0 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.18 Cc1nc2ccccn2c1O 271570a_203496583355_100009816614 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,0,0,0,0,0|1,0,2]=3 5 B12R2.18 Cn1nc2ccccc2c1O 271570a_203496583355_100010163699 [0,0,0,0,0,0|3,0,1]=4 6 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [1,0,0,0,0,0|2,0,0]=3 7 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [1,0,0,0,0,0|2,0,0]=3 8 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [1,0,0,0,0,0|2,0,0]=3 9 B11R2.1 Oc1c[nH]c2c1cncn2 271570a_203496583355_100009817560 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [1,0,0,0,0,0|2,0,0]=3 11 B11R2.1 Oc1cnc2n1cccc2 271570a_203496583355_100011219245 [1,0,0,0,0,0|2,0,1]=4 12 B11R2.1 Oc1cnn2c1cccc2 271570a_203496583355_100009817726 [1,0,0,0,0,0|2,0,1]=4 13 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,0,0|2,0,0]=3 14 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,0,0|2,0,0]=3 16 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.1 Oc1csc2c1ccnc2 271570a_203496583355_100009817111 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,0,0,0|2,0,0]=3 21 B11R2.1 Oc1n[nH]c2c1cccn2 271570a_203496583355_100009888962 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.1 Oc1n[nH]c2c1ccnc2 271570a_203496583355_100010244369 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.1 Oc1n[nH]c2c1cncc2 271570a_203496583355_100010724670 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.1 Oc1n[nH]c2c1nccc2 271570a_203496583355_100009817118 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,0,0|1,0,1]=3 26 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,0,0|2,0,1]=4 27 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,0,0|2,0,1]=4 28 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,0,0,0,0,0|2,0,1]=4 29 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,0,0,0|0,0,2]=3 30 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [1,0,0,0,0,0|1,0,2]=4 31 B13R2.45 C=Cc1nc2ccccc2n1C 271570a_100011290941_200000239431 [0,1,0,0,0,0|2,0,1]=4 32 B13R2.45 CNc1nc2ccccc2n1C 27a_100102657272_200000239431 [0,1,0,0,0,0|2,0,1]=4 33 B13R2.45 COc1cc2ccccc2n1C 34a_100000066695_200000210301 [0,1,0,0,0,0|2,0,1]=4 34 B13R2.45 CSc1nc2ccccc2n1C 62a_200000210301_200000239431 [0,1,0,0,0,0|1,1,1]=4 35 B13R2.45 CSc1nc2ccccc2n1C 62a_200000239431_200000210301 [0,1,0,0,0,0|1,1,1]=4 36 B13R2.45 Cn1c(cc2c1cccc2)O[13CH3] 34a_100000066695_200025704644 [0,1,0,0,0,0|2,0,1]=4 37 B13R2.45 Cn1c(nc2c1cccc2)S[13CH3] 62a_200000239431_200025704644 [0,1,0,0,0,0|1,1,1]=4 38 B13R2.45 Cn1c(nc2c1cccc2)S[13CH3] 62a_200025704644_200000239431 [0,1,0,0,0,0|1,1,1]=4 39 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.135 CSC1C(=O)Nc2c1cccc2 62a_200000210301_200009996675 [0,1,0,0,0,0|1,1,0]=3 41 B13R2.135 [13CH3]SC1C(=O)Nc2c1cccc2 62a_200025704644_200009996675 [0,1,0,0,0,0|1,1,0]=3 42 B13R2.3028 CC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_100010251565 [0,1,0,0,0,0|2,0,0]=3 43 B13R2.3028 CN1C(=O)Cc2c1cc(cc2)O 271570a_203496583355_100010285470 [0,1,0,0,0,0|2,0,0]=3 44 B13R2.3028 Cc1[nH]c2ccc(cc2c1C)O 271570a_203496583355_100012262263 [0,1,0,0,0,0|3,0,0]=4 45 B13R2.3028 Cc1nc2ccc(cc2n1C)O 271570a_203496583355_200010218347 [0,1,0,0,0,0|2,0,1]=4 46 B13R2.3028 Cn1c(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100010393459 [0,1,0,0,0,0|1,0,0]=2 47 B13R2.3028 Cn1c(=O)[nH]c2c1nc(nc2)O 271570a_203496583355_100010511113 [0,1,0,0,0,0|3,0,0]=4 48 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,0,0,0|1,0,1]=3 49 B13R2.3028 O=C1Nc2ncc(cc2C1=O)O 271570a_203496583355_100010174890 [0,1,0,0,0,0|2,0,1]=4 50 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,0,0,0|1,0,1]=3 51 B13R2.4856 CN1C(=O)Cc2c1c(ccc2)O 271570a_203496583355_100010870571 [0,1,0,0,0,0|2,0,0]=3 52 B13R2.4856 Cn1c(=O)[nH]c2c1c(ccc2)O 271570a_203496583355_100010994120 [0,1,0,0,0,0|1,0,0]=2 53 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,0,0,0|1,0,1]=3 54 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,1,0,0,0,0|2,0,0]=3 55 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [0,1,0,0,0,0|2,0,0]=3 56 B13R2.5190 Cc1nc2cc(ccc2n1C)O 271570a_203496583355_100000729442 [0,1,0,0,0,0|2,0,1]=4 57 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,1,0,0,0,0|2,0,0]=3 58 B13R2.5190 Cn1c(nc2c1ccc(c2)O)O 271570a_203496583355_100013992850 [0,1,0,0,0,0|1,0,2]=4 59 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,0,0,0|1,0,1]=3 60 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,1,0,0,0|3,0,0]=4 61 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,1,0,0,0|3,0,0]=4 62 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,0,1,0,0,0|3,0,0]=4 63 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,0,1,0,0,0|3,0,0]=4 64 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,0,1,0,0,0|2,0,0]=3 65 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,0,1,0,0,0|2,0,0]=3 66 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,0,1,0,0,0|2,0,0]=3 67 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,0,1,0,0,0|3,0,0]=4 68 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,0,1,0,0,0|2,0,0]=3 69 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,0,1,0,0,0|3,0,0]=4 70 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,0,1,0,0,0|3,0,0]=4 71 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,0,1,0,0,0|2,0,0]=3 72 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,0,1,0,0,0|3,0,0]=4 73 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,1,0,0,0|3,0,0]=4 74 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,0,1,0,0,0|2,0,0]=3 75 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,0,1,0,0,0|2,0,0]=3 76 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,0,1,0,0,0|2,0,1]=4 77 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,1,0,0,0|3,0,0]=4 78 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,1,0,0,0|2,0,0]=3 79 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,1,0,0,0|2,0,0]=3 80 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,1,0,0,0|2,0,0]=3 81 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,1,0,0,0|2,0,0]=3 82 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,0,1,0,0,0|3,0,0]=4 83 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,0,1,0,0,0|3,0,0]=4 84 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,0,1,0,0,0|3,0,0]=4 85 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,0,1,0,0,0|3,0,0]=4 86 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,0,1,0,0,0|3,0,0]=4 87 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,0,1,0,0,0|3,0,0]=4 88 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,0,1,0,0,0|3,0,0]=4 89 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,0,1,0,0,0|3,0,0]=4 90 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,0,1,0,0,0|3,0,0]=4 91 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,0,1,0,0,0|1,0,0]=2 92 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,0,1,0,0,0|2,0,0]=3 93 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,0,1,0,0,0|3,0,0]=4 94 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,0,1,0,0,0|3,0,0]=4 95 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,0,1,0,0,0|3,0,0]=4 96 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,0,1,0,0,0|1,0,0]=2 97 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,0,1,0,0,0|1,0,0]=2 98 B11R1.41 C=CCc1ccccc1NC 2230a_200138433279_200000210301 [0,0,1,0,0,0|3,0,0]=4 99 B11R1.41 C=CCc1ccccc1NC 34a_200138433279_200000210301 [0,0,1,0,0,0|3,0,0]=4 100 B11R1.41 C=CCc1ccccc1N[13CH3] 2230a_200138433279_200025704644 [0,0,1,0,0,0|3,0,0]=4 101 B11R1.41 C=CCc1ccccc1N[13CH3] 34a_200138433279_200025704644 [0,0,1,0,0,0|3,0,0]=4 102 B11R1.41 CC=Cc1ccccc1CO 271570a_100016259895_100000187465 [0,0,1,0,0,0|3,0,0]=4 103 B11R1.41 CC=Cc1ccccc1NC 271570a_100016259895_100020606079 [0,0,1,0,0,0|3,0,0]=4 104 B11R1.41 CC=Cc1ccccc1NN 271570a_100016259895_100000241748 [0,0,1,0,0,0|3,0,0]=4 105 B11R1.41 CCNc1ccccc1CO 34a_100000212039_100000210202 [0,0,1,0,0,0|2,0,1]=4 106 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [0,0,1,0,0,0|2,0,0]=3 107 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [0,0,1,0,0,0|2,0,0]=3 108 B11R1.41 OCc1ccccc1NCF 34a_100000212039_100015361967 [0,0,1,0,0,0|2,0,1]=4 109 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [0,0,1,0,0,0|2,0,0]=3 110 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [0,0,1,0,0,0|2,0,0]=3 111 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [0,0,0,0,0,1|3,0,0]=4 112 B13R2.32 Cc1cnc2ccccc2c1O 271570a_203496583355_100000092342 [0,0,0,0,0,1|2,0,1]=4 113 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [0,0,0,0,0,1|3,0,0]=4 114 B13R2.32 Nc1cnc2ccccc2c1O 271570a_203496583355_100012243074 [0,0,0,0,0,1|2,0,1]=4 115 B13R2.32 Nc1ncc2ccccc2c1O 271570a_203496583355_100009994184 [0,0,0,0,0,1|2,0,1]=4 116 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [0,0,0,0,0,1|1,0,2]=4 117 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [0,0,0,0,0,1|3,0,0]=4 118 B13R2.32 Oc1c(cnc2c1cccc2)Br 271570a_203496583355_200010179490 [0,0,0,0,0,1|2,0,1]=4 119 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [0,0,0,0,0,1|2,0,1]=4 120 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [0,0,0,0,0,1|2,0,1]=4 121 B13R2.32 Oc1nnc2ccccc2c1O 271570a_203496583355_100000688347 [0,0,0,0,0,1|1,0,2]=4 122 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [0,0,0,0,0,1|2,0,1]=4 123 B13R2.328 Cc1cc2ccccc2c(n1)O 271570a_203496583355_100000698243 [0,0,0,0,0,1|3,0,0]=4 124 B13R2.328 Cc1nc(c2ccccc2n1)O 271570a_203496583355_100000230251 [0,0,0,0,0,1|2,0,1]=4 125 