0 B14R2.6419 CC=Cc1c[nH]c2c1cc(cn2)C 271570a_100016259895_100010246215 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.6419 CC=Cc1c[nH]c2c1cc(cn2)F 271570a_100016259895_100010168383 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.6419 CC=Cc1csc2c1cc(cc2)N 271570a_100016259895_100011178648 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.6419 CC=Cc1n[nH]c2c1cc(cc2)Br 271570a_100016259895_100010186058 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.6419 CC=Cc1n[nH]c2c1cc(cc2)C 271570a_100016259895_100000123028 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.6419 CC=Cc1n[nH]c2c1cc(cc2)Cl 271570a_100016259895_100010174404 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.6419 CC=Cc1n[nH]c2c1cc(cc2)F 271570a_100016259895_100011934747 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.6419 CC=Cc1n[nH]c2c1cc(cc2)N 271570a_100016259895_100012353729 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.6419 CNCc1csc2c1cc(cc2)Br 207a_100102657272_100009814807 [0,0,0,0,0,0|4,0,0]=4 9 B14R2.6419 CNCc1csc2c1cc(cc2)Br 270004a_106832991635_100009814807 [0,0,0,0,0,0|4,0,0]=4 10 B14R2.6419 CNCc1csc2c1cc(cc2)Cl 207a_100102657272_100000040578 [0,0,0,0,0,0|4,0,0]=4 11 B14R2.6419 CNCc1csc2c1cc(cc2)Cl 2230a_106832991635_100009814428 [0,0,0,0,0,0|4,0,0]=4 12 B14R2.6419 CNCc1csc2c1cc(cc2)Cl 270004a_106832991635_100000040578 [0,0,0,0,0,0|4,0,0]=4 13 B14R2.6419 CNCc1csc2c1cc(cc2)Cl 34a_100102657272_100009814428 [0,0,0,0,0,0|4,0,0]=4 14 B14R2.6419 CNCc1csc2c1cc(cc2)Cl 7a_106832991635_100009814428 [0,0,0,0,0,0|4,0,0]=4 15 B14R2.6419 CNCc1csc2c1cc(cc2)F 2230a_106832991635_100010109839 [0,0,0,0,0,0|4,0,0]=4 16 B14R2.6419 CNCc1csc2c1cc(cc2)F 34a_100102657272_100010109839 [0,0,0,0,0,0|4,0,0]=4 17 B14R2.6419 CNCc1csc2c1cc(cc2)F 7a_106832991635_100010109839 [0,0,0,0,0,0|4,0,0]=4 18 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)Br 207a_100102657272_100009888965 [0,0,0,0,0,0|4,0,0]=4 19 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)Br 270004a_106832991635_100009888965 [0,0,0,0,0,0|4,0,0]=4 20 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)C 207a_100102657272_100000050950 [0,0,0,0,0,0|4,0,0]=4 21 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)C 270004a_106832991635_100000050950 [0,0,0,0,0,0|4,0,0]=4 22 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)Cl 207a_100102657272_100000086617 [0,0,0,0,0,0|4,0,0]=4 23 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)Cl 270004a_106832991635_100000086617 [0,0,0,0,0,0|4,0,0]=4 24 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)F 207a_100102657272_100000084349 [0,0,0,0,0,0|4,0,0]=4 25 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)F 270004a_106832991635_100000084349 [0,0,0,0,0,0|4,0,0]=4 26 B14R2.6419 COCc1csc2c1cc(cc2)Cl 34a_100138415774_100009814428 [0,0,0,0,0,0|4,0,0]=4 27 B14R2.6419 COCc1csc2c1cc(cc2)Cl 34a_200000043707_200000210301 [0,0,0,0,0,0|4,0,0]=4 28 B14R2.6419 COCc1csc2c1cc(cc2)Cl 7a_200000043707_200000210301 [0,0,0,0,0,0|4,0,0]=4 29 B14R2.6419 COCc1csc2c1cc(cc2)F 34a_100138415774_100010109839 [0,0,0,0,0,0|4,0,0]=4 30 B14R2.6419 CSCc1csc2c1cc(cc2)Cl 62a_100009814428_200000210301 [0,0,0,0,0,0|4,0,0]=4 31 B14R2.6419 CSCc1csc2c1cc(cc2)Cl 62a_200000210301_100009814428 [0,0,0,0,0,0|4,0,0]=4 32 B14R2.6419 CSCc1csc2c1cc(cc2)F 62a_100010109839_200000210301 [0,0,0,0,0,0|4,0,0]=4 33 B14R2.6419 CSCc1csc2c1cc(cc2)F 62a_200000210301_100010109839 [0,0,0,0,0,0|4,0,0]=4 34 B14R2.6419 NCCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100016990496 [0,0,0,0,0,0|1,0,1]=2 35 B14R2.6419 NCCc1csc2c1cc(cc2)O 271570a_203496583355_100016989105 [0,0,0,0,0,0|2,0,1]=3 36 B14R2.6419 OCCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100011933977 [0,0,0,0,0,0|0,0,2]=2 37 B14R2.6419 [13CH3]OCc1csc2c1cc(cc2)Cl 34a_200000043707_200025704644 [0,0,0,0,0,0|4,0,0]=4 38 B14R2.6419 [13CH3]OCc1csc2c1cc(cc2)Cl 7a_200000043707_200025704644 [0,0,0,0,0,0|4,0,0]=4 39 B14R2.6419 [13CH3]SCc1csc2c1cc(cc2)Cl 62a_100009814428_200025704644 [0,0,0,0,0,0|4,0,0]=4 40 B14R2.6419 [13CH3]SCc1csc2c1cc(cc2)Cl 62a_200025704644_100009814428 [0,0,0,0,0,0|4,0,0]=4 41 B14R2.6419 [13CH3]SCc1csc2c1cc(cc2)F 62a_100010109839_200025704644 [0,0,0,0,0,0|4,0,0]=4 42 B14R2.6419 [13CH3]SCc1csc2c1cc(cc2)F 62a_200025704644_100010109839 [0,0,0,0,0,0|4,0,0]=4 43 B13R2.1 CC=Cc1c[nH]c2c1cccn2 271570a_100016259895_100011934613 [1,0,0,0,0,0|2,0,1]=4 44 B13R2.1 CC=Cc1c[nH]c2c1ccnc2 271570a_100016259895_100010232032 [1,0,0,0,0,0|2,0,1]=4 45 B13R2.1 CC=Cc1c[nH]c2c1cncc2 271570a_100016259895_100011934843 [1,0,0,0,0,0|2,0,1]=4 46 B13R2.1 CC=Cc1c[nH]c2c1nccc2 271570a_100016259895_100009817151 [1,0,0,0,0,0|2,0,1]=4 47 B13R2.1 CC=Cc1coc2c1cccc2 271570a_100016259895_100009812202 [1,0,0,0,0,0|2,0,1]=4 48 B13R2.1 CC=Cc1csc2c1cccc2 271570a_100016259895_100009813928 [1,0,0,0,0,0|2,0,1]=4 49 B13R2.1 CC=Cc1n[nH]c2c1cccc2 271570a_100016259895_100000050141 [1,0,0,0,0,0|2,0,1]=4 50 B13R2.1 CNCc1c[nH]c2c1ccnc2 270004a_106832991635_100000087688 [1,0,0,0,0,0|3,0,0]=4 51 B13R2.1 CNCc1coc2c1cccc2 207a_100102657272_100000688544 [1,0,0,0,0,0|3,0,0]=4 52 B13R2.1 CNCc1coc2c1cccc2 270004a_106832991635_100000688544 [1,0,0,0,0,0|3,0,0]=4 53 B13R2.1 CNCc1csc2c1cccc2 207a_100102657272_100000239721 [1,0,0,0,0,0|3,0,0]=4 54 B13R2.1 CNCc1csc2c1cccc2 2230a_106832991635_200000742921 [1,0,0,0,0,0|3,0,0]=4 55 B13R2.1 CNCc1csc2c1cccc2 270004a_106832991635_100000239721 [1,0,0,0,0,0|3,0,0]=4 56 B13R2.1 CNCc1csc2c1cccc2 34a_100000744611_200000210301 [1,0,0,0,0,0|3,0,0]=4 57 B13R2.1 CNCc1csc2c1cccc2 34a_100102657272_200000742921 [1,0,0,0,0,0|3,0,0]=4 58 B13R2.1 CNCc1n[nH]c2c1cccc2 207a_100102657272_100000059708 [1,0,0,0,0,0|3,0,0]=4 59 B13R2.1 CNCc1n[nH]c2c1cccc2 270004a_106832991635_100000059708 [1,0,0,0,0,0|3,0,0]=4 60 B13R2.1 COCc1csc2c1cccc2 34a_100011219454_200000210301 [1,0,0,0,0,0|3,0,0]=4 61 B13R2.1 COCc1csc2c1cccc2 34a_100138415774_200000742921 [1,0,0,0,0,0|3,0,0]=4 62 B13R2.1 CSCc1csc2c1cccc2 62a_200000210301_200000742921 [1,0,0,0,0,0|3,0,0]=4 63 B13R2.1 CSCc1csc2c1cccc2 62a_200000742921_200000210301 [1,0,0,0,0,0|3,0,0]=4 64 B13R2.1 [13CH3]NCc1csc2c1cccc2 34a_100000744611_200025704644 [1,0,0,0,0,0|3,0,0]=4 65 B13R2.1 [13CH3]OCc1csc2c1cccc2 34a_100011219454_200025704644 [1,0,0,0,0,0|3,0,0]=4 66 B13R2.1 [13CH3]SCc1csc2c1cccc2 62a_200000742921_200025704644 [1,0,0,0,0,0|3,0,0]=4 67 B13R2.1 [13CH3]SCc1csc2c1cccc2 62a_200025704644_200000742921 [1,0,0,0,0,0|3,0,0]=4 68 B13R2.2136 C=Cc1c[nH]c2c1cc(cn2)C 271570a_100011290941_100010246215 [1,0,0,0,0,0|2,0,1]=4 69 B13R2.2136 C=Cc1c[nH]c2c1cc(cn2)F 271570a_100011290941_100010168383 [1,0,0,0,0,0|2,0,1]=4 70 B13R2.2136 C=Cc1csc2c1cc(cc2)N 271570a_100011290941_100011178648 [1,0,0,0,0,0|2,0,1]=4 71 B13R2.2136 C=Cc1n[nH]c2c1cc(cc2)Br 271570a_100011290941_100010186058 [1,0,0,0,0,0|2,0,1]=4 72 B13R2.2136 C=Cc1n[nH]c2c1cc(cc2)C 271570a_100011290941_100000123028 [1,0,0,0,0,0|2,0,1]=4 73 B13R2.2136 C=Cc1n[nH]c2c1cc(cc2)Cl 271570a_100011290941_100010174404 [1,0,0,0,0,0|2,0,1]=4 74 B13R2.2136 C=Cc1n[nH]c2c1cc(cc2)F 271570a_100011290941_100011934747 [1,0,0,0,0,0|2,0,1]=4 75 B13R2.2136 C=Cc1n[nH]c2c1cc(cc2)N 271570a_100011290941_100012353729 [1,0,0,0,0,0|2,0,1]=4 76 B13R2.2136 N#Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000187849 [1,0,0,0,0,0|1,0,1]=3 77 B13R2.2136 N#Cc1c[nH]c2c1nc(cc2)O 271570a_203496583355_100009888076 [1,0,0,0,0,0|2,0,1]=4 78 B13R2.2136 N#Cc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100010178026 [1,0,0,0,0,0|2,0,1]=4 79 B13R2.2136 O=Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000187850 [1,0,0,0,0,0|0,0,0]=1 80 B13R2.2136 O=Cc1c[nH]c2c1cc(cn2)O 271570a_203496583355_100012356305 [1,0,0,0,0,0|1,0,0]=2 81 B13R2.2136 O=Cc1cnn2c1nc(cc2)O 271570a_203496583355_100000691671 [1,0,0,0,0,0|2,0,1]=4 82 B13R2.2136 O=Cc1csc2c1cc(cc2)O 271570a_203496583355_100009814807 [1,0,0,0,0,0|1,0,0]=2 83 B13R2.2136 O=Cc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100009888965 [1,0,0,0,0,0|1,0,0]=2 84 B13R2.2136 O=Cc1n[nH]c2c1cc(cn2)O 271570a_203496583355_100010234984 [1,0,0,0,0,0|2,0,0]=3 85 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_200000210301 [0,1,0,0,0,0|1,0,0]=2 86 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)C 1458a_100102525273_200000210301 [0,1,0,0,0,0|1,0,0]=2 87 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_200000210301 [0,1,0,0,0,0|1,0,0]=2 88 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200000210301 [0,1,0,0,0,0|1,0,0]=2 89 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200000210301 [0,1,0,0,0,0|0,0,0]=1 90 B15R2.9410 CC(=O)Cc1coc2c1cc(cc2)C 1458a_100000188615_200000210301 [0,1,0,0,0,0|2,0,0]=3 91 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)C 1458a_100000242747_200000210301 [0,1,0,0,0,0|2,0,0]=3 92 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000070787_100009814428 [0,1,0,0,0,0|2,0,0]=3 93 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000692288_200000210301 [0,1,0,0,0,0|2,0,0]=3 94 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)F 1458a_100000070787_100010109839 [0,1,0,0,0,0|2,0,0]=3 95 B15R2.9410 CC(=O)Cc1n[nH]c2c1cc(cc2)Cl 1458a_100010209749_200000210301 [0,1,0,0,0,0|2,0,0]=3 96 B15R2.9410 CC(=O)Cc1n[nH]c2c1cc(cc2)F 1458a_200102525442_200000210301 [0,1,0,0,0,0|2,0,0]=3 97 B15R2.9410 CC(=O)Cn1ccc2c1cc(cc2)Br 1458a_200000721800_200000210301 [0,1,0,0,0,0|3,0,0]=4 98 B15R2.9410 CC(=O)Cn1ccc2c1cc(cc2)Cl 1458a_100000744275_200000210301 [0,1,0,0,0,0|3,0,0]=4 99 B15R2.9410 CC(=O)Cn1ccc2c1cc(cc2)F 1458a_100000721773_200000210301 [0,1,0,0,0,0|3,0,0]=4 100 B15R2.9410 CC(=O)Oc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000755435 [0,1,0,0,0,0|1,0,0]=2 101 B15R2.9410 CN(C)Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000728258 [0,1,0,0,0,0|2,0,0]=3 102 B15R2.9410 CN(C)Cc1c[nH]c2c1cc(cn2)O 271570a_203496583355_200010174824 [0,1,0,0,0,0|3,0,0]=4 103 B15R2.9410 Cc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100102525273_200025704644 [0,1,0,0,0,0|1,0,0]=2 104 B15R2.9410 Cc1ccc2occ(c2c1)CC(=O)[13CH3] 1458a_100000188615_200025704644 [0,1,0,0,0,0|2,0,0]=3 105 B15R2.9410 Cc1ccc2scc(c2c1)CC(=O)[13CH3] 1458a_100000242747_200025704644 [0,1,0,0,0,0|2,0,0]=3 106 B15R2.9410 NC(=O)Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009990690 [0,1,0,0,0,0|0,0,0]=1 107 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_200025704644 [0,1,0,0,0,0|1,0,0]=2 108 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_200025704644 [0,1,0,0,0,0|1,0,0]=2 