 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [0,0,0,1,0,1|2,0,0]=4 1599 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [0,0,0,1,0,1|2,0,0]=4 1600 B13R2.328 Nc1nc(cc2c1cccc2)O 271570a_203496583355_100009957331 [0,0,0,1,0,1|2,0,0]=4 1601 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [0,0,0,1,0,1|1,0,0]=3 1602 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [0,0,0,1,0,1|1,0,1]=4 1603 B13R2.328 O=c1cc(nc2n1cccc2)O 271570a_203496583355_100000707704 [0,0,0,1,0,1|2,0,0]=4 1604 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [0,0,0,1,0,1|1,0,1]=4 1605 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [0,0,0,1,0,1|1,0,1]=4 1606 B13R2.690 O=C(CC1CO1)c2ccccc2 1458a_100000185807_100011216344 [0,0,0,1,0,1|1,0,1]=4 1607 B13R2.690 O=C(C[C@@H]1CO1)c2ccccc2 1458a_100000185807_100000745022 [0,0,0,1,0,1|1,0,1]=4 1608 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,1,0,1,0,0|2,0,0]=4 1609 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,1,0,0|1,0,0]=3 1610 B13R2.15 Cc1occc1c2ccccc2 271570a_100000070625_100000210277 [0,1,0,1,0,0|2,0,0]=4 1611 B13R2.15 Cc1oncc1c2ccccc2 271570a_100000723675_100000210277 [0,1,0,1,0,0|2,0,0]=4 1612 B13R2.15 Cc1oncc1c2ccccc2 271570a_100011218836_100009872056 [0,1,0,1,0,0|2,0,0]=4 1613 B13R2.15 Nc1nocc1c2ccccc2 271570a_100011218836_100012597345 [0,1,0,1,0,0|2,0,0]=4 1614 B13R2.15 Oc1c[nH]nc1c2ccccc2 271570a_203496583355_100011471533 [0,1,0,1,0,0|2,0,0]=4 1615 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [0,1,0,1,0,0|2,0,0]=4 1616 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [0,1,0,1,0,0|2,0,0]=4 1617 B13R2.32 Nc1c(cnc2c1cccc2)O 271570a_203496583355_100009995562 [0,1,0,1,0,0|2,0,0]=4 1618 B13R2.32 Nc1c(ncc2c1cccc2)O 271570a_203496583355_100000087573 [0,1,0,1,0,0|2,0,0]=4 1619 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [0,1,0,1,0,0|1,0,0]=3 1620 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [0,1,0,1,0,0|0,0,1]=3 1621 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [0,1,0,1,0,0|2,0,0]=4 1622 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [0,1,0,1,0,0|2,0,0]=4 1623 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [0,1,0,1,0,0|1,0,1]=4 1624 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [0,1,0,1,0,0|1,0,1]=4 1625 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [0,1,0,1,0,0|2,0,0]=4 1626 B13R2.32 Oc1nnc2ccccc2c1O 271570a_203496583355_100000688347 [0,1,0,1,0,0|1,0,1]=4 1627 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,1,0,1,0,0|0,1,1]=4 1628 B13R2.8137 O=C(c1ccccc1)C2COC2 1458a_100000185807_100000687716 [0,1,0,1,0,0|1,0,1]=4 1629 B13R2.72 CC(=O)C1=CCc2c1cccc2 1458a_100000037392_200000210301 [0,1,0,1,0,0|2,0,0]=4 1630 B13R2.72 [13CH3]C(=O)C1=CCc2c1cccc2 1458a_100000037392_200025704644 [0,1,0,1,0,0|2,0,0]=4 1631 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,1,0,0|1,0,0]=3 1632 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,1,0,0|1,0,0]=3 1633 B13R2.3028 O=C1Nc2ncc(cc2C1=O)O 271570a_203496583355_100010174890 [0,1,0,1,0,0|2,0,0]=4 1634 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,1,0,0|1,0,0]=3 1635 B13R2.135 C=Cc1c(oc2c1cccc2)C 271570a_100011290941_200010236113 [0,1,0,1,0,0|2,0,0]=4 1636 B13R2.135 