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [0,0,0,0,0,1|3,0,0]=4 126 B13R2.328 Nc1cc2ccccc2c(n1)O 271570a_203496583355_100009814382 [0,0,0,0,0,1|3,0,0]=4 127 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [0,0,0,0,0,1|1,0,2]=4 128 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [0,0,0,0,0,1|1,0,0]=2 129 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [0,0,0,0,0,1|2,0,0]=3 130 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [0,0,0,0,0,1|2,0,1]=4 131 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [0,0,0,0,0,1|2,0,1]=4 132 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [0,0,0,0,0,1|3,0,0]=4 133 B13R2.369 Cc1nc2ccccc2nc1O 271570a_203496583355_100000185947 [0,0,0,0,0,1|2,0,1]=4 134 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [0,0,0,0,0,1|3,0,0]=4 135 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [0,0,0,0,0,1|2,0,1]=4 136 B13R2.369 Nc1nc2ccccc2nc1O 271570a_203496583355_100000009970 [0,0,0,0,0,1|2,0,1]=4 137 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,0,0,0,0,1|2,0,0]=3 138 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [0,0,0,0,0,1|3,0,0]=4 139 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [0,0,0,0,0,1|3,0,0]=4 140 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [0,0,0,0,0,1|2,0,1]=4 141 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [0,0,0,0,0,1|2,0,1]=4 142 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [0,0,0,0,0,1|2,0,1]=4 143 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [0,0,0,0,0,1|1,0,2]=4 144 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [0,0,0,0,0,1|1,0,2]=4 145 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [0,0,0,0,0,1|3,0,0]=4 146 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,1,0,0,0|2,0,0]=4 147 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,1,0,0,0|1,0,0]=3 148 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,1,0,0,0|1,0,0]=3 149 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,1,0,0,0|1,0,0]=3 150 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,1,0,0,0|1,0,0]=3 151 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,0,1,0,0,0|1,0,1]=4 152 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,0,1,0,0,0|2,0,0]=4 153 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,0,1,0,0,0|2,0,0]=4 154 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,0,1,0,0,0|2,0,0]=4 155 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,0,1,0,0,0|1,0,1]=4 156 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,0,1,0,0,0|1,0,1]=4 157 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [1,0,1,0,0,0|1,0,1]=4 158 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [1,0,1,0,0,0|2,0,0]=4 159 B10R1.20 C=Cc1ccccc1CO 271570a_100011290941_100000187465 [1,0,1,0,0,0|2,0,0]=4 160 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [1,0,1,0,0,0|2,0,0]=4 161 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [1,0,1,0,0,0|2,0,0]=4 162 B10R1.20 C=Cc1ccccc1NN 271570a_100011290941_100000241748 [1,0,1,0,0,0|2,0,0]=4 163 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [1,0,1,0,0,0|2,0,0]=4 164 B10R1.20 CNc1ccccc1CO 34a_100000212039_200000210301 [1,0,1,0,0,0|1,0,1]=4 165 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [1,0,1,0,0,0|2,0,0]=4 166 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [1,0,1,0,0,0|2,0,0]=4 167 B10R1.20 [13CH3]Nc1ccccc1CO 34a_100000212039_200025704644 [1,0,1,0,0,0|1,0,1]=4 168 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [1,0,1,0,0,0|2,0,0]=4 169 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [1,0,1,0,0,0|2,0,0]=4 170 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,0,1,0,0,0|2,0,0]=4 171 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,1,1,0,0,0|2,0,0]=4 172 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,1,1,0,0,0|2,0,0]=4 173 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,1,1,0,0,0|2,0,0]=4 174 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [0,1,1,0,0,0|2,0,0]=4 175 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [0,1,1,0,0,0|2,0,0]=4 176 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [0,1,1,0,0,0|2,0,0]=4 177 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [0,1,1,0,0,0|2,0,0]=4 178 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [0,1,1,0,0,0|2,0,0]=4 179 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [0,1,1,0,0,0|2,0,0]=4 180 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [0,1,1,0,0,0|2,0,0]=4 181 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [0,1,1,0,0,0|2,0,0]=4 182 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [0,1,1,0,0,0|2,0,0]=4 183 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [0,1,1,0,0,0|2,0,0]=4 184 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [0,1,1,0,0,0|2,0,0]=4 185 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [0,1,1,0,0,0|2,0,0]=4 186 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [0,1,1,0,0,0|2,0,0]=4 187 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [0,1,1,0,0,0|2,0,0]=4 188 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [0,1,1,0,0,0|2,0,0]=4 189 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,1,1,0,0,0|2,0,0]=4 190 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,1,1,0,0,0|2,0,0]=4 191 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,1,1,0,0,0|2,0,0]=4 192 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,1,1,0,0,0|2,0,0]=4 193 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,1,1,0,0,0|2,0,0]=4 194 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,1,1,0,0,0|2,0,0]=4 195 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,1,1,0,0,0|1,0,1]=4 196 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,1,1,0,0,0|2,0,0]=4 197 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,1,1,0,0,0|2,0,0]=4 198 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,1,1,0,0,0|2,0,0]=4 199 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,1,1,0,0,0|2,0,0]=4 200 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,1,1,0,0,0|2,0,0]=4 201 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,1,1,0,0,0|2,0,0]=4 202 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,1,1,0,0,0|2,0,0]=4 203 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [0,1,1,0,0,0|2,0,0]=4 204 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [0,1,1,0,0,0|2,0,0]=4 205 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [0,1,1,0,0,0|2,0,0]=4 206 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,1,1,0,0,0|2,0,0]=4 207 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,1,1,0,0,0|2,0,0]=4 208 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,1,1,0,0,0|2,0,0]=4 209 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,1,1,0,0,0|2,0,0]=4 210 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,1,1,0,0,0|2,0,0]=4 211 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,1,1,0,0,0|2,0,0]=4 212 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,1,1,0,0,0|1,0,0]=3 213 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,1,1,0,0,0|2,0,0]=4 214 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,1,1,0,0,0|2,0,0]=4 215 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,1,1,0,0,0|2,0,0]=4 216 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,1,1,0,0,0|2,0,0]=4 217 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,1,1,0,0,0|1,0,0]=3 218 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,1,1,0,0,0|2,0,0]=4 219 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [0,1,1,0,0,0|2,0,0]=4 220 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [0,1,1,0,0,0|2,0,0]=4 221 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [0,1,1,0,0,0|2,0,0]=4 222 B12R1.124 CC(=O)N(C)c1ccccc1Br 11a_100020606079_100015343762 [0,1,1,0,0,0|2,0,0]=4 223 B12R1.124 CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100015343762 [0,1,1,0,0,0|2,0,0]=4 224 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [0,1,1,0,0,0|2,0,0]=4 225 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [0,1,1,0,0,0|2,0,0]=4 226 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [0,1,1,0,0,0|2,0,0]=4 227 B12R1.124 CC(=O)N(C)c1ccccc1Cl 11a_100000219374_100015343762 [0,1,1,0,0,0|2,0,0]=4 228 B12R1.124 CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100015343762 [0,1,1,0,0,0|2,0,0]=4 229 B12R1.124 CC(=O)N(C)c1ccccc1F 11a_100000220357_100015343762 [0,1,1,0,0,0|2,0,0]=4 230 B12R1.124 CC(=O)N(C)c1ccccc1F 1626a_100000220357_100015343762 [0,1,1,0,0,0|2,0,0]=4 231 B12R1.124 CC(=O)N(C)c1ccccc1F 22a_100000220357_100000070787 [0,1,1,0,0,0|2,0,0]=4 232 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [0,1,1,0,0,0|2,0,0]=4 233 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [0,1,1,0,0,0|2,0,0]=4 234 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [0,1,1,0,0,0|2,0,0]=4 235 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [0,1,1,0,0,0|2,0,0]=4 236 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [0,1,1,0,0,0|2,0,0]=4 237 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,1,1,0,0,0|2,0,0]=4 238 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,1,1,0,0,0|2,0,0]=4 239 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,1,1,0,0,0|2,0,0]=4 240 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100015343762 [0,1,1,0,0,0|2,0,0]=4 241 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100015343762 [0,1,1,0,0,0|2,0,0]=4 242 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000070787 [0,1,1,0,0,0|2,0,0]=4 243 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100103153847 [0,1,1,0,0,0|2,0,0]=4 244 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,1,1,0,0,0|2,0,0]=4 