109 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200025704644 [0,1,0,0,0,0|1,0,0]=2 110 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200025704644 [0,1,0,0,0,0|0,0,0]=1 111 B15R2.9410 [13CH3]C(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000692288_200025704644 [0,1,0,0,0,0|2,0,0]=3 112 B15R2.9410 [13CH3]C(=O)Cc1n[nH]c2c1cc(cc2)Cl 1458a_100010209749_200025704644 [0,1,0,0,0,0|2,0,0]=3 113 B15R2.9410 [13CH3]C(=O)Cc1n[nH]c2c1cc(cc2)F 1458a_200102525442_200025704644 [0,1,0,0,0,0|2,0,0]=3 114 B15R2.9410 [13CH3]C(=O)Cn1ccc2c1cc(cc2)Br 1458a_200000721800_200025704644 [0,1,0,0,0,0|3,0,0]=4 115 B15R2.9410 [13CH3]C(=O)Cn1ccc2c1cc(cc2)Cl 1458a_100000744275_200025704644 [0,1,0,0,0,0|3,0,0]=4 116 B15R2.9410 [13CH3]C(=O)Cn1ccc2c1cc(cc2)F 1458a_100000721773_200025704644 [0,1,0,0,0,0|3,0,0]=4 117 B15R2.17719 C=CCSc1c[nH]c2c1cc(cn2)Br 62a_100000210623_100011290788 [0,1,0,0,0,0|3,0,0]=4 118 B15R2.17719 C=CCSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100000210623 [0,1,0,0,0,0|3,0,0]=4 119 B15R2.17719 C=CCSc1c[nH]c2c1cc(cn2)C 62a_100000210623_100010246215 [0,1,0,0,0,0|3,0,0]=4 120 B15R2.17719 C=CCSc1c[nH]c2c1cc(cn2)Cl 62a_100000210623_100000050100 [0,1,0,0,0,0|3,0,0]=4 121 B15R2.17719 C=CCSc1c[nH]c2c1cc(cn2)F 62a_100000210623_100010168383 [0,1,0,0,0,0|3,0,0]=4 122 B15R2.17719 C=CCSc1c[nH]c2c1cc(cn2)N 62a_100000210623_100010168510 [0,1,0,0,0,0|3,0,0]=4 123 B15R2.17719 C=CCSc1c[nH]c2c1cc(nc2)Cl 62a_100000210623_100010168685 [0,1,0,0,0,0|3,0,0]=4 124 B15R2.17719 C=CCSc1c[nH]c2c1nc(cc2)Br 62a_100000210623_100010168532 [0,1,0,0,0,0|3,0,0]=4 125 B15R2.17719 C=CCSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100000210623 [0,1,0,0,0,0|3,0,0]=4 126 B15R2.17719 C=CCSc1c[nH]c2c1nc(cc2)C 62a_100000210623_100010212567 [0,1,0,0,0,0|3,0,0]=4 127 B15R2.17719 C=CCSc1c[nH]c2c1nc(cc2)Cl 62a_100000210623_100010168529 [0,1,0,0,0,0|3,0,0]=4 128 B15R2.17719 C=CCSc1csc2c1cc(cc2)N 62a_100000210623_100011178648 [0,1,0,0,0,0|3,0,0]=4 129 B15R2.17719 C=CCSc1csc2c1cc(cc2)N 62a_100011178648_100000210623 [0,1,0,0,0,0|3,0,0]=4 130 B15R2.17719 C=CCSc1n[nH]c2c1cc(cc2)Br 62a_100000210623_100010186058 [0,1,0,0,0,0|3,0,0]=4 131 B15R2.17719 C=CCSc1n[nH]c2c1cc(cc2)C 62a_100000210623_100000123028 [0,1,0,0,0,0|3,0,0]=4 132 B15R2.17719 C=CCSc1n[nH]c2c1cc(cc2)Cl 62a_100000210623_100010174404 [0,1,0,0,0,0|3,0,0]=4 133 B15R2.17719 C=CCSc1n[nH]c2c1cc(cc2)F 62a_100000210623_100011934747 [0,1,0,0,0,0|3,0,0]=4 134 B15R2.17719 C=CCSc1n[nH]c2c1cc(cc2)N 62a_100000210623_100012353729 [0,1,0,0,0,0|3,0,0]=4 135 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_200000210301 [0,1,0,0,0,0|2,0,1]=4 136 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)C 2230a_100000008874_200000210301 [0,1,0,0,0,0|2,0,1]=4 137 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_200000210301 [0,1,0,0,0,0|2,0,1]=4 138 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_200000210301 [0,1,0,0,0,0|2,0,1]=4 139 B15R2.17719 COCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_200000210301 [0,1,0,0,0,0|1,0,2]=4 140 B15R2.17719 Cc1ccc2[nH]cc(c2c1)CCN[13CH3] 2230a_100000008874_200025704644 [0,1,0,0,0,0|2,0,1]=4 141 B15R2.17719 Cc1ccc2[nH]cc(c2n1)SCC=O 62a_200015260668_100010212567 [0,1,0,0,0,0|2,0,0]=3 142 B15R2.17719 Cc1ccc2[nH]nc(c2c1)SCC=O 62a_200015260668_100000123028 [0,1,0,0,0,0|2,0,0]=3 143 B15R2.17719 Cc1ccc2ncc(n2c1)SCC=O 62a_200015260668_100012351729 [0,1,0,0,0,0|2,0,1]=4 144 B15R2.17719 Cc1cnc2[nH]cc(c2c1)SCC=O 62a_200015260668_100010246215 [0,1,0,0,0,0|2,0,0]=3 145 B15R2.17719 Nc1ccc2[nH]nc(c2c1)SCC=O 62a_200015260668_100012353729 [0,1,0,0,0,0|2,0,0]=3 146 B15R2.17719 Nc1ccc2ncc(n2c1)SCC=O 62a_102495324787_200015260668 [0,1,0,0,0,0|2,0,1]=4 147 B15R2.17719 Nc1ccc2ncc(n2c1)SCC=O 62a_200015260668_102495324787 [0,1,0,0,0,0|2,0,1]=4 148 B15R2.17719 Nc1ccc2scc(c2c1)SCC=O 62a_100011178648_200015260668 [0,1,0,0,0,0|2,0,0]=3 149 B15R2.17719 Nc1ccc2scc(c2c1)SCC=O 62a_200015260668_100011178648 [0,1,0,0,0,0|2,0,0]=3 150 B15R2.17719 Nc1cnc2[nH]cc(c2c1)SCC=O 62a_200015260668_100010168510 [0,1,0,0,0,0|2,0,0]=3 151 B15R2.17719 Nc1cnc2[nH]nc(c2c1)SCC=O 62a_200015260668_100010174952 [0,1,0,0,0,0|3,0,0]=4 152 B15R2.17719 O=CCSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_200015260668 [0,1,0,0,0,0|2,0,0]=3 153 B15R2.17719 O=CCSc1c[nH]c2c1cc(cn2)Br 62a_200015260668_100011290788 [0,1,0,0,0,0|2,0,0]=3 154 B15R2.17719 O=CCSc1c[nH]c2c1cc(cn2)Cl 62a_200015260668_100000050100 [0,1,0,0,0,0|2,0,0]=3 155 B15R2.17719 O=CCSc1c[nH]c2c1cc(cn2)F 62a_200015260668_100010168383 [0,1,0,0,0,0|2,0,0]=3 156 B15R2.17719 O=CCSc1c[nH]c2c1cc(nc2)Cl 62a_200015260668_100010168685 [0,1,0,0,0,0|2,0,0]=3 157 B15R2.17719 O=CCSc1c[nH]c2c1cc(nn2)Cl 62a_200015260668_100161115472 [0,1,0,0,0,0|3,0,0]=4 158 B15R2.17719 O=CCSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_200015260668 [0,1,0,0,0,0|2,0,0]=3 159 B15R2.17719 O=CCSc1c[nH]c2c1nc(cc2)Br 62a_200015260668_100010168532 [0,1,0,0,0,0|2,0,0]=3 160 B15R2.17719 O=CCSc1c[nH]c2c1nc(cc2)Cl 62a_200015260668_100010168529 [0,1,0,0,0,0|2,0,0]=3 161 B15R2.17719 O=CCSc1c[nH]c2c1nc(cn2)Br 62a_100010212349_200015260668 [0,1,0,0,0,0|3,0,0]=4 162 B15R2.17719 O=CCSc1c[nH]c2c1nc(cn2)Br 62a_200015260668_100010212349 [0,1,0,0,0,0|3,0,0]=4 