CSc1c(oc2c1cccc2)C 62a_200000210301_200010236113 [0,1,0,1,0,0|1,1,0]=4 1637 B13R2.135 Cc1oc2ccccc2c1S[13CH3] 62a_200025704644_200010236113 [0,1,0,1,0,0|1,1,0]=4 1638 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [1,0,0,0,0,1|1,0,1]=4 1639 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,0,0,0,1|1,0,0]=3 1640 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,0,0,0,1|2,0,0]=4 1641 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,0,0,0,0,1|2,0,0]=4 1642 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,0,0,0,0,1|2,0,0]=4 1643 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,0,0,0,1|1,0,1]=4 1644 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,0,0,0,1|1,0,1]=4 1645 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,0,0,0,0,1|1,0,1]=4 1646 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,0,0,0,0,1|1,0,1]=4 1647 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,0,0,0,0,1|1,0,1]=4 1648 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,0,0,0,0,1|1,0,1]=4 1649 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,0,0,0,0,1|1,0,1]=4 1650 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,0,0,0,0,1|1,0,1]=4 1651 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [1,0,0,0,0,1|2,0,0]=4 1652 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,0,0,0,1|1,0,1]=4 1653 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,0,0,0,1|1,0,1]=4 1654 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,0,0,0,0,1|1,0,1]=4 1655 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,0,0,0,0,1|1,0,1]=4 1656 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,0,0,0,0,1|1,0,1]=4 1657 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,0,0,0,0,1|1,0,1]=4 1658 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [1,0,0,0,0,1|0,0,2]=4 1659 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [1,0,0,0,0,1|0,0,2]=4 1660 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [1,0,0,0,0,1|0,0,2]=4 1661 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [1,0,0,0,0,1|0,0,2]=4 1662 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [1,0,0,0,0,1|1,0,1]=4 1663 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,0,0,0,1|1,0,0]=3 1664 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,0,0,0,1|2,0,0]=4 1665 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,0,0,0,0,1|2,0,0]=4 1666 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,0,0,0,0,1|2,0,0]=4 1667 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,0,0,0,1|1,0,1]=4 1668 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,0,0,0,0,1|1,0,1]=4 1669 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,0,0,0,0,1|1,0,1]=4 1670 B11R1.77 CC(=O)CC(=O)c1ccc[nH]1 1458a_100000070787_200011262396 [0,0,0,0,1,1|2,0,0]=4 1671 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [0,0,0,0,1,1|2,0,0]=4 1672 B11R1.77 CC(=O)CC(=O)c1cccs1 1458a_100000070787_100000211436 [0,0,0,0,1,1|2,0,0]=4 1673 B11R1.77 CC(=O)CC(=O)c1ccsc1 1458a_100000070787_100011219462 [0,0,0,0,1,1|2,0,0]=4 1674 B13R1.348 CC(=CC(=O)Cc1ccccc1)C 1458a_100000211388_100015291786 [0,0,0,0,0,2|2,0,0]=4 1675 B13R1.348 CC(=CC(=O)Cc1ccccc1)Cl 1458a_200042562850_100015291786 [0,0,0,0,0,2|2,0,0]=4 1676 B13R1.348 