245 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,1,1,0,0,0|2,0,0]=4 246 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,1,1,0,0,0|2,0,0]=4 247 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100015343762 [0,1,1,0,0,0|2,0,0]=4 248 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100015343762 [0,1,1,0,0,0|2,0,0]=4 249 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000070787 [0,1,1,0,0,0|2,0,0]=4 250 B12R1.225 CC(=O)N(C)c1cccc(c1)F 11a_100020633736_100015343762 [0,1,1,0,0,0|2,0,0]=4 251 B12R1.225 CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100015343762 [0,1,1,0,0,0|2,0,0]=4 252 B12R1.225 CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000070787 [0,1,1,0,0,0|2,0,0]=4 253 B12R1.225 CC(=O)N(C)c1cccc(c1)I 11a_100000221217_100015343762 [0,1,1,0,0,0|2,0,0]=4 254 B12R1.225 CC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100015343762 [0,1,1,0,0,0|2,0,0]=4 255 B12R1.225 CC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000070787 [0,1,1,0,0,0|2,0,0]=4 256 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [0,1,1,0,0,0|2,0,0]=4 257 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,1,1,0,0,0|2,0,0]=4 258 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,1,1,0,0,0|2,0,0]=4 259 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,1,1,0,0,0|2,0,0]=4 260 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [0,1,1,0,0,0|2,0,0]=4 261 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [0,1,1,0,0,0|2,0,0]=4 262 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,1,1,0,0,0|2,0,0]=4 263 B12R1.478 CCN(C(=O)C)c1ccccc1 11a_100000210013_100015343762 [0,1,1,0,0,0|2,0,0]=4 264 B12R1.478 CCN(C(=O)C)c1ccccc1 1626a_100000210013_100015343762 [0,1,1,0,0,0|2,0,0]=4 265 B12R1.478 CCN(C(=O)C)c1ccccc1 22a_100000210013_100000070787 [0,1,1,0,0,0|2,0,0]=4 266 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,1,1,0,0,0|2,0,0]=4 267 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,1,1,0,0,0|2,0,0]=4 268 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,1,1,0,0,0|2,0,0]=4 269 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,1,1,0,0,0|1,0,0]=3 270 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,1,1,0,0,0|1,0,0]=3 271 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,1,1,0,0,0|2,0,0]=4 272 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,1,1,0,0,0|2,0,0]=4 273 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,1,1,0,0,0|1,1,0]=4 274 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,1,1,0,0,0|1,1,0]=4 275 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,1,1,0,0,0|2,0,0]=4 276 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,1,1,0,0,0|2,0,0]=4 277 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,1,1,0,0,0|1,0,0]=3 278 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,1,1,0,0,0|1,0,0]=3 279 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,1,1,0,0,0|1,1,0]=4 280 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,1,1,0,0,0|1,1,0]=4 281 B12R1.32 C#CCC(=O)Nc1ccccc1 1626a_100000106764_100011220946 [0,1,1,0,0,0|2,0,0]=4 282 B12R1.32 C#CCC(=O)Nc1ccccc1 527a_100000106764_100011220946 [0,1,1,0,0,0|2,0,0]=4 283 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,1,1,0,0,0|2,0,0]=4 284 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,1,1,0,0,0|2,0,0]=4 285 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,1,1,0,0,0|2,0,0]=4 286 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,1,1,0,0,0|2,0,0]=4 287 B12R1.32 CC#CC(=O)Nc1ccccc1 22a_100000106764_100000763181 [0,1,1,0,0,0|2,0,0]=4 288 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,1,1,0,0,0|2,0,0]=4 289 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,1,1,0,0,0|2,0,0]=4 290 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,1,1,0,0,0|2,0,0]=4 291 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,1,1,0,0,0|2,0,0]=4 292 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,1,1,0,0,0|2,0,0]=4 293 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,1,1,0,0,0|2,0,0]=4 294 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,1,1,0,0,0|2,0,0]=4 295 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,1,1,0,0,0|1,0,0]=3 296 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,1,1,0,0,0|2,0,0]=4 297 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,1,1,0,0,0|2,0,0]=4 298 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,1,1,0,0,0|1,0,0]=3 299 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,1,1,0,0,0|1,0,0]=3 300 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,1,1,0,0,0|1,0,0]=3 301 B12R1.32 CNCC(=O)Nc1ccccn1 2230a_106832991635_100020662008 [0,1,1,0,0,0|2,0,0]=4 302 B12R1.32 CNCC(=O)Nc1ccccn1 7a_106832991635_100020662008 [0,1,1,0,0,0|2,0,0]=4 303 B12R1.32 CNCC(=O)Nc1ccncc1 2230a_106832991635_100000754145 [0,1,1,0,0,0|2,0,0]=4 304 B12R1.32 CNCC(=O)Nc1ccncc1 7a_106832991635_100000754145 [0,1,1,0,0,0|2,0,0]=4 305 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,1,1,0,0,0|2,0,0]=4 306 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,1,1,0,0,0|2,0,0]=4 307 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,1,1,0,0,0|2,0,0]=4 308 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,1,1,0,0,0|2,0,0]=4 309 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,1,1,0,0,0|1,0,0]=3 310 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,1,1,0,0,0|1,0,0]=3 311 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,1,1,0,0,0|1,0,0]=3 312 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,1,1,0,0,0|1,0,0]=3 313 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,1,1,0,0,0|1,0,0]=3 314 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,1,1,0,0,0|1,0,0]=3 315 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,1,1,0,0,0|2,0,0]=4 316 B12R1.32 CSCC(=O)Nc1ccccc1 11a_100000106764_100000184570 [0,1,1,0,0,0|1,1,0]=4 317 B12R1.32 CSCC(=O)Nc1ccccc1 1626a_100000106764_100000184570 [0,1,1,0,0,0|1,1,0]=4 318 B12R1.32 CSCC(=O)Nc1ccccc1 22a_100000106764_100000184570 [0,1,1,0,0,0|1,1,0]=4 319 B12R1.32 CSCC(=O)Nc1ccccc1 527a_100000106764_100000184570 [0,1,1,0,0,0|1,1,0]=4 320 B12R1.32 CSCC(=O)Nc1ccccc1 62a_100012148978_200000210301 [0,1,1,0,0,0|1,1,0]=4 321 B12R1.32 CSCC(=O)Nc1ccccc1 62a_200000210301_100000182850 [0,1,1,0,0,0|1,1,0]=4 322 B12R1.32 N#CCC(=O)Nc1ccccc1 1626a_100000106764_100051588842 [0,1,1,0,0,0|2,0,0]=4 323 B12R1.32 N#CCC(=O)Nc1ccccc1 22a_100000106764_100051588842 [0,1,1,0,0,0|2,0,0]=4 324 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,1,1,0,0,0|2,0,0]=4 325 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,1,1,0,0,0|2,0,0]=4 326 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,1,1,0,0,0|2,0,0]=4 327 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,1,1,0,0,0|2,0,0]=4 328 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,1,1,0,0,0|2,0,0]=4 329 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,1,1,0,0,0|1,0,0]=3 330 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,1,1,0,0,0|1,0,0]=3 331 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_100012148978_200025704644 [0,1,1,0,0,0|1,1,0]=4 332 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_200025704644_100000182850 [0,1,1,0,0,0|1,1,0]=4 333 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,1,1,0,0,0|2,0,0]=4 334 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,1,1,0,0,0|2,0,0]=4 335 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,1,1,0,0,0|2,0,0]=4 336 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,1,1,0,0,0|2,0,0]=4 337 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,1,1,0,0,0|2,0,0]=4 338 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,1,1,0,0,0|2,0,0]=4 339 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,1,1,0,0,0|2,0,0]=4 340 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,1,1,0,0,0|2,0,0]=4 341 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,1,1,0,0,0|2,0,0]=4 342 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,1,1,0,0,0|2,0,0]=4 343 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,1,1,0,0,0|2,0,0]=4 344 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,1,0,0,0|1,0,1]=4 345 B12R1.43 CC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210198 [0,1,1,0,0,0|2,0,0]=4 346 B12R1.43 CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210198 [0,1,1,0,0,0|2,0,0]=4 347 B12R1.43 CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210198 [0,1,1,0,0,0|2,0,0]=4 348 B12R1.43 CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210198 [0,1,1,0,0,0|2,0,0]=4 349 B12R1.43 CC(F)C(=O)Nc1ccccc1 11a_100000106764_100000062450 [0,1,1,0,0,0|2,0,0]=4 350 B12R1.43 CC(F)C(=O)Nc1ccccc1 1626a_100000106764_100000062450 [0,1,1,0,0,0|2,0,0]=4 351 B12R1.43 CC(F)C(=O)Nc1ccccc1 22a_100000106764_100000062450 [0,1,1,0,0,0|2,0,0]=4 352 B12R1.43 CC(F)C(=O)Nc1ccccc1 527a_100000106764_100000062450 [0,1,1,0,0,0|2,0,0]=4 353 B12R1.43 CN(C)C(=O)Nc1ccccc1 2430a_100000106764_100102631434 [0,1,1,0,0,0|1,0,0]=3 354 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,1,1,0,0,0|2,0,0]=4 355 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,1,1,0,0,0|1,0,0]=3 356 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,1,1,0,0,0|2,0,0]=4 357 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,1,1,0,0,0|1,0,0]=3 358 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,1,1,0,0,0|1,0,0]=3 359 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,1,1,0,0,0|1,0,1]=4 360 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,1,1,0,0,0|2,0,0]=4 361 B12R1.43 O=C(Nc1ccccc1)C(F)F 11a_100000106764_100000210393 [0,1,1,0,0,0|2,0,0]=4 362 B12R1.43 O=C(Nc1ccccc1)C(F)F 1626a_100000106764_100000210393 [0,1,1,0,0,0|2,0,0]=4 363 B12R1.43 O=C(Nc1ccccc1)C(F)F 22a_100000106764_100000210393 [0,1,1,0,0,0|2,0,0]=4 364 B12R1.43 O=C(Nc1ccccc1)C(F)F 527a_100000106764_100000210393 [0,1,1,0,0,0|2,0,0]=4 365 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,1,1,0,0,0|1,0,0]=3 366 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,1,0,0,0|1,0,1]=4 367 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,1,1,0,0,0|2,0,0]=4 368 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,1,1,0,0,0|2,0,0]=4 369 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,1,1,0,0,0|2,0,0]=4 370 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,1,1,0,0,0|2,0,0]=4 371 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,1,1,0,0,0|2,0,0]=4 372 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,1,1,0,0,0|2,0,0]=4 373 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,1,1,0,0,0|2,0,0]=4 374 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,1,1,0,0,0|2,0,0]=4 375 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,1,1,0,0,0|2,0,0]=4 376 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,1,1,0,0,0|2,0,0]=4 377 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,1,1,0,0,0|2,0,0]=4 378 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210414 [0,1,1,0,0,0|2,0,0]=4 379 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210414 [0,1,1,0,0,0|2,0,0]=4 380 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210414 [0,1,1,0,0,0|2,0,0]=4 381 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210414 [0,1,1,0,0,0|2,0,0]=4 382 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [0,1,1,0,0,0|2,0,0]=4 383 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [0,1,1,0,0,0|2,0,0]=4 384 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [0,1,1,0,0,0|2,0,0]=4 385 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [0,1,1,0,0,0|2,0,0]=4 386 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [0,1,1,0,0,0|2,0,0]=4 387 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [0,1,1,0,0,0|2,0,0]=4 388 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [0,1,1,0,0,0|2,0,0]=4 389 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [0,1,1,0,0,0|2,0,0]=4 390 B12R1.49 CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210414 [0,1,1,0,0,0|2,0,0]=4 391 B12R1.49 CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210414 [0,1,1,0,0,0|2,0,0]=4 392 B12R1.49 CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210414 [0,1,1,0,0,0|2,0,0]=4 393 B12R1.49 CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210414 [0,1,1,0,0,0|2,0,0]=4 394 B12R1.49 CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210414 [0,1,1,0,0,0|2,0,0]=4 395 B12R1.49 CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210414 [0,1,1,0,0,0|2,0,0]=4 396 B12R1.49 CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210414 [0,1,1,0,0,0|2,0,0]=4 397 B12R1.49 CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210414 [0,1,1,0,0,0|2,0,0]=4 398 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,1,1,0,0,0|2,0,0]=4 399 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,1,1,0,0,0|2,0,0]=4 400 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,1,1,0,0,0|2,0,0]=4 401 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,1,1,0,0,0|2,0,0]=4 402 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,1,1,0,0,0|2,0,0]=4 403 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,1,1,0,0,0|2,0,0]=4 404 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,1,1,0,0,0|2,0,0]=4 405 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,1,1,0,0,0|2,0,0]=4 406 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,1,1,0,0,0|2,0,0]=4 407 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,1,1,0,0,0|2,0,0]=4 408 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,1,1,0,0,0|2,0,0]=4 409 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,1,1,0,0,0|2,0,0]=4 410 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,1,1,0,0,0|2,0,0]=4 411 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,1,1,0,0,0|2,0,0]=4 412 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,1,1,0,0,0|2,0,0]=4 413 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,1,1,0,0,0|2,0,0]=4 414 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,1,1,0,0,0|2,0,0]=4 415 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,1,1,0,0,0|2,0,0]=4 416 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,1,1,0,0,0|2,0,0]=4 417 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,1,1,0,0,0|2,0,0]=4 418 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,1,1,0,0,0|2,0,0]=4 419 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,1,1,0,0,0|2,0,0]=4 420 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [0,1,1,0,0,0|1,0,0]=3 421 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,1,1,0,0,0|1,0,0]=3 422 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [0,1,1,0,0,0|1,0,0]=3 423 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [0,1,1,0,0,0|1,0,0]=3 424 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [0,1,1,0,0,0|1,0,0]=3 425 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,1,1,0,0,0|1,0,0]=3 426 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,1,1,0,0,0|2,0,0]=4 427 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,1,1,0,0,0|2,0,0]=4 428 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,1,1,0,0,0|1,0,0]=3 429 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,1,1,0,0,0|1,0,0]=3 430 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,1,1,0,0,0|2,0,0]=4 431 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,1,1,0,0,0|2,0,0]=4 432 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,1,1,0,0,0|2,0,0]=4 433 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,1,1,0,0,0|2,0,0]=4 434 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,1,1,0,0,0|1,0,0]=3 435 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,1,1,0,0,0|1,0,0]=3 436 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,1,1,0,0,0|1,0,0]=3 437 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,1,1,0,0,0|1,0,0]=3 438 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,1,1,0,0,0|1,0,0]=3 439 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,1,1,0,0,0|1,0,0]=3 440 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,1,1,0,0,0|1,0,0]=3 441 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,1,1,0,0,0|1,0,0]=3 442 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,1,1,0,0,0|1,0,0]=3 443 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,1,1,0,0,0|2,0,0]=4 444 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,1,1,0,0,0|2,0,0]=4 445 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,1,1,0,0,0|2,0,0]=4 446 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,1,1,0,0,0|2,0,0]=4 447 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,1,1,0,0,0|2,0,0]=4 448 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,1,1,0,0,0|2,0,0]=4 449 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,1,1,0,0,0|2,0,0]=4 450 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,1,1,0,0,0|2,0,0]=4 451 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,1,1,0,0,0|2,0,0]=4 452 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,1,1,0,0,0|2,0,0]=4 453 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,1,1,0,0,0|2,0,0]=4 454 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,1,1,0,0,0|2,0,0]=4 455 B12R1.50 CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210414 [0,1,1,0,0,0|2,0,0]=4 456 B12R1.50 CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210414 [0,1,1,0,0,0|2,0,0]=4 457 B12R1.50 CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210414 [0,1,1,0,0,0|2,0,0]=4 458 B12R1.50 CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210414 [0,1,1,0,0,0|2,0,0]=4 459 B12R1.50 CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210414 [0,1,1,0,0,0|2,0,0]=4 460 B12R1.50 CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210414 [0,1,1,0,0,0|2,0,0]=4 461 B12R1.50 CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210414 [0,1,1,0,0,0|2,0,0]=4 462 B12R1.50 CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210414 [0,1,1,0,0,0|2,0,0]=4 463 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210414 [0,1,1,0,0,0|2,0,0]=4 464 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210414 [0,1,1,0,0,0|2,0,0]=4 465 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210414 [0,1,1,0,0,0|2,0,0]=4 466 B12R1.50 CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210414 [0,1,1,0,0,0|2,0,0]=4 467 B12R1.50 CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210414 [0,1,1,0,0,0|2,0,0]=4 468 B12R1.50 CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210414 [0,1,1,0,0,0|2,0,0]=4 469 B12R1.50 CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210414 [0,1,1,0,0,0|2,0,0]=4 470 B12R1.50 CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210414 [0,1,1,0,0,0|2,0,0]=4 471 B12R1.50 CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210414 [0,1,1,0,0,0|2,0,0]=4 472 B12R1.50 CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210414 [0,1,1,0,0,0|2,0,0]=4 473 B12R1.50 CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210414 [0,1,1,0,0,0|2,0,0]=4 474 B12R1.50 CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210414 [0,1,1,0,0,0|2,0,0]=4 475 B12R1.50 CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210414 [0,1,1,0,0,0|2,0,0]=4 476 B12R1.50 CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210414 [0,1,1,0,0,0|2,0,0]=4 477 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,1,1,0,0,0|2,0,0]=4 478 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,1,1,0,0,0|2,0,0]=4 479 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,1,1,0,0,0|2,0,0]=4 480 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,1,1,0,0,0|2,0,0]=4 481 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,1,1,0,0,0|2,0,0]=4 482 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,1,1,0,0,0|2,0,0]=4 483 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,1,1,0,0,0|2,0,0]=4 484 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,1,1,0,0,0|2,0,0]=4 485 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,1,1,0,0,0|2,0,0]=4 486 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,1,1,0,0,0|2,0,0]=4 487 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,1,1,0,0,0|2,0,0]=4 488 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,1,1,0,0,0|2,0,0]=4 489 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,1,1,0,0,0|2,0,0]=4 490 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,1,1,0,0,0|2,0,0]=4 491 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,1,1,0,0,0|2,0,0]=4 492 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,1,1,0,0,0|2,0,0]=4 493 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,1,1,0,0,0|2,0,0]=4 494 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,1,1,0,0,0|2,0,0]=4 495 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,1,1,0,0,0|2,0,0]=4 496 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,1,1,0,0,0|2,0,0]=4 497 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,1,1,0,0,0|2,0,0]=4 498 B12R1.50 CNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100102657272 [0,1,1,0,0,0|1,0,0]=3 499 B12R1.50 CNC(=O)Nc1cccc(c1)Br 512a_100000210019_100102657272 [0,1,1,0,0,0|1,0,0]=3 500 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,1,1,0,0,0|1,0,0]=3 501 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,1,1,0,0,0|1,0,0]=3 502 B12R1.50 CNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100102657272 [0,1,1,0,0,0|1,0,0]=3 503 B12R1.50 CNC(=O)Nc1cccc(c1)F 2430a_100000210047_100102657272 [0,1,1,0,0,0|1,0,0]=3 504 B12R1.50 CNC(=O)Nc1cccc(c1)F 512a_100000210047_100102657272 [0,1,1,0,0,0|1,0,0]=3 505 B12R1.50 CNC(=O)Nc1cccc(c1)I 2430a_100000211102_100102657272 [0,1,1,0,0,0|1,0,0]=3 506 B12R1.50 CNC(=O)Nc1cccc(c1)I 512a_100000211102_100102657272 [0,1,1,0,0,0|1,0,0]=3 507 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [0,1,1,0,0,0|1,0,0]=3 508 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [0,1,1,0,0,0|1,0,0]=3 509 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,1,1,0,0,0|2,0,0]=4 510 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,1,1,0,0,0|1,0,0]=3 511 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,1,1,0,0,0|1,0,0]=3 512 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [0,1,1,0,0,0|2,0,0]=4 513 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [0,1,1,0,0,0|2,0,0]=4 514 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [0,1,1,0,0,0|2,0,0]=4 515 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [0,1,1,0,0,0|2,0,0]=4 516 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [0,1,1,0,0,0|2,0,0]=4 517 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,1,1,0,0,0|1,0,0]=3 518 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,1,1,0,0,0|1,0,0]=3 519 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,1,1,0,0,0|1,0,0]=3 520 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,1,1,0,0,0|1,0,0]=3 521 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,1,1,0,0,0|1,0,0]=3 522 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,1,1,0,0,0|1,0,0]=3 523 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,1,1,0,0,0|1,0,0]=3 524 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,1,1,0,0,0|1,0,0]=3 525 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,1,1,0,0,0|1,0,0]=3 526 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,1,1,0,0,0|2,0,0]=4 527 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,1,1,0,0,0|2,0,0]=4 528 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,1,1,0,0,0|2,0,0]=4 529 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,1,1,0,0,0|2,0,0]=4 530 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,1,1,0,0,0|2,0,0]=4 531 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,1,1,0,0,0|2,0,0]=4 532 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,1,1,0,0,0|2,0,0]=4 533 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,1,1,0,0,0|2,0,0]=4 534 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,1,1,0,0,0|2,0,0]=4 535 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [0,1,1,0,0,0|2,0,0]=4 536 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,1,1,0,0,0|2,0,0]=4 537 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,1,1,0,0,0|2,0,0]=4 538 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,1,1,0,0,0|2,0,0]=4 539 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,1,1,0,0,0|2,0,0]=4 540 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,1,1,0,0,0|2,0,0]=4 541 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,1,1,0,0,0|2,0,0]=4 542 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,1,1,0,0,0|2,0,0]=4 543 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,1,1,0,0,0|2,0,0]=4 544 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,1,1,0,0,0|2,0,0]=4 545 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,1,1,0,0,0|2,0,0]=4 546 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,1,1,0,0,0|2,0,0]=4 547 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,1,1,0,0,0|2,0,0]=4 548 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,1,1,0,0,0|2,0,0]=4 549 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,1,1,0,0,0|2,0,0]=4 550 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,1,1,0,0,0|2,0,0]=4 551 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,1,1,0,0,0|2,0,0]=4 552 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,1,1,0,0,0|2,0,0]=4 553 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,1,1,0,0,0|2,0,0]=4 554 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,1,1,0,0,0|2,0,0]=4 555 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,1,1,0,0,0|2,0,0]=4 556 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,1,1,0,0,0|2,0,0]=4 557 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,1,1,0,0,0|2,0,0]=4 558 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,1,1,0,0,0|2,0,0]=4 559 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,1,1,0,0,0|2,0,0]=4 560 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,1,1,0,0,0|2,0,0]=4 561 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,1,1,0,0,0|2,0,0]=4 562 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,1,1,0,0,0|2,0,0]=4 563 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,1,1,0,0,0|2,0,0]=4 564 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,1,1,0,0,0|2,0,0]=4 565 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,1,1,0,0,0|2,0,0]=4 566 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,1,1,0,0,0|2,0,0]=4 567 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,1,1,0,0,0|2,0,0]=4 568 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,1,1,0,0,0|2,0,0]=4 569 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,1,1,0,0,0|2,0,0]=4 570 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,1,1,0,0,0|2,0,0]=4 571 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,1,1,0,0,0|2,0,0]=4 572 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,1,1,0,0,0|2,0,0]=4 573 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,1,1,0,0,0|2,0,0]=4 574 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,1,1,0,0,0|2,0,0]=4 575 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,1,1,0,0,0|2,0,0]=4 576 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,1,1,0,0,0|1,0,0]=3 577 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,1,1,0,0,0|1,0,0]=3 578 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,1,1,0,0,0|1,0,0]=3 579 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,1,1,0,0,0|1,0,0]=3 580 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,1,1,0,0,0|1,0,0]=3 581 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,1,1,0,0,0|1,0,0]=3 582 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,1,1,0,0,0|2,0,0]=4 583 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,1,1,0,0,0|2,0,0]=4 584 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,1,1,0,0,0|1,0,0]=3 585 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,1,1,0,0,0|1,0,0]=3 586 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,1,1,0,0,0|2,0,0]=4 587 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,1,1,0,0,0|2,0,0]=4 588 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,1,1,0,0,0|2,0,0]=4 589 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,1,1,0,0,0|2,0,0]=4 590 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,1,1,0,0,0|2,0,0]=4 591 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,1,1,0,0,0|1,0,0]=3 592 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,1,1,0,0,0|1,0,0]=3 593 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,1,1,0,0,0|1,0,0]=3 594 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,1,1,0,0,0|1,0,0]=3 595 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,1,1,0,0,0|1,0,0]=3 596 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,1,1,0,0,0|1,0,0]=3 597 B12R1.75 C#Cc1ccccc1NC(=O)C 11a_100011470550_100015343762 [0,1,1,0,0,0|2,0,0]=4 598 B12R1.75 C#Cc1ccccc1NC(=O)C 