163 B15R2.17719 O=CCSc1cnc2n1cc(cc2)Br 62a_100012343615_200015260668 [0,1,0,0,0,0|2,0,1]=4 164 B15R2.17719 O=CCSc1cnc2n1cc(cc2)Br 62a_200015260668_100012343615 [0,1,0,0,0,0|2,0,1]=4 165 B15R2.17719 O=CCSc1cnc2n1cc(cc2)Cl 62a_200012351726_200015260668 [0,1,0,0,0,0|2,0,1]=4 166 B15R2.17719 O=CCSc1cnc2n1cc(cc2)Cl 62a_200015260668_200012351726 [0,1,0,0,0,0|2,0,1]=4 167 B15R2.17719 O=CCSc1cnc2n1cc(cc2)F 62a_100012350704_200015260668 [0,1,0,0,0,0|2,0,1]=4 168 B15R2.17719 O=CCSc1cnc2n1cc(cc2)F 62a_200015260668_100012350704 [0,1,0,0,0,0|2,0,1]=4 169 B15R2.17719 O=CCSc1cnn2c1cc(cc2)Br 62a_100015721393_200015260668 [0,1,0,0,0,0|2,0,1]=4 170 B15R2.17719 O=CCSc1cnn2c1cc(cc2)Br 62a_200015260668_100015721393 [0,1,0,0,0,0|2,0,1]=4 171 B15R2.17719 O=CCSc1n[nH]c2c1cc(cc2)Br 62a_200015260668_100010186058 [0,1,0,0,0,0|2,0,0]=3 172 B15R2.17719 O=CCSc1n[nH]c2c1cc(cc2)Cl 62a_200015260668_100010174404 [0,1,0,0,0,0|2,0,0]=3 173 B15R2.17719 O=CCSc1n[nH]c2c1cc(cc2)F 62a_200015260668_100011934747 [0,1,0,0,0,0|2,0,0]=3 174 B15R2.17719 O=CCSc1n[nH]c2c1cc(cn2)Br 62a_100010212350_200015260668 [0,1,0,0,0,0|3,0,0]=4 175 B15R2.17719 O=CCSc1n[nH]c2c1cc(cn2)Br 62a_200015260668_100010212350 [0,1,0,0,0,0|3,0,0]=4 176 B15R2.17719 O=CCSc1n[nH]c2c1cc(cn2)Cl 62a_200015260668_100010289580 [0,1,0,0,0,0|3,0,0]=4 177 B15R2.17719 O=CCSc1n[nH]c2c1cc(cn2)F 62a_200015260668_100010289577 [0,1,0,0,0,0|3,0,0]=4 178 B15R2.17719 O=CCSc1n[nH]c2c1cc(nc2)Br 62a_100010296430_200015260668 [0,1,0,0,0,0|3,0,0]=4 179 B15R2.17719 O=CCSc1n[nH]c2c1cc(nc2)Br 62a_200015260668_100010296430 [0,1,0,0,0,0|3,0,0]=4 180 B15R2.17719 O=CCSc1n[nH]c2c1cc(nc2)Cl 62a_200015260668_100010134363 [0,1,0,0,0,0|3,0,0]=4 181 B15R2.17719 O=CCSc1n[nH]c2c1nc(cc2)Br 62a_200015260668_200010370904 [0,1,0,0,0,0|3,0,0]=4 182 B15R2.17719 O=CCSc1n[nH]c2c1nc(cc2)Cl 62a_200015260668_100102525187 [0,1,0,0,0,0|3,0,0]=4 183 B15R2.17719 OCCCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100102583652 [0,1,0,0,0,0|0,0,2]=3 184 B15R2.17719 [13CH3]NCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_200025704644 [0,1,0,0,0,0|2,0,1]=4 185 B15R2.17719 [13CH3]NCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_200025704644 [0,1,0,0,0,0|2,0,1]=4 186 B15R2.17719 [13CH3]NCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_200025704644 [0,1,0,0,0,0|2,0,1]=4 187 B15R2.17719 [13CH3]OCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_200025704644 [0,1,0,0,0,0|1,0,2]=4 188 B15R2.54412 C=Cc1ccc2[nH]cc(c2c1)CCN 271570a_100011290941_100016990496 [0,1,0,0,0,0|2,0,1]=4 189 B15R2.54412 C=Cc1ccc2[nH]cc(c2c1)CCO 271570a_100011290941_100011933977 [0,1,0,0,0,0|1,0,2]=4 190 B15R2.54412 CC=Cc1c[nH]c2c1cc(cn2)OC 271570a_100016259895_100010199036 [0,1,0,0,0,0|2,0,1]=4 191 B15R2.54412 CC=Cc1c[nH]c2c1cc(nc2)OC 271570a_100016259895_200010163580 [0,1,0,0,0,0|2,0,1]=4 192 B15R2.54412 CC=Cc1c[nH]c2c1nc(cc2)OC 271570a_100016259895_100010199035 [0,1,0,0,0,0|2,0,1]=4 193 B15R2.54412 CC=Cc1n[nH]c2c1cc(cc2)OC 271570a_100016259895_100012353730 [0,1,0,0,0,0|2,0,1]=4 194 B15R2.54412 CNCc1c[nH]c2c1cc(cc2)OC 270004a_106832991635_100000748866 [0,1,0,0,0,0|2,0,0]=3 195 B15R2.54412 CNCc1n[nH]c2c1cc(cc2)OC 207a_100102657272_100000084273 [0,1,0,0,0,0|3,0,0]=4 196 B15R2.54412 CNCc1n[nH]c2c1cc(cc2)OC 270004a_106832991635_100000084273 [0,1,0,0,0,0|3,0,0]=4 197 B15R2.54412 COc1ccc2[nH]cc(c2c1)CCO 34a_100000074132_200000210301 [0,1,0,0,0,0|0,0,2]=3 198 B15R2.54412 CSc1ccc2[nH]cc(c2c1)CCN 62a_200000210301_100016990496 [0,1,0,0,0,0|1,1,1]=4 199 B15R2.54412 CSc1ccc2[nH]cc(c2c1)CCO 62a_200000210301_100011933977 [0,1,0,0,0,0|0,1,2]=4 200 B15R2.54412 [13CH3]Oc1ccc2[nH]cc(c2c1)CCO 34a_100000074132_200025704644 [0,1,0,0,0,0|0,0,2]=3 201 B15R2.54412 [13CH3]Sc1ccc2[nH]cc(c2c1)CCN 62a_200025704644_100016990496 [0,1,0,0,0,0|1,1,1]=4 202 B15R2.54412 [13CH3]Sc1ccc2[nH]cc(c2c1)CCO 62a_200025704644_100011933977 [0,1,0,0,0,0|0,1,2]=4 203 B15R2.79417 COC(=O)c1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009812884 [0,1,0,0,0,0|2,0,1]=4 204 B15R2.79417 NNC(=O)c1c[nH]c2c1cc(cc2)O 271570a_203496583355_101385842908 [0,1,0,0,0,0|2,0,1]=4 205 B13R1.2 CCN(CC=O)c1cccc(c1)O 2230a_100000717746_200015260668 [0,0,1,0,0,0|2,0,1]=4 206 B13R1.2 CCN(CC=O)c1cccc(c1)O 269982a_100000717746_200015260668 [0,0,1,0,0,0|2,0,1]=4 207 B13R1.2 CCN(CC=O)c1cccc(c1)O 34a_100000717746_200009817547 [0,0,1,0,0,0|2,0,1]=4 208 B13R1.9 C=CCCCNc1ccc(cc1)O 34a_100000185829_100000757094 [0,0,1,0,0,0|1,0,2]=4 209 B13R1.9 O=CCCCNc1ccc(cc1)Br 2230a_100000210018_200011292268 [0,0,1,0,0,0|1,0,2]=4 210 B13R1.9 O=CCCCNc1ccc(cc1)Cl 2230a_100000210052_200011292268 [0,0,1,0,0,0|1,0,2]=4 211 B13R1.9 O=CCCCSc1ccc(cc1)O 62a_200011292268_100000185759 [0,0,1,0,0,0|1,0,2]=4 212 B13R1.9 O=CCNCCc1ccc(cc1)O 34a_100000743037_200009817547 [0,0,1,0,0,0|2,0,1]=4 213 B13R1.9 O=CCSCCc1ccc(cc1)O 62a_100009816426_200015260668 [0,0,1,0,0,0|2,0,1]=4 214 B13R1.9 O=CCSCCc1ccc(cc1)O 62a_200015260668_100009816426 [0,0,1,0,0,0|2,0,1]=4 215 B13R1.446 C=CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210623 [0,0,1,0,0,0|3,0,0]=4 216 B13R1.446 C=CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210623 [0,0,1,0,0,0|3,0,0]=4 217 B13R1.446 C=CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210623 [0,0,1,0,0,0|3,0,0]=4 218 B13R1.446 C=CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210623 [0,0,1,0,0,0|3,0,0]=4 219 B13R1.446 C=CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210623 [0,0,1,0,0,0|3,0,0]=4 220 B13R1.446 C=CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210623 [0,0,1,0,0,0|3,0,0]=4 221 B13R1.556 C=Cc1ccc(cc1SCC=O)F 62a_100012354420_200015260668 [0,0,1,0,0,0|3,0,0]=4 222 B13R1.556 C=Cc1ccc(cc1SCC=O)F 62a_200015260668_100012354420 [0,0,1,0,0,0|3,0,0]=4 223 B13R1.556 CNc1ccc(cc1SCC=O)C 62a_100000221369_200015260668 [0,0,1,0,0,0|2,0,1]=4 224 B13R1.556 CNc1ccc(cc1SCC=O)C 62a_200015260668_100000221369 [0,0,1,0,0,0|2,0,1]=4 225 B13R1.556 CNc1ccc(cc1SCC=O)F 62a_100011246292_200015260668 [0,0,1,0,0,0|2,0,1]=4 226 B13R1.556 CNc1ccc(cc1SCC=O)F 62a_200015260668_100011246292 [0,0,1,0,0,0|2,0,1]=4 227 B13R1.556 COc1ccc(cc1SCC=O)O 62a_100010234764_200015260668 [0,0,1,0,0,0|2,0,1]=4 228 B13R1.556 COc1ccc(cc1SCC=O)O 62a_200015260668_100010234764 [0,0,1,0,0,0|2,0,1]=4 229 B13R1.556 Cc1ccc(c(c1)SCC=O)NN 62a_100016996181_200015260668 [0,0,1,0,0,0|3,0,0]=4 230 B13R1.556 Cc1ccc(c(c1)SCC=O)NN 62a_200015260668_100016996181 [0,0,1,0,0,0|3,0,0]=4 231 B13R1.556 N#Cc1ccc(cc1SCC=O)O 62a_200015260668_100012184851 [0,0,1,0,0,0|3,0,0]=4 232 B13R1.556 O=CCSc1cc(ccc1C=O)O 62a_100011236494_200015260668 [0,0,1,0,0,0|3,0,0]=4 233 B13R1.556 O=CCSc1cc(ccc1C=O)O 62a_200015260668_100011236494 [0,0,1,0,0,0|3,0,0]=4 234 B13R1.556 O=CCSc1cc(ccc1CO)O 62a_100010146404_200015260668 [0,0,1,0,0,0|3,0,0]=4 235 B13R1.556 O=CCSc1cc(ccc1CO)O 62a_200015260668_100010146404 [0,0,1,0,0,0|3,0,0]=4 236 B15R3.10821 Oc1cnc2[nH]cc(c2c1)C3CC3 271570a_203496583355_100010136847 [0,0,0,1,0,0|2,0,1]=4 237 B15R2.1282 CC=Cc1ccc2ccc(cc2c1)O 271570a_100016259895_100009816537 [0,0,0,0,0,1|2,0,1]=4 238 B15R2.1282 CC=Cc1ccc2ccc(cc2n1)O 271570a_100016259895_100000079174 [0,0,0,0,0,1|2,0,1]=4 239 B15R2.1282 CC=Cc1cnc2ccc(cc2c1)O 271570a_100016259895_100010137430 [0,0,0,0,0,1|1,0,2]=4 240 B15R2.1282 CC=Cc1cnc2ccc(cc2n1)O 271570a_100016259895_200020640061 [0,0,0,0,0,1|1,0,2]=4 241 B15R2.1282 O=CCN1CCc2ccc(cc2C1)O 2230a_100015185785_200015260668 [0,0,0,0,0,1|2,0,1]=4 242 B15R2.1282 O=CCN1CCc2ccc(cc2C1)O 269982a_100015185785_200015260668 [0,0,0,0,0,1|2,0,1]=4 243 B15R2.1282 O=CCN1CCc2ccc(cc2C1)O 34a_100015185785_200009817547 [0,0,0,0,0,1|2,0,1]=4 244 B15R2.11981 CC=Cc1cccc2c1cc(cc2)O 271570a_100016259895_100010169565 [0,0,0,0,0,1|2,0,1]=4 245 B15R2.11981 CC=Cc1ccnc2c1cc(cc2)O 271570a_100016259895_100000075933 [0,0,0,0,0,1|1,0,2]=4 246 B15R2.11981 CC=Cc1nccc2c1cc(cc2)O 271570a_100016259895_200009844553 [0,0,0,0,0,1|2,0,1]=4 247 B12R1.17 C=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210623 [1,0,1,0,0,0|2,0,0]=4 248 B12R1.17 CN(CC=O)c1cccc(c1)O 2230a_100000756613_200015260668 [1,0,1,0,0,0|1,0,1]=4 249 B12R1.17 CN(CC=O)c1cccc(c1)O 269982a_100000756613_200015260668 [1,0,1,0,0,0|1,0,1]=4 250 B12R1.17 CN(CC=O)c1cccc(c1)O 34a_100000756613_200009817547 [1,0,1,0,0,0|1,0,1]=4 251 B12R1.1 C/C=C/CNc1ccc(cc1)O 34a_100000185829_100102629194 [1,0,1,0,0,0|1,0,1]=4 252 B12R1.1 C=CCCNc1ccc(cc1)O 34a_100000185829_100000754431 [1,0,1,0,0,0|1,0,1]=4 253 B12R1.1 CC=CCNc1ccc(cc1)O 34a_100000185829_100000070051 [1,0,1,0,0,0|1,0,1]=4 254 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [1,0,1,0,0,0|1,0,1]=4 255 B12R1.1 COCC=Cc1ccc(cc1)O 271570a_100016286323_100000185759 [1,0,1,0,0,0|2,0,0]=4 256 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [1,0,1,0,0,0|1,0,1]=4 257 B12R1.59 CC(O)C=Cc1cc(c[nH]1)C=O 271570a_200011019289_100009882863 [1,0,1,0,0,0|0,0,2]=4 258 B12R1.374 C=CCSc1cc(ccc1N)O 62a_100000210623_100012001276 [1,0,1,0,0,0|2,0,0]=4 259 B12R1.374 C=CCSc1cc(ccc1N)O 62a_100012001276_100000210623 [1,0,1,0,0,0|2,0,0]=4 260 B12R1.374 Cc1ccc(c(c1)OCC=O)N 34a_100000211527_200009817547 [1,0,1,0,0,0|2,0,0]=4 261 B12R1.374 Cc1ccc(c(c1)OCC=O)N 7a_100000211527_200015260668 [1,0,1,0,0,0|2,0,0]=4 262 B12R1.374 Cc1ccc(c(c1)SCC=O)N 62a_100011356834_200015260668 [1,0,1,0,0,0|2,0,0]=4 263 B12R1.374 Cc1ccc(c(c1)SCC=O)N 62a_200015260668_100011356834 [1,0,1,0,0,0|2,0,0]=4 264 B12R1.374 Cc1ccc(cc1NCC=O)O 34a_100011216113_200009817547 [1,0,1,0,0,0|1,0,1]=4 265 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_100011380479_200015260668 [1,0,1,0,0,0|1,0,1]=4 266 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_200015260668_100011380479 [1,0,1,0,0,0|1,0,1]=4 267 B12R1.374 Nc1ccc(c(c1)OCC=O)N 34a_100025717382_200009817547 [1,0,1,0,0,0|2,0,0]=4 268 B12R1.374 Nc1ccc(c(c1)SCC=O)N 62a_100011534242_200015260668 [1,0,1,0,0,0|2,0,0]=4 269 B12R1.374 Nc1ccc(c(c1)SCC=O)N 62a_200015260668_100011534242 [1,0,1,0,0,0|2,0,0]=4 270 B12R1.374 Nc1ccc(cc1OCC=O)Br 34a_100000739049_200009817547 [1,0,1,0,0,0|2,0,0]=4 271 B12R1.374 Nc1ccc(cc1OCC=O)Br 7a_100000739049_200015260668 [1,0,1,0,0,0|2,0,0]=4 272 B12R1.374 Nc1ccc(cc1OCC=O)Cl 34a_100000185728_200009817547 [1,0,1,0,0,0|2,0,0]=4 273 B12R1.374 Nc1ccc(cc1OCC=O)Cl 7a_100000185728_200015260668 [1,0,1,0,0,0|2,0,0]=4 274 B12R1.374 Nc1ccc(cc1OCC=O)F 34a_100000753323_200009817547 [1,0,1,0,0,0|2,0,0]=4 275 B12R1.374 Nc1ccc(cc1OCC=O)F 7a_100000753323_200015260668 [1,0,1,0,0,0|2,0,0]=4 276 B12R1.374 Nc1ccc(cc1OCC=O)I 