CC(=CC(=O)Cc1ccccc1)I 1458a_100025716642_100015291786 [0,0,0,0,0,2|2,0,0]=4 1677 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100000211388 [0,0,0,0,0,2|2,0,0]=4 1678 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100000211388 [0,0,0,0,0,2|2,0,0]=4 1679 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100000211388 [0,0,0,0,0,2|2,0,0]=4 1680 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 11a_100000106764_200042562850 [0,0,0,0,0,2|2,0,0]=4 1681 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 1626a_100000106764_200042562850 [0,0,0,0,0,2|2,0,0]=4 1682 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 22a_100000106764_200042562850 [0,0,0,0,0,2|2,0,0]=4 1683 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 11a_100000106764_100025716642 [0,0,0,0,0,2|2,0,0]=4 1684 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 1626a_100000106764_100025716642 [0,0,0,0,0,2|2,0,0]=4 1685 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,0,0,0,0,2|1,0,0]=3 1686 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,0,0,0,0,2|1,0,0]=3 1687 B13R1.348 CC(=O)CC(=O)Nc1ccccn1 1458a_100000070787_100020662008 [0,0,0,0,0,2|2,0,0]=4 1688 B13R1.348 CC(=O)CC(=O)Nc1ccncc1 1458a_100000070787_100000754145 [0,0,0,0,0,2|2,0,0]=4 1689 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,0,0,0,0,2|1,0,0]=3 1690 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,0,0,0,0,2|2,0,0]=4 1691 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,0,0,0,0,2|2,0,0]=4 1692 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccc1 1458a_100011933948_100015291786 [0,0,0,0,0,2|1,0,1]=4 1693 B13R1.348 C[C@@H](O)CC(=O)Nc1ccccc1 22a_100000106764_100011933948 [0,0,0,0,0,2|1,0,1]=4 1694 B13R1.348 NC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000187820 [0,0,0,0,0,2|2,0,0]=4 1695 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [0,0,0,0,0,2|1,0,0]=3 1696 B13R1.348 NC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000187820 [0,0,0,0,0,2|2,0,0]=4 1697 B13R1.348 NC(=O)CC(=O)Cc1ccccn1 1458a_100134613110_100000721315 [0,0,0,0,0,2|2,0,0]=4 1698 B13R1.348 NC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000187820 [0,0,0,0,0,2|2,0,0]=4 1699 B13R1.348 NC(=O)CC(=O)Cc1cccnc1 1458a_100134613110_100000733263 [0,0,0,0,0,2|2,0,0]=4 1700 B13R1.348 NC(=O)CC(=O)Cc1ccncc1 1458a_100134613110_100000705612 [0,0,0,0,0,2|2,0,0]=4 1701 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100134613110 [0,0,0,0,0,2|1,0,0]=3 1702 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 527a_100000106764_100134613110 [0,0,0,0,0,2|1,0,0]=3 1703 B13R1.348 O=C(C=C(Cl)Cl)Cc1ccccc1 1458a_100000137448_100015291786 [0,0,0,0,0,2|2,0,0]=4 1704 B13R1.348 O=C(C=C(Cl)Cl)Nc1ccccc1 1626a_100000106764_100000137448 [0,0,0,0,0,2|2,0,0]=4 1705 B13R1.348 O=C([O-])CC(=O)C[n+]1ccccc1 1458a_200000086051_100020667443 [0,0,0,0,0,2|1,0,1]=4 1706 B13R1.348 O=C([O-])CC(=O)Cc1ccccn1 1458a_100000233486_100020667443 [0,0,0,0,0,2|1,0,1]=4 1707 B13R1.348 O=C([O-])CC(=O)Cc1cccnc1 1458a_100000737805_100020667443 [0,0,0,0,0,2|1,0,1]=4 1708 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,0,0,0,0,2|2,0,0]=4 1709 B13R1.351 C=C(Br)C(=O)NCc1ccccc1 11a_100015324214_100009813364 [0,0,0,0,0,2|2,0,0]=4 