1626a_100011470550_100015343762 [0,1,1,0,0,0|2,0,0]=4 599 B12R1.75 C#Cc1ccccc1NC(=O)C 22a_100011470550_100000070787 [0,1,1,0,0,0|2,0,0]=4 600 B12R1.75 C=Cc1ccccc1NC(=O)C 11a_100012022501_100015343762 [0,1,1,0,0,0|2,0,0]=4 601 B12R1.75 C=Cc1ccccc1NC(=O)C 1626a_100012022501_100015343762 [0,1,1,0,0,0|2,0,0]=4 602 B12R1.75 C=Cc1ccccc1NC(=O)C 22a_100012022501_100000070787 [0,1,1,0,0,0|2,0,0]=4 603 B12R1.75 C=Cc1ccccc1NC(=O)C 271570a_100011290941_100000153524 [0,1,1,0,0,0|2,0,0]=4 604 B12R1.75 C=Cc1ccccc1NC(=O)N 271570a_100011290941_100000742221 [0,1,1,0,0,0|2,0,0]=4 605 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [0,1,1,0,0,0|2,0,0]=4 606 B12R1.75 CC(=O)Nc1ccccc1C#N 11a_100000211148_100015343762 [0,1,1,0,0,0|2,0,0]=4 607 B12R1.75 CC(=O)Nc1ccccc1C#N 1626a_100000211148_100015343762 [0,1,1,0,0,0|2,0,0]=4 608 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,1,1,0,0,0|1,0,0]=3 609 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,1,1,0,0,0|1,0,0]=3 610 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,1,1,0,0,0|2,0,0]=4 611 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,1,1,0,0,0|2,0,0]=4 612 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [0,1,1,0,0,0|2,0,0]=4 613 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [0,1,1,0,0,0|2,0,0]=4 614 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [0,1,1,0,0,0|2,0,0]=4 615 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [0,1,1,0,0,0|2,0,0]=4 616 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [0,1,1,0,0,0|2,0,0]=4 617 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,1,1,0,0,0|1,0,0]=3 618 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,1,1,0,0,0|2,0,0]=4 619 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,1,1,0,0,0|2,0,0]=4 620 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,1,1,0,0,0|2,0,0]=4 621 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,1,1,0,0,0|2,0,0]=4 622 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,1,1,0,0,0|2,0,0]=4 623 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,1,1,0,0,0|2,0,0]=4 624 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [0,1,1,0,0,0|2,0,0]=4 625 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [0,1,1,0,0,0|2,0,0]=4 626 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [0,1,1,0,0,0|2,0,0]=4 627 B12R1.75 CSc1ccccc1NC(=O)N 62a_200000210301_100000742221 [0,1,1,0,0,0|2,0,0]=4 628 B12R1.75 [13CH3]Sc1ccccc1NC(=O)N 62a_200025704644_100000742221 [0,1,1,0,0,0|2,0,0]=4 629 B12R1.121 C#Cc1ccccc1NCC=O 34a_100011470550_200009817547 [0,1,1,0,0,0|2,0,0]=4 630 B12R1.121 C=CCNc1ccccc1CO 34a_100000212039_100015514636 [0,1,1,0,0,0|2,0,0]=4 631 B12R1.121 C=Cc1ccccc1NCC=O 34a_100012022501_200009817547 [0,1,1,0,0,0|2,0,0]=4 632 B12R1.121 CCc1ccccc1NCC=O 2230a_100000212081_200015260668 [0,1,1,0,0,0|2,0,0]=4 633 B12R1.121 CCc1ccccc1NCC=O 34a_100000212081_200009817547 [0,1,1,0,0,0|2,0,0]=4 634 B12R1.121 CCc1ccccc1NCC=O 7a_100000212081_200015260668 [0,1,1,0,0,0|2,0,0]=4 635 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [0,1,1,0,0,0|2,0,0]=4 636 B12R1.121 CNc1ccccc1SCC=O 62a_100020606079_200015260668 [0,1,1,0,0,0|2,0,0]=4 637 B12R1.121 CNc1ccccc1SCC=O 62a_200015260668_100020606079 [0,1,1,0,0,0|2,0,0]=4 638 B12R1.121 COc1ccccc1NCC=O 34a_100000210025_200009817547 [0,1,1,0,0,0|2,0,0]=4 639 B12R1.121 CSc1ccccc1NCC=O 34a_100000211160_200009817547 [0,1,1,0,0,0|2,0,0]=4 640 B12R1.121 N#Cc1ccccc1NCC=O 34a_100000211148_200009817547 [0,1,1,0,0,0|2,0,0]=4 641 B12R1.121 NNc1ccccc1SCC=O 62a_100000241748_200015260668 [0,1,1,0,0,0|2,0,0]=4 642 B12R1.121 NNc1ccccc1SCC=O 62a_200015260668_100000241748 [0,1,1,0,0,0|2,0,0]=4 643 B12R1.121 O=CCNc1ccccc1CO 34a_100000212039_200009817547 [0,1,1,0,0,0|1,0,0]=3 644 B12R1.121 O=CCOc1ccccc1CO 34a_100011216872_200009817547 [0,1,1,0,0,0|2,0,0]=4 645 B12R1.121 O=CCSc1ccccc1CO 62a_100000187465_200015260668 [0,1,1,0,0,0|2,0,0]=4 646 B12R1.121 O=CCSc1ccccc1CO 62a_200015260668_100000187465 [0,1,1,0,0,0|2,0,0]=4 647 B12R1.169 CCSc1ccccc1NC=O 62a_100000210202_200020615051 [0,1,1,0,0,0|2,0,0]=4 648 B12R1.169 CCSc1ccccc1NC=O 62a_200020615051_100000210202 [0,1,1,0,0,0|2,0,0]=4 649 B12R1.169 O=CNc1ccccc1SCF 62a_100015361967_200020615051 [0,1,1,0,0,0|2,0,0]=4 650 B12R1.169 O=CNc1ccccc1SCF 62a_200020615051_100015361967 [0,1,1,0,0,0|2,0,0]=4 651 B12R1.308 CN(CC=O)c1ccccc1Br 2230a_100020606079_200015260668 [0,1,1,0,0,0|2,0,0]=4 652 B12R1.308 CN(CC=O)c1ccccc1Br 269982a_100020606079_200015260668 [0,1,1,0,0,0|2,0,0]=4 653 B12R1.308 CN(CC=O)c1ccccc1Br 34a_100020606079_200009817547 [0,1,1,0,0,0|2,0,0]=4 654 B12R1.308 CN(CC=O)c1ccccc1Cl 2230a_100000219374_200015260668 [0,1,1,0,0,0|2,0,0]=4 655 B12R1.308 CN(CC=O)c1ccccc1Cl 269982a_100000219374_200015260668 [0,1,1,0,0,0|2,0,0]=4 656 B12R1.308 CN(CC=O)c1ccccc1Cl 34a_100000219374_200009817547 [0,1,1,0,0,0|2,0,0]=4 657 B12R1.308 CN(CC=O)c1ccccc1F 2230a_100000220357_200015260668 [0,1,1,0,0,0|2,0,0]=4 658 B12R1.308 CN(CC=O)c1ccccc1F 269982a_100000220357_200015260668 [0,1,1,0,0,0|2,0,0]=4 659 B12R1.308 CN(CC=O)c1ccccc1F 34a_100000220357_200009817547 [0,1,1,0,0,0|2,0,0]=4 660 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [0,1,1,0,0,0|2,0,0]=4 661 B12R1.308 Cc1ccccc1N(C)CC=O 2230a_100000219699_200015260668 [0,1,1,0,0,0|2,0,0]=4 662 B12R1.308 Cc1ccccc1N(C)CC=O 269982a_100000219699_200015260668 [0,1,1,0,0,0|2,0,0]=4 663 B12R1.308 Cc1ccccc1N(C)CC=O 34a_100000219699_200009817547 [0,1,1,0,0,0|2,0,0]=4 664 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [1,1,0,0,0,0|2,0,0]=4 665 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [1,1,0,0,0,0|2,0,0]=4 666 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [1,1,0,0,0,0|2,0,0]=4 667 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [1,1,0,0,0,0|2,0,0]=4 668 B12R2.132 Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009816687 [1,1,0,0,0,0|2,0,0]=4 669 B12R2.132 Cc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100000123028 [1,1,0,0,0,0|2,0,0]=4 670 B12R2.132 Cc1cnc2[nH]cc(c2c1)O 271570a_203496583355_100010246215 [1,1,0,0,0,0|2,0,0]=4 671 B12R2.132 Cn1ccc2c1cc(cc2)O 271570a_203496583355_100011934912 [1,1,0,0,0,0|2,0,0]=4 672 B12R2.132 Cn1cnc2c1cc(cc2)O 271570a_203496583355_100000702186 [1,1,0,0,0,0|1,0,1]=4 673 B12R2.132 Nc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100012353729 [1,1,0,0,0,0|2,0,0]=4 674 B12R2.132 Nc1ccc2scc(c2c1)O 271570a_203496583355_100011178648 [1,1,0,0,0,0|2,0,0]=4 675 B12R2.132 Oc1c[nH]c2c1cc(cn2)F 271570a_203496583355_100010168383 [1,1,0,0,0,0|2,0,0]=4 676 B12R2.132 Oc1n[nH]c2c1cc(cc2)Br 271570a_203496583355_100010186058 [1,1,0,0,0,0|2,0,0]=4 677 B12R2.132 Oc1n[nH]c2c1cc(cc2)Cl 271570a_203496583355_100010174404 [1,1,0,0,0,0|2,0,0]=4 678 B12R2.132 Oc1n[nH]c2c1cc(cc2)F 271570a_203496583355_100011934747 [1,1,0,0,0,0|2,0,0]=4 679 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [1,1,0,0,0,0|2,0,0]=4 680 B12R2.196 Cc1cccc2c1[nH]nc2O 271570a_203496583355_100010186057 [1,1,0,0,0,0|2,0,0]=4 681 B12R2.196 Cn1ccc2c1cccc2O 271570a_203496583355_200011934935 [1,1,0,0,0,0|2,0,0]=4 682 B12R2.196 Cn1cnc2c1cccc2O 271570a_203496583355_100000696766 [1,1,0,0,0,0|1,0,1]=4 683 B12R2.196 Nc1cccc2c1[nH]nc2O 271570a_203496583355_100009888981 [1,1,0,0,0,0|2,0,0]=4 684 B12R2.196 Oc1n[nH]c2c1cccc2Br 271570a_203496583355_100010197283 [1,1,0,0,0,0|2,0,0]=4 685 B12R2.196 Oc1n[nH]c2c1cccc2Cl 271570a_203496583355_100000050086 [1,1,0,0,0,0|2,0,0]=4 686 B12R2.196 Oc1n[nH]c2c1cccc2F 271570a_203496583355_100010231504 [1,1,0,0,0,0|2,0,0]=4 687 B12R2.196 Oc1n[nH]c2c1cccc2O 271570a_203496583355_200010988877 [1,1,0,0,0,0|2,0,0]=4 688 B12R2.203 Cc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100010194227 [1,1,0,0,0,0|2,0,0]=4 689 B12R2.203 Cc1cccc2c1c(n[nH]2)O 271570a_203496583355_100000049903 [1,1,0,0,0,0|2,0,0]=4 690 B12R2.203 Cn1ccc2c1c(ccc2)O 271570a_203496583355_100009817156 [1,1,0,0,0,0|2,0,0]=4 691 B12R2.203 Cn1cnc2c1c(ccc2)O 271570a_203496583355_100010749505 [1,1,0,0,0,0|1,0,1]=4 692 B12R2.203 Nc1cccc2c1c(n[nH]2)O 271570a_203496583355_100010186038 [1,1,0,0,0,0|2,0,0]=4 693 B12R2.203 Oc1c[nH]c2c1c(ccn2)Br 271570a_203496583355_100010212587 [1,1,0,0,0,0|2,0,0]=4 694 B12R2.203 Oc1c[nH]c2c1c(ccn2)F 271570a_203496583355_100010168365 [1,1,0,0,0,0|2,0,0]=4 695 B12R2.203 Oc1c[nH]c2c1c(ncc2)O 271570a_203496583355_100010168626 [1,1,0,0,0,0|2,0,0]=4 696 B12R2.203 Oc1n[nH]c2c1c(ccc2)Br 271570a_203496583355_100010186043 [1,1,0,0,0,0|2,0,0]=4 697 B12R2.203 Oc1n[nH]c2c1c(ccc2)Cl 271570a_203496583355_100000049730 [1,1,0,0,0,0|2,0,0]=4 698 B12R2.203 Oc1n[nH]c2c1c(ccc2)F 271570a_203496583355_100000049989 [1,1,0,0,0,0|2,0,0]=4 699 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [1,1,0,0,0,0|2,0,0]=4 700 B12R2.612 Cc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100000049534 [1,1,0,0,0,0|2,0,0]=4 701 B12R2.612 Cn1ccc2c1ccc(c2)O 271570a_203496583355_100011202928 [1,1,0,0,0,0|2,0,0]=4 702 B12R2.612 Cn1cnc2c1ccc(c2)O 271570a_203496583355_100000718706 [1,1,0,0,0,0|1,0,1]=4 703 B12R2.612 Nc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100009816878 [1,1,0,0,0,0|2,0,0]=4 704 B12R2.612 Oc1n[nH]c2c1ccc(c2)Br 271570a_203496583355_100010186045 [1,1,0,0,0,0|2,0,0]=4 705 B12R2.612 Oc1n[nH]c2c1ccc(c2)Cl 271570a_203496583355_100000049627 [1,1,0,0,0,0|2,0,0]=4 706 B12R2.612 Oc1n[nH]c2c1ccc(c2)F 271570a_203496583355_100000049990 [1,1,0,0,0,0|2,0,0]=4 707 B12R2.2028 Cn1cc(c2c1nccc2)O 271570a_203496583355_100010205794 [1,1,0,0,0,0|2,0,0]=4 708 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [1,1,0,0,0,0|2,0,0]=4 709 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [1,1,0,0,0,0|2,0,0]=4 