34a_100000057187_200009817547 [1,0,1,0,0,0|2,0,0]=4 277 B12R1.374 Nc1ccc(cc1OCC=O)I 7a_100000057187_200015260668 [1,0,1,0,0,0|2,0,0]=4 278 B12R1.374 Nc1ccc(cc1SCC=O)Br 62a_100000187925_200015260668 [1,0,1,0,0,0|2,0,0]=4 279 B12R1.374 Nc1ccc(cc1SCC=O)Br 62a_200015260668_100000187925 [1,0,1,0,0,0|2,0,0]=4 280 B12R1.374 Nc1ccc(cc1SCC=O)Cl 62a_100000761889_200015260668 [1,0,1,0,0,0|2,0,0]=4 281 B12R1.374 Nc1ccc(cc1SCC=O)Cl 62a_200015260668_100000761889 [1,0,1,0,0,0|2,0,0]=4 282 B12R1.374 Nc1ccc(cc1SCC=O)F 62a_100000760547_200015260668 [1,0,1,0,0,0|2,0,0]=4 283 B12R1.374 Nc1ccc(cc1SCC=O)F 62a_200015260668_100000760547 [1,0,1,0,0,0|2,0,0]=4 284 B12R1.374 Nc1ccc(cc1SCC=O)O 62a_100012001276_200015260668 [1,0,1,0,0,0|1,0,0]=3 285 B12R1.374 Nc1ccc(cc1SCC=O)O 62a_200015260668_100012001276 [1,0,1,0,0,0|1,0,0]=3 286 B12R1.374 O=CCNc1cc(ccc1Br)O 34a_100011999798_200009817547 [1,0,1,0,0,0|2,0,0]=4 287 B12R1.374 O=CCNc1cc(ccc1Cl)O 34a_100011934297_200009817547 [1,0,1,0,0,0|2,0,0]=4 288 B12R1.374 O=CCNc1cc(ccc1F)O 34a_100012017239_200009817547 [1,0,1,0,0,0|2,0,0]=4 289 B12R1.374 O=CCSc1cc(ccc1Br)O 62a_100012339312_200015260668 [1,0,1,0,0,0|2,0,0]=4 290 B12R1.374 O=CCSc1cc(ccc1Br)O 62a_200015260668_100012339312 [1,0,1,0,0,0|2,0,0]=4 291 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_100000049588_200015260668 [1,0,1,0,0,0|2,0,0]=4 292 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_200015260668_100000049588 [1,0,1,0,0,0|2,0,0]=4 293 B12R1.374 O=CCSc1cc(ccc1F)O 62a_100000693481_200015260668 [1,0,1,0,0,0|2,0,0]=4 294 B12R1.374 O=CCSc1cc(ccc1F)O 62a_200015260668_100000693481 [1,0,1,0,0,0|2,0,0]=4 295 B12R1.374 O=CCSc1cc(ccc1O)O 62a_200015260668_100009813629 [1,0,1,0,0,0|2,0,0]=4 296 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [1,0,1,0,0,0|1,0,1]=4 297 B12R1.121 C=Cc1ccccc1NCC=O 34a_100012022501_200009817547 [1,0,1,0,0,0|2,0,0]=4 298 B12R1.121 C=Cc1ccccc1SCC=O 62a_100011218376_200015260668 [1,0,1,0,0,0|2,0,0]=4 299 B12R1.121 C=Cc1ccccc1SCC=O 62a_200015260668_100011218376 [1,0,1,0,0,0|2,0,0]=4 300 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [1,0,1,0,0,0|1,0,1]=4 301 B12R1.121 CNc1ccccc1SCC=O 62a_100020606079_200015260668 [1,0,1,0,0,0|1,0,1]=4 302 B12R1.121 CNc1ccccc1SCC=O 62a_200015260668_100020606079 [1,0,1,0,0,0|1,0,1]=4 303 B12R1.121 NNc1ccccc1SCC=O 62a_100000241748_200015260668 [1,0,1,0,0,0|2,0,0]=4 304 B12R1.121 NNc1ccccc1SCC=O 62a_200015260668_100000241748 [1,0,1,0,0,0|2,0,0]=4 305 B12R2.1 C=Cc1c[nH]c2c1cccn2 271570a_100011290941_100011934613 [2,0,0,0,0,0|1,0,1]=4 306 B12R2.1 C=Cc1c[nH]c2c1ccnc2 271570a_100011290941_100010232032 [2,0,0,0,0,0|1,0,1]=4 307 B12R2.1 C=Cc1c[nH]c2c1cncc2 271570a_100011290941_100011934843 [2,0,0,0,0,0|1,0,1]=4 308 B12R2.1 C=Cc1c[nH]c2c1nccc2 271570a_100011290941_100009817151 [2,0,0,0,0,0|1,0,1]=4 309 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [2,0,0,0,0,0|1,0,1]=4 310 B12R2.1 C=Cc1csc2c1cccc2 271570a_100011290941_100009813928 [2,0,0,0,0,0|1,0,1]=4 311 B12R2.1 C=Cc1n[nH]c2c1cccc2 271570a_100011290941_100000050141 [2,0,0,0,0,0|1,0,1]=4 312 B12R2.132 Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009816687 [2,0,0,0,0,0|0,0,0]=2 313 B12R2.132 Cc1c[nH]c2c1cc(cn2)O 271570a_203496583355_100010202333 [2,0,0,0,0,0|1,0,0]=3 314 B12R2.132 Cc1cnc2n1cc(cc2)O 271570a_203496583355_100012353388 [2,0,0,0,0,0|1,0,1]=4 315 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [2,0,0,0,0,0|1,0,0]=3 316 B12R2.132 Cc1csc2c1cc(cc2)O 271570a_203496583355_100009814196 [2,0,0,0,0,0|1,0,0]=3 317 B12R2.132 Cc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100102524909 [2,0,0,0,0,0|1,0,0]=3 318 B12R2.132 Cc1n[nH]c2c1cc(cn2)O 271570a_203496583355_100009814706 [2,0,0,0,0,0|2,0,0]=4 319 B12R2.132 Cc1n[nH]c2c1cc(nc2)O 271570a_203496583355_100102524920 [2,0,0,0,0,0|2,0,0]=4 320 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [2,0,0,0,0,0|2,0,0]=4 321 B12R2.132 Cn1ccc2c1cc(cc2)O 271570a_203496583355_100011934912 [2,0,0,0,0,0|2,0,0]=4 322 B12R2.132 Cn1cnc2c1cc(cc2)O 271570a_203496583355_100000702186 [2,0,0,0,0,0|1,0,1]=4 323 B12R2.132 Nc1c[nH]c2c1cc(cn2)O 271570a_203496583355_100010174843 [2,0,0,0,0,0|2,0,0]=4 324 B12R2.132 Nc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100011934329 [2,0,0,0,0,0|2,0,0]=4 325 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [2,0,0,0,0,0|1,0,1]=4 326 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [2,0,0,0,0,0|1,0,1]=4 327 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [2,0,0,0,0,0|2,0,0]=4 328 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [2,0,0,0,0,0|2,0,0]=4 329 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [2,0,0,0,0,0|1,0,0]=3 330 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [2,0,0,0,0,0|2,0,0]=4 331 B12R2.132 Oc1ccc2[nH]nc(c2c1)Br 271570a_203496583355_200012353728 [2,0,0,0,0,0|2,0,0]=4 332 B14R1.19 CN(CCCC=O)c1ccc(cc1)O 269982a_100000182112_200011292268 [0,1,1,0,0,0|0,0,2]=4 333 B14R1.33 C=CC=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100016291481 [0,1,1,0,0,0|1,0,1]=4 334 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000749702 [0,1,1,0,0,0|1,0,1]=4 335 B14R1.33 C=CCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100020586998 [0,1,1,0,0,0|2,0,0]=4 336 B14R1.232 