1710 B13R1.351 C=C(Br)C(=O)NCc1ccccc1 1626a_100015324214_100009813364 [0,0,0,0,0,2|2,0,0]=4 1711 B13R1.351 C=C(C)C(=O)CCc1ccccc1 1458a_100000185857_100000765856 [0,0,0,0,0,2|2,0,0]=4 1712 B13R1.351 C=C(C)C(=O)NCc1ccccc1 11a_100015324214_100000185857 [0,0,0,0,0,2|2,0,0]=4 1713 B13R1.351 C=C(C)C(=O)NCc1ccccc1 1626a_100015324214_100000185857 [0,0,0,0,0,2|2,0,0]=4 1714 B13R1.351 C=C(C)C(=O)NNc1ccccc1 22a_100015195140_100000185857 [0,0,0,0,0,2|2,0,0]=4 1715 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 11a_100015324214_100000039160 [0,0,0,0,0,2|2,0,0]=4 1716 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 1626a_100015324214_100000039160 [0,0,0,0,0,2|2,0,0]=4 1717 B13R1.351 C=C(Cl)C(=O)NNc1ccccc1 22a_100015195140_100000039160 [0,0,0,0,0,2|2,0,0]=4 1718 B13R1.351 C=C(F)C(=O)NCc1ccccc1 11a_100015324214_100000036797 [0,0,0,0,0,2|2,0,0]=4 1719 B13R1.351 C=C(F)C(=O)NCc1ccccc1 1626a_100015324214_100000036797 [0,0,0,0,0,2|2,0,0]=4 1720 B13R1.351 C=C(F)C(=O)NNc1ccccc1 22a_100015195140_100000036797 [0,0,0,0,0,2|2,0,0]=4 1721 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,0,0,0,0,2|1,0,0]=3 1722 B13R1.351 CC(=O)C(=O)COc1ccccc1 34a_100000210340_100011261029 [0,0,0,0,0,2|1,0,0]=3 1723 B13R1.351 CC(=O)C(=O)COc1cccnc1 34a_100000210849_100011261029 [0,0,0,0,0,2|2,0,0]=4 1724 B13R1.351 CC(=O)C(=O)COc1ccncc1 34a_100000212176_100011261029 [0,0,0,0,0,2|2,0,0]=4 1725 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011261029 [0,0,0,0,0,2|1,0,0]=3 1726 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100011261029_100000041952 [0,0,0,0,0,2|1,0,0]=3 1727 B13R1.351 CC(=O)C(=O)CSc1ccccn1 62a_100011216584_100011261029 [0,0,0,0,0,2|2,0,0]=4 1728 B13R1.351 CC(=O)C(=O)CSc1ccccn1 62a_100011261029_100011216584 [0,0,0,0,0,2|2,0,0]=4 1729 B13R1.351 CC(=O)C(=O)CSc1cccnc1 62a_100000210063_100011261029 [0,0,0,0,0,2|2,0,0]=4 1730 B13R1.351 CC(=O)C(=O)CSc1cccnc1 62a_100011261029_100000210063 [0,0,0,0,0,2|2,0,0]=4 1731 B13R1.351 CC(=O)C(=O)CSc1ccncc1 62a_100000728582_100011261029 [0,0,0,0,0,2|2,0,0]=4 1732 B13R1.351 CC(=O)C(=O)CSc1ccncc1 62a_100011261029_100000728582 [0,0,0,0,0,2|2,0,0]=4 1733 B13R1.351 C[C@@H](O)C(=O)CCc1ccccc1 1458a_100000717761_100000765856 [0,0,0,0,0,2|1,0,1]=4 1734 B13R1.351 C[C@@H](O)C(=O)NCc1ccccc1 240690a_100015324214_100000717761 [0,0,0,0,0,2|1,0,1]=4 1735 B13R1.351 C[C@@H](O)C(=O)NNc1ccccc1 22a_100015195140_100000717761 [0,0,0,0,0,2|1,0,1]=4 1736 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,0,0,0,0,2|1,0,1]=4 1737 B13R1.351 C[C@H](O)C(=O)CCc1ccccc1 1458a_217856618621_100000765856 [0,0,0,0,0,2|1,0,1]=4 1738 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 1626a_100015324214_217856618621 [0,0,0,0,0,2|1,0,1]=4 1739 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 240690a_100015324214_217856618621 [0,0,0,0,0,2|1,0,1]=4 1740 B13R1.351 C[C@H](O)C(=O)NNc1ccccc1 22a_100015195140_217856618621 [0,0,0,0,0,2|1,0,1]=4 1741 B13R1.351 NC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100011215815 [0,0,0,0,0,2|1,0,0]=3 1742 B13R1.351 NC(=O)C(=O)NCc1ccccn1 240690a_100000210449_100011215815 [0,0,0,0,0,2|2,0,0]=4 1743 B13R1.351 NC(=O)C(=O)NCc1cccnc1 240690a_100000210453_100011215815 [0,0,0,0,0,2|2,0,0]=4 1744 B13R1.351 