710 B12R2.32 C=Cc1nc2ccccc2[nH]1 271570a_100011290941_100009814255 [1,1,0,0,0,0|1,0,1]=4 711 B12R2.32 CNc1nc2ccccc2[nH]1 27a_100102657272_100009814255 [1,1,0,0,0,0|1,0,1]=4 712 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [1,1,0,0,0,0|1,1,0]=4 713 B12R2.32 CSc1nc2ccccc2[nH]1 62a_200000210301_100009814255 [1,1,0,0,0,0|0,1,1]=4 714 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [1,1,0,0,0,0|1,1,0]=4 715 B12R2.32 [13CH3]Sc1nc2ccccc2[nH]1 62a_200025704644_100009814255 [1,1,0,0,0,0|0,1,1]=4 716 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [1,1,0,0,0,0|2,0,0]=4 717 B12R2.202 Cc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012360556 [1,1,0,0,0,0|1,0,1]=4 718 B12R2.202 Nc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012356985 [1,1,0,0,0,0|1,0,1]=4 719 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [1,1,0,0,0,0|1,0,0]=3 720 B12R2.202 O=C1Cc2c(ccnc2N1)O 271570a_203496583355_100000104061 [1,1,0,0,0,0|2,0,0]=4 721 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [1,1,0,0,0,0|2,0,0]=4 722 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [1,1,0,0,0,0|1,0,0]=3 723 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [1,1,0,0,0,0|1,0,0]=3 724 B12R2.202 O=c1[nH]c2nccc(c2[nH]1)O 271570a_203496583355_100009840862 [1,1,0,0,0,0|1,0,0]=3 725 B12R2.202 Oc1cc2cccc(c2[nH]1)Br 271570a_203496583355_100135389745 [1,1,0,0,0,0|1,0,1]=4 726 B12R2.202 Oc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012347640 [1,1,0,0,0,0|0,0,2]=4 727 B12R2.606 Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100011214893 [1,1,0,0,0,0|2,0,0]=4 728 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [1,1,0,0,0,0|2,0,0]=4 729 B12R2.606 Cc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100011264012 [1,1,0,0,0,0|1,0,1]=4 730 B12R2.606 Nc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100000764686 [1,1,0,0,0,0|1,0,1]=4 731 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [1,1,0,0,0,0|1,0,0]=3 732 B12R2.606 O=C1Cc2cc(cnc2N1)O 271570a_203496583355_100010177629 [1,1,0,0,0,0|2,0,0]=4 733 B12R2.606 O=C1Cc2cc(ncc2N1)O 271570a_203496583355_100000104063 [1,1,0,0,0,0|2,0,0]=4 734 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [1,1,0,0,0,0|2,0,0]=4 735 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [1,1,0,0,0,0|1,0,0]=3 736 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [1,1,0,0,0,0|2,0,0]=4 737 B12R2.606 O=C1Cc2cnc(cc2N1)O 271570a_203496583355_100000089690 [1,1,0,0,0,0|2,0,0]=4 738 B12R2.606 O=C1Cc2nc(ccc2N1)O 271570a_203496583355_100000087150 [1,1,0,0,0,0|2,0,0]=4 739 B12R2.606 O=C1Cc2ncc(cc2N1)O 271570a_203496583355_100010168558 [1,1,0,0,0,0|2,0,0]=4 740 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [1,1,0,0,0,0|1,0,0]=3 741 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [1,1,0,0,0,0|1,0,0]=3 742 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [1,1,0,0,0,0|0,0,0]=2 743 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [1,1,0,0,0,0|1,0,0]=3 744 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [1,1,0,0,0,0|1,0,0]=3 745 B12R2.606 O=c1[nH]c2ccc(nc2[nH]1)O 271570a_203496583355_100000084209 [1,1,0,0,0,0|1,0,0]=3 746 B12R2.606 O=c1[nH]c2ncc(cc2o1)O 271570a_203496583355_100000721845 [1,1,0,0,0,0|2,0,0]=4 747 B12R2.606 Oc1cc2cc(ccc2[nH]1)Br 271570a_203496583355_100011012855 [1,1,0,0,0,0|1,0,1]=4 748 B14R2.92 O=Cc1ccc2ccccc2c1O 271570a_203496583355_100009813496 [0,1,0,0,0,1|2,0,0]=4 749 B14R2.4513 CN1C(=O)COc2c1cc(cc2)O 271570a_203496583355_100010196913 [0,1,0,0,0,1|2,0,0]=4 750 B14R2.4513 Cn1c(=O)ccc2c1cc(cc2)O 271570a_203496583355_200010167779 [0,1,0,0,0,1|2,0,0]=4 751 B14R2.4513 Cn1c(=O)cnc2c1cc(cc2)O 271570a_203496583355_100010221214 [0,1,0,0,0,1|1,0,1]=4 752 B14R2.7724 Cn1c(=O)cc(c2c1cccc2)O 271570a_203496583355_100000041018 [0,1,0,0,0,1|2,0,0]=4 753 B14R2.29369 CN1C(=O)CCc2c1ccc(c2)O 271570a_203496583355_100000699942 [0,1,0,0,0,1|2,0,0]=4 754 B14R2.29369 CN1C(=O)COc2c1ccc(c2)O 271570a_203496583355_100010240413 [0,1,0,0,0,1|2,0,0]=4 755 B14R2.1146 C=Cc1cc(=O)[nH]c2c1cccc2 271570a_100011290941_100000075698 [0,1,0,0,0,1|2,0,0]=4 756 B14R2.1146 CNc1cc(=O)[nH]c2c1cccc2 27a_100102657272_100000075698 [0,1,0,0,0,1|2,0,0]=4 757 B14R2.1146 CSc1cc(=O)[nH]c2c1cccc2 62a_200000210301_100000075698 [0,1,0,0,0,1|1,1,0]=4 758 B14R2.1146 [13CH3]Sc1cc(=O)[nH]c2c1cccc2 62a_200025704644_100000075698 [0,1,0,0,0,1|1,1,0]=4 759 B14R2.8045 O=c1[nH]c(=O)c2cccc(c2[nH]1)O 271570a_203496583355_100012357391 [0,1,0,0,0,1|1,0,1]=4 760 B14R2.8045 O=c1[nH]c2c(cccc2c(=O)o1)O 271570a_203496583355_100000695655 [0,1,0,0,0,1|1,0,1]=4 761 B14R2.8045 O=c1cc(c2cccc(c2[nH]1)O)O 271570a_203496583355_200010201894 [0,1,0,0,0,1|1,0,0]=3 762 B14R2.8235 Cc1cc(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100009820897 [0,1,0,0,0,1|2,0,0]=4 763 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011934062 [0,1,0,0,0,1|1,0,1]=4 764 B14R2.8235 O=c1[nH]c2ccc(cc2c(=O)o1)O 271570a_203496583355_100000216498 [0,1,0,0,0,1|1,0,1]=4 765 B14R2.8235 O=c1cc(c2cc(ccc2[nH]1)O)O 271570a_203496583355_100000695641 [0,1,0,0,0,1|1,0,0]=3 766 B14R2.8235 O=c1cc(c2cc(ccc2o1)O)O 271570a_203496583355_100009814091 [0,1,0,0,0,1|2,0,0]=4 767 B14R2.28480 O=c1[nH]c2cccc(c2c(=O)o1)O 271570a_203496583355_100010201677 [0,1,0,0,0,1|1,0,1]=4 768 B14R2.29365 O=c1[nH]c(=O)c2ccc(cc2[nH]1)O 271570a_203496583355_100012351534 [0,1,0,0,0,1|1,0,1]=4 769 B14R2.29365 O=c1[nH]c2cc(ccc2c(=O)o1)O 271570a_203496583355_100000723304 [0,1,0,0,0,1|1,0,1]=4 770 B14R2.29365 O=c1cc(c2ccc(cc2o1)O)O 271570a_203496583355_100010062223 [0,1,0,0,0,1|2,0,0]=4 771 B14R2.1128 COc1cc2ccccc2oc1=O 7a_100000061252_200000210301 [0,1,0,0,0,1|2,0,0]=4 772 B14R2.1128 O=Cc1cc2ccccc2nc1O 271570a_203496583355_100000183649 [0,1,0,0,0,1|2,0,0]=4 773 B14R2.1128 [13CH3]Oc1cc2ccccc2oc1=O 7a_100000061252_200025704644 [0,1,0,0,0,1|2,0,0]=4 774 B14R2.8239 CC1Oc2ccc(cc2NC1=O)O 271570a_203496583355_100000745501 [0,1,0,0,0,1|2,0,0]=4 775 B14R2.8239 CN1Cc2cc(ccc2NC1=O)O 271570a_203496583355_100000188780 [0,1,0,0,0,1|1,0,0]=3 776 B14R2.8239 CN1Cc2cc(ccc2OC1=O)O 271570a_203496583355_100015193643 [0,1,0,0,0,1|2,0,0]=4 777 B14R2.8239 O=c1[nH]c2ccc(cc2[nH]c1=O)O 271570a_203496583355_100011221361 [0,1,0,0,0,1|1,0,1]=4 778 B14R2.28472 CN1Cc2c(cccc2NC1=O)O 271570a_203496583355_200010992586 [0,1,0,0,0,1|1,0,0]=3 779 B14R2.517 CCSC1C(=O)Nc2c1cccc2 62a_100000210202_200009996675 [0,2,0,0,0,0|1,1,0]=4 780 B14R2.517 O=C1Nc2ccccc2C1SCF 62a_100015361967_200009996675 [0,2,0,0,0,0|1,1,0]=4 781 B14R2.642 CN(C)C1C(=O)Nc2c1cccc2 269982a_100102631434_200009996675 [0,2,0,0,0,0|2,0,0]=4 782 B14R2.17474 CC1(C(=O)Nc2c1cccc2)O[13CH3] 34a_100000695988_200025704644 [0,2,0,0,0,0|1,0,0]=3 783 B14R2.17474 COC1(C(=O)Nc2c1cccc2)C 34a_100000695988_200000210301 [0,2,0,0,0,0|1,0,0]=3 784 B14R2.19008 CCC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_200009816826 [0,2,0,0,0,0|2,0,0]=4 785 B14R2.4646 CC1(C(=O)Nc2c1ccc(c2)O)C 271570a_203496583355_100000686694 [0,2,0,0,0,0|2,0,0]=4 786 B14R2.645 O=C1Nc2cc(c(cc2C1=O)O)F 271570a_203496583355_100000738794 [0,2,0,0,0,0|1,0,1]=4 787 B14R2.3274 C=Cc1ccc2[nH]c(=O)n(c2c1)C 271570a_100011290941_100010393459 [0,2,0,0,0,0|1,0,0]=3 788 B14R2.3274 C=Cc1ccc2c(c1)C(=O)C(=O)N2 271570a_100011290941_100000024671 [0,2,0,0,0,0|1,0,1]=4 789 B14R2.3274 C=Cc1ccc2c(c1)C(C(=O)N2)C 271570a_100011290941_100010251565 [0,2,0,0,0,0|2,0,0]=4 790 B14R2.3274 C=Cc1ccc2c(c1)N(C(=O)C2)C 271570a_100011290941_100010285470 [0,2,0,0,0,0|2,0,0]=4 791 B14R2.3274 CC1C(=O)Nc2c1cc(cc2)S[13CH3] 62a_200025704644_100010251565 [0,2,0,0,0,0|2,0,0]=4 792 B14R2.3274 CN1C(=O)Cc2c1cc(cc2)S[13CH3] 62a_200025704644_100010285470 [0,2,0,0,0,0|2,0,0]=4 793 B14R2.3274 CSc1ccc2c(c1)C(=O)C(=O)N2 62a_100000024671_200000210301 [0,2,0,0,0,0|1,0,1]=4 794 B14R2.3274 CSc1ccc2c(c1)C(=O)C(=O)N2 62a_200000210301_100000024671 [0,2,0,0,0,0|1,0,1]=4 795 B14R2.3274 CSc1ccc2c(c1)C(C(=O)N2)C 62a_200000210301_100010251565 [0,2,0,0,0,0|2,0,0]=4 796 B14R2.3274 CSc1ccc2c(c1)N(C(=O)C2)C 62a_200000210301_100010285470 [0,2,0,0,0,0|2,0,0]=4 797 B14R2.3274 [13CH3]Sc1ccc2c(c1)C(=O)C(=O)N2 62a_100000024671_200025704644 [0,2,0,0,0,0|1,0,1]=4 798 B14R2.3274 [13CH3]Sc1ccc2c(c1)C(=O)C(=O)N2 62a_200025704644_100000024671 [0,2,0,0,0,0|1,0,1]=4 799 B14R2.4506 Cc1ccc2c(c1O)C(=O)C(=O)N2 271570a_203496583355_100000685568 [0,2,0,0,0,0|1,0,1]=4 800 B14R2.4506 O=C1Nc2ccc(c(c2C1=O)O)F 271570a_203496583355_100021489443 [0,2,0,0,0,0|1,0,1]=4 801 B14R2.8716 CN1C(=O)C(=O)c2c1cc(cc2)O 271570a_203496583355_100011232274 [0,2,0,0,0,0|1,0,1]=4 802 B14R2.8716 CN1C(=O)C(=O)c2c1ccc(c2)O 271570a_203496583355_100000187606 [0,2,0,0,0,0|1,0,1]=4 803 B14R2.9184 Cc1cc(c2c(c1)C(=O)C(=O)N2)O 271570a_203496583355_100000216493 [0,2,0,0,0,0|1,0,1]=4 804 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)O 271570a_203496583355_100000738869 [0,2,0,0,0,0|1,0,1]=4 805 B14R2.9184 O=C1Nc2c(cc(cc2C1=O)F)O 271570a_203496583355_100000182523 [0,2,0,0,0,0|1,0,1]=4 806 B14R2.9184 O=C1Nc2c(cc(cc2C1=O)O)F 271570a_203496583355_200000754225 [0,2,0,0,0,0|1,0,1]=4 807 B14R2.8620 Cc1ccc(c2c1NC(=O)C2=O)O 271570a_203496583355_100000756257 [0,2,0,0,0,0|1,0,1]=4 808 B14R2.8620 O=C1Nc2c(ccc(c2C1=O)F)O 271570a_203496583355_100000716705 [0,2,0,0,0,0|1,0,1]=4 809 B14R2.8737 O=C1Nc2c(ccc(c2F)O)C1=O 271570a_203496583355_100011000547 [0,2,0,0,0,0|1,0,1]=4 810 B14R2.11645 C=Cc1cccc2c1NC(=O)C2=O 271570a_100011290941_100000183292 [0,2,0,0,0,0|1,0,1]=4 811 B14R2.11645 CSc1cccc2c1NC(=O)C2=O 62a_100000183292_200000210301 [0,2,0,0,0,0|1,0,1]=4 812 B14R2.11645 [13CH3]Sc1cccc2c1NC(=O)C2=O 62a_100000183292_200025704644 [0,2,0,0,0,0|1,0,1]=4 