NC(=O)C(=O)NCc1ccncc1 240690a_100000210450_100011215815 [0,0,0,0,0,2|2,0,0]=4 1745 B13R1.351 NC(=O)C(=O)NNc1ccccc1 22a_100015195140_100011215815 [0,0,0,0,0,2|1,0,0]=3 1746 B13R1.351 NC(=O)C(=O)NNc1ccccn1 22a_100000183288_100011215815 [0,0,0,0,0,2|2,0,0]=4 1747 B13R1.351 NC(=O)C(=O)NNc1cccnc1 22a_100000728903_100011215815 [0,0,0,0,0,2|2,0,0]=4 1748 B13R1.351 NC(=O)C(=O)NNc1ccncc1 22a_100000698918_100011215815 [0,0,0,0,0,2|2,0,0]=4 1749 B13R1.351 O=C(CCc1ccccc1)C(O)O 1458a_100000233687_100000765856 [0,0,0,0,0,2|0,0,2]=4 1750 B13R1.351 O=C(NCc1ccccc1)C(O)O 240690a_100015324214_100000233687 [0,0,0,0,0,2|0,0,2]=4 1751 B13R1.351 O=C(NNc1ccccc1)C(O)O 22a_100015195140_100000233687 [0,0,0,0,0,2|0,0,2]=4 1752 B13R1.45 C=C(C)CCC(=O)c1ccccc1 1458a_100000185807_100000730704 [0,0,0,0,0,2|2,0,0]=4 1753 B13R1.45 C=C(C)CNC(=O)c1ccccc1 11a_100000765925_100000185807 [0,0,0,0,0,2|2,0,0]=4 1754 B13R1.45 C=C(C)CNC(=O)c1ccccc1 1626a_100000765925_100000185807 [0,0,0,0,0,2|2,0,0]=4 1755 B13R1.45 C=C(C)CNC(=O)c1ccccc1 240690a_100000765925_100000185807 [0,0,0,0,0,2|2,0,0]=4 1756 B13R1.45 C=C(C)CNC(=O)c1ccccc1 527a_100000765925_100000185807 [0,0,0,0,0,2|2,0,0]=4 1757 B13R1.45 CC(=CCC(=O)c1ccccc1)C 1458a_100000185807_100000761012 [0,0,0,0,0,2|2,0,0]=4 1758 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,0,0,0,0,2|1,0,0]=3 1759 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [0,0,0,0,0,2|1,0,0]=3 1760 B13R1.45 CC(=O)CNC(=O)c1cccnc1 1458a_100000688122_200000210301 [0,0,0,0,0,2|2,0,0]=4 1761 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [0,0,0,0,0,2|1,0,0]=3 1762 B13R1.45 CC(=O)CSC(=S)c1ccccc1 1458a_100000043459_200000210301 [0,0,0,0,0,2|1,1,0]=4 1763 B13R1.45 CC(=O)NN=C(C)c1ccccc1 4a_100000189765_100000185851 [0,0,0,0,0,2|2,0,0]=4 1764 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000070787 [0,0,0,0,0,2|1,0,0]=3 1765 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000189765_100000185807 [0,0,0,0,0,2|1,0,0]=3 1766 B13R1.45 CC(=O)NNC(=O)c1ccccn1 22a_100000184044_100000070787 [0,0,0,0,0,2|2,0,0]=4 1767 B13R1.45 CC(=O)NNC(=O)c1cccnc1 22a_100000189771_100000070787 [0,0,0,0,0,2|2,0,0]=4 1768 B13R1.45 CC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000070787 [0,0,0,0,0,2|2,0,0]=4 1769 B13R1.45 CC(NCC(=O)O)c1ccccc1 269956a_100016091260_100000211855 [0,0,0,0,0,2|1,0,1]=4 1770 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [0,0,0,0,0,2|1,0,1]=4 1771 B13R1.45 CC(O)CNC(=O)c1ccccc1 11a_100000210904_100000185807 [0,0,0,0,0,2|1,0,1]=4 1772 B13R1.45 CC(O)CNC(=O)c1ccccc1 240690a_100000210904_100000185807 [0,0,0,0,0,2|1,0,1]=4 1773 B13R1.45 CC(O)CNC(=O)c1ccccc1 527a_100000210904_100000185807 [0,0,0,0,0,2|1,0,1]=4 1774 B13R1.45 NC(=O)CNC(=O)c1ccccc1 11a_100000711301_100000185807 [0,0,0,0,0,2|1,0,0]=3 1775 B13R1.45 NC(=O)CNC(=O)c1ccccc1 240690a_100000711301_100000185807 [0,0,0,0,0,2|1,0,0]=3 1776 B13R1.45 NC(=O)CNC(=O)c1ccccc1 527a_100000711301_100000185807 [0,0,0,0,0,2|1,0,0]=3 1777 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [0,0,0,0,0,2|1,0,0]=3 1778 B13R1.45 [13CH3]C(=O)CNC(=O)c1cccnc1 1458a_100000688122_200025704644 [0,0,0,0,0,2|2,0,0]=4 1779 B13R1.45 [13CH3]C(=O)CSC(=S)c1ccccc1 1458a_100000043459_200025704644 [0,0,0,0,0,2|1,1,0]=4