813 B14R2.11690 C=Cc1cccc2c1C(=O)C(=O)N2 271570a_100011290941_100000697038 [0,2,0,0,0,0|1,0,1]=4 814 B14R2.11690 C=Cc1cccc2c1N(C(=O)C2)C 271570a_100011290941_100010870571 [0,2,0,0,0,0|2,0,0]=4 815 B14R2.11690 C=Cc1cccc2c1n(c(=O)[nH]2)C 271570a_100011290941_100010994120 [0,2,0,0,0,0|1,0,0]=3 816 B14R2.11690 CN1C(=O)Cc2c1c(ccc2)S[13CH3] 62a_200025704644_100010870571 [0,2,0,0,0,0|2,0,0]=4 817 B14R2.11690 CSc1cccc2c1C(=O)C(=O)N2 62a_100000697038_200000210301 [0,2,0,0,0,0|1,0,1]=4 818 B14R2.11690 CSc1cccc2c1C(=O)C(=O)N2 62a_200000210301_100000697038 [0,2,0,0,0,0|1,0,1]=4 819 B14R2.11690 CSc1cccc2c1N(C(=O)C2)C 62a_200000210301_100010870571 [0,2,0,0,0,0|2,0,0]=4 820 B14R2.11690 CSc1cccc2c1n(c(=O)[nH]2)C 62a_200000210301_100010994120 [0,2,0,0,0,0|1,0,0]=3 821 B14R2.11690 Cn1c(=O)[nH]c2c1c(ccc2)S[13CH3] 62a_200025704644_100010994120 [0,2,0,0,0,0|1,0,0]=3 822 B14R2.11690 [13CH3]Sc1cccc2c1C(=O)C(=O)N2 62a_100000697038_200025704644 [0,2,0,0,0,0|1,0,1]=4 823 B14R2.11690 [13CH3]Sc1cccc2c1C(=O)C(=O)N2 62a_200025704644_100000697038 [0,2,0,0,0,0|1,0,1]=4 824 B14R2.27750 Cn1c(=O)[nH]c2c1c(cc(c2)F)O 271570a_203496583355_100015762564 [0,2,0,0,0,0|1,0,0]=3 825 B14R2.1815 C=Cc1ccc2c(c1)CC(=O)N2C 271570a_100011290941_100000183948 [0,2,0,0,0,0|2,0,0]=4 826 B14R2.1815 C=Cc1ccc2c(c1)NC(=O)C2=O 271570a_100011290941_100000239657 [0,2,0,0,0,0|1,0,1]=4 827 B14R2.1815 C=Cc1ccc2c(c1)NC(=O)C2C 271570a_100011290941_100010201481 [0,2,0,0,0,0|2,0,0]=4 828 B14R2.1815 C=Cc1ccc2c(c1)oc(=O)n2C 271570a_100011290941_100000753874 [0,2,0,0,0,0|2,0,0]=4 829 B14R2.1815 CC1C(=O)Nc2c1ccc(c2)S[13CH3] 62a_200025704644_100010201481 [0,2,0,0,0,0|2,0,0]=4 830 B14R2.1815 CN1C(=O)Cc2c1ccc(c2)S[13CH3] 62a_200025704644_100000183948 [0,2,0,0,0,0|2,0,0]=4 831 B14R2.1815 CSc1ccc2c(c1)CC(=O)N2C 62a_200000210301_100000183948 [0,2,0,0,0,0|2,0,0]=4 832 B14R2.1815 CSc1ccc2c(c1)NC(=O)C2=O 62a_100000239657_200000210301 [0,2,0,0,0,0|1,0,1]=4 833 B14R2.1815 CSc1ccc2c(c1)NC(=O)C2=O 62a_200000210301_100000049690 [0,2,0,0,0,0|1,0,1]=4 834 B14R2.1815 CSc1ccc2c(c1)NC(=O)C2C 62a_200000210301_100010201481 [0,2,0,0,0,0|2,0,0]=4 835 B14R2.1815 [13CH3]Sc1ccc2c(c1)NC(=O)C2=O 62a_100000239657_200025704644 [0,2,0,0,0,0|1,0,1]=4 836 B14R2.1815 [13CH3]Sc1ccc2c(c1)NC(=O)C2=O 62a_200025704644_100000049690 [0,2,0,0,0,0|1,0,1]=4 837 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,0,1,0,0,1|2,0,0]=4 838 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,0,1,0,0,1|2,0,0]=4 839 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,0,1,0,0,1|2,0,0]=4 840 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,0,1,0,0,1|2,0,0]=4 841 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,0,1,0,0,1|1,0,0]=3 842 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,0,1,0,0,1|1,0,0]=3 843 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,0,1,0,0,1|1,0,0]=3 844 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,0,1,0,0,1|1,0,0]=3 845 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,0,1,0,0,1|1,0,0]=3 846 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,0,1,0,0,1|2,0,0]=4 847 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,0,1,0,0,1|2,0,0]=4 848 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,0,1,0,0,1|2,0,0]=4 849 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,0,1,0,0,1|2,0,0]=4 850 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,0,1,0,0,1|1,0,1]=4 851 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,0,1,0,0,1|2,0,0]=4 852 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,0,1,0,0,1|1,0,0]=3 853 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,0,1,0,0,1|1,0,0]=3 854 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,0,1,0,0,1|2,0,0]=4 855 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,0,1,0,0,1|2,0,0]=4 856 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,0,1,0,0,1|2,0,0]=4 857 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,0,1,0,0,1|2,0,0]=4 858 B12R1.27 CC(=NNc1ccccc1)CO 4a_100015195140_100000211253 [0,0,1,0,0,1|2,0,0]=4 859 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,0,1,0,0,1|2,0,0]=4 860 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,0,1,0,0,1|2,0,0]=4 861 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,0,1,0,0,1|2,0,0]=4 862 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,0,1,0,0,1|2,0,0]=4 863 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,0,1,0,0,1|2,0,0]=4 864 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,0,1,0,0,1|2,0,0]=4 865 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,0,1,0,0,1|2,0,0]=4 866 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,0,1,0,0,1|2,0,0]=4 867 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,0,1,0,0,1|2,0,0]=4 868 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,0,1,0,0,1|2,0,0]=4 869 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,0,1,0,0,1|2,0,0]=4 870 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,0,1,0,0,1|2,0,0]=4 871 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,0,1,0,0,1|1,0,0]=3 872 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,0,1,0,0,1|2,0,0]=4 873 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,0,1,0,0,1|2,0,0]=4 874 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,0,1,0,0,1|2,0,0]=4 875 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,0,1,0,0,1|2,0,0]=4 876 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,0,1,0,0,1|2,0,0]=4 877 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,0,1,0,0,1|2,0,0]=4 878 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,0,1,0,0,1|2,0,0]=4 879 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,0,1,0,0,1|2,0,0]=4 880 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,0,1,0,0,1|2,0,0]=4 881 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,0,1,0,0,1|2,0,0]=4 882 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,0,1,0,0,1|2,0,0]=4 883 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,0,1,0,0,1|2,0,0]=4 884 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,0,1,0,0,1|1,0,0]=3 885 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,0,1,0,0,1|1,0,0]=3 886 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,0,1,0,0,1|1,0,0]=3 887 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,0,1,0,0,1|1,0,0]=3 888 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,0,1,0,0,1|1,0,0]=3 889 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,0,1,0,0,1|1,0,0]=3 890 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,0,1,0,0,1|2,0,0]=4 891 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,0,1,0,0,1|2,0,0]=4 892 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,0,1,0,0,1|2,0,0]=4 893 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,0,1,0,0,1|2,0,0]=4 894 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,0,1,0,0,1|2,0,0]=4 895 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [0,0,1,0,0,1|2,0,0]=4 896 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [0,0,1,0,0,1|2,0,0]=4 897 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [0,0,1,0,0,1|2,0,0]=4 898 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [0,0,1,0,0,1|2,0,0]=4 899 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [0,0,1,0,0,1|2,0,0]=4 900 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [0,0,1,0,0,1|2,0,0]=4 901 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100000210450_106832991635 [0,0,1,0,0,1|2,0,0]=4 902 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100102657272_100000210450 [0,0,1,0,0,1|2,0,0]=4 903 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100000210450_100102657272 [0,0,1,0,0,1|2,0,0]=4 904 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100102657272_100000210450 [0,0,1,0,0,1|2,0,0]=4 905 B12R1.27 CNC(=O)NCc1ccncc1 512a_106832991638_100000210450 [0,0,1,0,0,1|2,0,0]=4 906 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,0,1,0,0,1|1,0,0]=3 907 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,0,1,0,0,1|1,0,0]=3 908 B12R1.27 CNC(=O)NNc1ccccn1 273464a_100102657272_100000183288 [0,0,1,0,0,1|2,0,0]=4 909 B12R1.27 CNC(=O)NNc1ccccn1 512a_106832991638_100000183288 [0,0,1,0,0,1|2,0,0]=4 910 B12R1.27 CNC(=O)NNc1cccnc1 273464a_100102657272_100000728903 [0,0,1,0,0,1|2,0,0]=4 911 B12R1.27 CNC(=O)NNc1cccnc1 512a_106832991638_100000728903 [0,0,1,0,0,1|2,0,0]=4 912 B12R1.27 CNC(=O)NNc1ccncc1 273464a_100102657272_100000698918 [0,0,1,0,0,1|2,0,0]=4 913 B12R1.27 CNC(=O)NNc1ccncc1 512a_106832991638_100000698918 [0,0,1,0,0,1|2,0,0]=4 914 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,0,1,0,0,1|2,0,0]=4 915 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,0,1,0,0,1|2,0,0]=4 916 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,0,1,0,0,1|1,0,0]=3 917 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,0,1,0,0,1|1,0,0]=3 918 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,0,1,0,0,1|2,0,0]=4 919 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,0,1,0,0,1|2,0,0]=4 920 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,0,1,0,0,1|2,0,0]=4 921 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,0,1,0,0,1|2,0,0]=4 922 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [0,0,1,0,0,1|2,0,0]=4 923 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [0,0,1,0,0,1|2,0,0]=4 924 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,0,1,0,0,1|1,0,0]=3 925 B12R1.27 O=C(CO)NNc1ccccn1 22a_100000183288_100000210174 [0,0,1,0,0,1|2,0,0]=4 926 B12R1.27 O=C(CO)NNc1cccnc1 22a_100000728903_100000210174 [0,0,1,0,0,1|2,0,0]=4 927 B12R1.27 O=C(CO)NNc1ccncc1 22a_100000698918_100000210174 [0,0,1,0,0,1|2,0,0]=4