Cc1cc(ccc1O)NCCCC=O 7a_100011218179_200011292268 [0,1,1,0,0,0|0,0,2]=4 337 B14R1.232 O=CCCCNc1ccc(c(c1)F)O 7a_100011220035_200011292268 [0,1,1,0,0,0|0,0,2]=4 338 B14R1.677 CC(=O)CCCNc1ccc(cc1)O 34a_100000185829_100000685027 [0,1,1,0,0,0|0,0,2]=4 339 B14R1.677 NC(=O)CCCNc1ccc(cc1)O 34a_100000185829_100102525003 [0,1,1,0,0,0|0,0,2]=4 340 B14R1.776 O=CCCCNc1ccc(cc1)CO 2230a_100011215238_200011292268 [0,1,1,0,0,0|0,0,2]=4 341 B14R1.6052 CC(=O)CC(=O)c1cc(ccc1O)O 1458a_100000070787_100009814097 [0,1,1,0,0,0|2,0,0]=4 342 B14R1.6052 Cc1ccc(cc1C(=O)CC(=O)N)O 1458a_100000687834_100000187820 [0,1,1,0,0,0|2,0,0]=4 343 B14R1.6052 Cc1ccc(cc1C(=O)CC(=O)[O-])O 1458a_100000687834_100020667443 [0,1,1,0,0,0|2,0,0]=4 344 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000187820 [0,1,1,0,0,0|2,0,0]=4 345 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000187820 [0,1,1,0,0,0|2,0,0]=4 346 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1F)O 1458a_100000037260_100000187820 [0,1,1,0,0,0|2,0,0]=4 347 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1I)O 1458a_200009995701_100000187820 [0,1,1,0,0,0|2,0,0]=4 348 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1O)O 1458a_100000758025_100000187820 [0,1,1,0,0,0|2,0,0]=4 349 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1Br)O 1458a_100012352043_100020667443 [0,1,1,0,0,0|2,0,0]=4 350 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100020667443 [0,1,1,0,0,0|2,0,0]=4 351 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1F)O 1458a_100000037260_100020667443 [0,1,1,0,0,0|2,0,0]=4 352 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1I)O 1458a_200009995701_100020667443 [0,1,1,0,0,0|2,0,0]=4 353 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1O)O 1458a_100000758025_100020667443 [0,1,1,0,0,0|2,0,0]=4 354 B14R2.2 CC(=O)C[n+]1csc2c1cccc2 1458a_100009813389_200000210301 [1,1,0,0,0,0|2,0,0]=4 355 B14R2.2 CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200000210301 [1,1,0,0,0,0|0,0,0]=2 356 B14R2.2 CC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_200000210301 [1,1,0,0,0,0|1,0,0]=3 357 B14R2.2 CC(=O)Cc1cnc2n1cccc2 1458a_100000070654_200000210301 [1,1,0,0,0,0|1,0,1]=4 358 B14R2.2 CC(=O)Cc1coc2c1cccc2 1458a_100000217546_200000210301 [1,1,0,0,0,0|1,0,0]=3 359 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000070787_200000742921 [1,1,0,0,0,0|1,0,0]=3 360 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000741031_200000210301 [1,1,0,0,0,0|1,0,0]=3 361 B14R2.2 CC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_200000210301 [1,1,0,0,0,0|1,0,0]=3 362 B14R2.2 CC(=O)Cc1noc2c1cccc2 1458a_100000070787_100009813815 [1,1,0,0,0,0|2,0,0]=4 363 B14R2.2 CC(=O)Cc1noc2c1cccc2 1458a_100000205995_200000210301 [1,1,0,0,0,0|2,0,0]=4 364 B14R2.2 CC(=O)Cn1ccc2c1cccc2 1458a_100000743657_200000210301 [1,1,0,0,0,0|2,0,0]=4 365 B14R2.2 CC(=O)Cn1cnc2c1cccc2 1458a_100025771165_200000210301 [1,1,0,0,0,0|1,0,1]=4 366 B14R2.2 [13CH3]C(=O)C[n+]1csc2c1cccc2 1458a_100009813389_200025704644 [1,1,0,0,0,0|2,0,0]=4 367 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200025704644 [1,1,0,0,0,0|0,0,0]=2 368 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_200025704644 [1,1,0,0,0,0|1,0,0]=3 369 B14R2.2 [13CH3]C(=O)Cc1cnc2n1cccc2 1458a_100000070654_200025704644 [1,1,0,0,0,0|1,0,1]=4 370 B14R2.2 [13CH3]C(=O)Cc1coc2c1cccc2 1458a_100000217546_200025704644 [1,1,0,0,0,0|1,0,0]=3 371 B14R2.2 [13CH3]C(=O)Cc1csc2c1cccc2 1458a_100000741031_200025704644 [1,1,0,0,0,0|1,0,0]=3 372 B14R2.2 [13CH3]C(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_200025704644 [1,1,0,0,0,0|1,0,0]=3 373 B14R2.2 [13CH3]C(=O)Cc1noc2c1cccc2 1458a_100000205995_200025704644 [1,1,0,0,0,0|2,0,0]=4 374 B14R2.2 [13CH3]C(=O)Cn1ccc2c1cccc2 1458a_100000743657_200025704644 [1,1,0,0,0,0|2,0,0]=4 375 B14R2.2 [13CH3]C(=O)Cn1cnc2c1cccc2 1458a_100025771165_200025704644 [1,1,0,0,0,0|1,0,1]=4 376 B14R2.3 C=CCOc1csc2c1cccc2 34a_100000077758_100015514636 [1,1,0,0,0,0|2,0,0]=4 377 B14R2.3 C=CCOc1csc2c1cccc2 7a_100000077758_100015514636 [1,1,0,0,0,0|2,0,0]=4 378 B14R2.3 C=CCSc1c[nH]c2c1cccn2 62a_100000210623_100011934613 [1,1,0,0,0,0|2,0,0]=4 379 B14R2.3 C=CCSc1c[nH]c2c1ccnc2 62a_100000210623_100010232032 [1,1,0,0,0,0|2,0,0]=4 380 B14R2.3 C=CCSc1c[nH]c2c1cncc2 62a_100000210623_100000753697 [1,1,0,0,0,0|2,0,0]=4 381 B14R2.3 C=CCSc1c[nH]c2c1nccc2 62a_100000210623_100009817151 [1,1,0,0,0,0|2,0,0]=4 382 B14R2.3 C=CCSc1coc2c1cccc2 62a_100000210623_100009812202 [1,1,0,0,0,0|2,0,0]=4 383 B14R2.3 C=CCSc1csc2c1cccc2 62a_100000210623_100009813928 [1,1,0,0,0,0|2,0,0]=4 384 B14R2.3 C=CCSc1n[nH]c2c1cccc2 62a_100000210623_100000050141 [1,1,0,0,0,0|2,0,0]=4 385 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_100000211132_200000210301 [1,1,0,0,0,0|1,0,1]=4 386 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_106832991635_100011218569 [1,1,0,0,0,0|1,0,1]=4 387 B14R2.3 CNCCc1c[nH]c2c1cccc2 34a_100102657272_100011218569 [1,1,0,0,0,0|1,0,1]=4 388 B14R2.3 CNCCc1c[nH]c2c1cccc2 7a_106832991635_100011218569 [1,1,0,0,0,0|1,0,1]=4 389 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100000752351_200000210301 [1,1,0,0,0,0|0,0,2]=4 390 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100138415774_100011218569 [1,1,0,0,0,0|0,0,2]=4 391 B14R2.3 CSCCc1c[nH]c2c1cccc2 62a_200000210301_100011218569 [1,1,0,0,0,0|0,1,1]=4 392 B14R2.3 O=CCOc1csc2c1cccc2 34a_100000077758_200009817547 [1,1,0,0,0,0|1,0,0]=3 393 B14R2.3 O=CCOc1csc2c1cccc2 7a_100000077758_200015260668 [1,1,0,0,0,0|1,0,0]=3 394 B14R2.3 O=CCSc1c[nH]c2c1cccn2 62a_200015260668_100011934613 [1,1,0,0,0,0|1,0,0]=3 395 B14R2.3 O=CCSc1c[nH]c2c1ccnc2 62a_200015260668_100010232032 [1,1,0,0,0,0|1,0,0]=3 396 B14R2.3 O=CCSc1c[nH]c2c1cncc2 62a_200015260668_100000753697 [1,1,0,0,0,0|1,0,0]=3 397 B14R2.3 O=CCSc1c[nH]c2c1cncn2 62a_100009817560_200015260668 [1,1,0,0,0,0|2,0,0]=4 398 B14R2.3 O=CCSc1c[nH]c2c1cncn2 62a_200015260668_100000072862 [1,1,0,0,0,0|2,0,0]=4 399 B14R2.3 O=CCSc1c[nH]c2c1nccc2 62a_200015260668_100009817151 [1,1,0,0,0,0|1,0,0]=3 400 B14R2.3 O=CCSc1c[nH]c2c1nccn2 62a_200015260668_100009819587 [1,1,0,0,0,0|2,0,0]=4 401 B14R2.3 O=CCSc1cnc2n1cccc2 62a_200015260668_100011219245 [1,1,0,0,0,0|1,0,1]=4 402 B14R2.3 O=CCSc1cnn2c1cccc2 62a_200015260668_100009817726 [1,1,0,0,0,0|1,0,1]=4 403 B14R2.3 O=CCSc1coc2c1cccc2 62a_200015260668_100009812202 [1,1,0,0,0,0|1,0,0]=3 404 B14R2.3 O=CCSc1coc2c1nccc2 62a_200015260668_100009889148 [1,1,0,0,0,0|2,0,0]=4 405 B14R2.3 O=CCSc1csc2c1cccc2 62a_200015260668_100009813928 [1,1,0,0,0,0|1,0,0]=3 406 B14R2.3 O=CCSc1csc2c1cccn2 62a_100009830249_200015260668 [1,1,0,0,0,0|2,0,0]=4 407 B14R2.3 O=CCSc1csc2c1cccn2 62a_200015260668_100009830249 [1,1,0,0,0,0|2,0,0]=4 408 B14R2.3 O=CCSc1csc2c1ccnc2 62a_100009817111_200015260668 [1,1,0,0,0,0|2,0,0]=4 409 B14R2.3 O=CCSc1csc2c1ccnc2 62a_200015260668_100009817111 [1,1,0,0,0,0|2,0,0]=4 410 B14R2.3 O=CCSc1csc2c1cncc2 62a_100010247091_200015260668 [1,1,0,0,0,0|2,0,0]=4 411 B14R2.3 O=CCSc1csc2c1cncc2 62a_200015260668_100010247091 [1,1,0,0,0,0|2,0,0]=4 412 B14R2.3 O=CCSc1csc2c1nccc2 62a_200015260668_100010247092 [1,1,0,0,0,0|2,0,0]=4 413 B14R2.3 O=CCSc1n[nH]c2c1cccc2 62a_200015260668_100000050141 [1,1,0,0,0,0|1,0,0]=3 414 B14R2.3 O=CCSc1n[nH]c2c1cccn2 62a_200015260668_100009888962 [1,1,0,0,0,0|2,0,0]=4 415 B14R2.3 O=CCSc1n[nH]c2c1ccnc2 62a_200015260668_100010244369 [1,1,0,0,0,0|2,0,0]=4 416 B14R2.3 O=CCSc1n[nH]c2c1cncc2 62a_200015260668_100009820117 [1,1,0,0,0,0|2,0,0]=4 417 B14R2.3 O=CCSc1n[nH]c2c1nccc2 62a_200015260668_100009817118 [1,1,0,0,0,0|2,0,0]=4 418 B14R2.3 O=CCSc1noc2c1cccc2 62a_200000703156_200015260668 [1,1,0,0,0,0|2,0,0]=4 419 B14R2.3 O=CCSc1noc2c1cccc2 62a_200015260668_200000703156 [1,1,0,0,0,0|2,0,0]=4 420 B14R2.3 [13CH3]NCCc1c[nH]c2c1cccc2 2230a_100000211132_200025704644 [1,1,0,0,0,0|1,0,1]=4 421 B14R2.3 [13CH3]OCCc1c[nH]c2c1cccc2 34a_100000752351_200025704644 [1,1,0,0,0,0|0,0,2]=4 422 B14R2.3 [13CH3]SCCc1c[nH]c2c1cccc2 62a_200025704644_100011218569 [1,1,0,0,0,0|0,1,1]=4 423 B14R2.7 CNCc1c[nH]c2c1cccc2Br 270004a_106832991635_100009814786 [1,1,0,0,0,0|2,0,0]=4 424 B14R2.7 CNCc1c[nH]c2c1cccc2C 270004a_106832991635_100000040139 [1,1,0,0,0,0|2,0,0]=4 425 B14R2.7 CNCc1c[nH]c2c1cccc2Cl 270004a_106832991635_100011361501 [1,1,0,0,0,0|2,0,0]=4 426 B14R2.467 N#CCc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100000690303 [1,1,0,0,0,0|1,0,1]=4 427 B14R2.467 OCCc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010243507 [1,1,0,0,0,0|0,0,2]=4 428 B14R2.510 CNCc1cn(c2c1cccc2)C 34a_100011997738_200000210301 [1,1,0,0,0,0|2,0,0]=4 429 B14R2.510 Cn1cc(c2c1cccc2)CN[13CH3] 34a_100011997738_200025704644 [1,1,0,0,0,0|2,0,0]=4 430 B14R2.6368 N#CCc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100000693483 [1,1,0,0,0,0|1,0,1]=4 431 B14R2.6368 OCCc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100010188552 [1,1,0,0,0,0|0,0,2]=4 432 B14R2.2497 C=Cc1c[nH]c2c1cc(cn2)OC 271570a_100011290941_100010199036 [1,1,0,0,0,0|1,0,1]=4 433 B14R2.2497 C=Cc1c[nH]c2c1cc(nc2)OC 271570a_100011290941_200010163580 [1,1,0,0,0,0|1,0,1]=4 434 B14R2.2497 C=Cc1c[nH]c2c1nc(cc2)OC 271570a_100011290941_100010199035 [1,1,0,0,0,0|1,0,1]=4 435 B14R2.2497 C=Cc1ccc2[nH]cc(c2c1)C=O 271570a_100011290941_100000187850 [1,1,0,0,0,0|1,0,0]=3 436 B14R2.2497 C=Cc1ccc2[nH]nc(c2c1)C=O 271570a_100011290941_100009888965 [1,1,0,0,0,0|2,0,0]=4 437 B14R2.2497 C=Cc1ccc2scc(c2c1)C=O 271570a_100011290941_100009814807 [1,1,0,0,0,0|2,0,0]=4 438 B14R2.2497 C=Cc1cnc2[nH]cc(c2c1)C=O 271570a_100011290941_100012356305 [1,1,0,0,0,0|2,0,0]=4 439 B14R2.2497 C=Cc1n[nH]c2c1cc(cc2)OC 271570a_100011290941_100012353730 [1,1,0,0,0,0|1,0,1]=4 440 B14R2.2497 COc1ccc2[nH]cc(c2c1)C#N 7a_100000059741_200000210301 [1,1,0,0,0,0|1,0,1]=4 441 B14R2.2497 CSc1ccc2[nH]cc(c2c1)C=O 62a_200000210301_100010871809 [1,1,0,0,0,0|0,1,0]=3 442 B14R2.2497 CSc1cnc2[nH]cc(c2c1)C=O 62a_200000210301_100012356305 [1,1,0,0,0,0|1,1,0]=4 443 B14R2.2497 [13CH3]Oc1ccc2[nH]cc(c2c1)C#N 7a_100000059741_200025704644 [1,1,0,0,0,0|1,0,1]=4 444 B14R2.2497 [13CH3]Sc1ccc2[nH]cc(c2c1)C=O 62a_200025704644_100010871809 [1,1,0,0,0,0|0,1,0]=3 445 B14R2.2497 [13CH3]Sc1cnc2[nH]cc(c2c1)C=O 62a_200025704644_100012356305 [1,1,0,0,0,0|1,1,0]=4 446 B14R2.5816 CC(=O)c1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000731263 [1,1,0,0,0,0|0,0,0]=2 447 B14R2.5816 CC(=O)c1c[nH]c2c1cc(cn2)O 271570a_203496583355_100012343711 [1,1,0,0,0,0|1,0,0]=3 448 B14R2.5816 CC(=O)c1c[nH]c2c1cc(nc2)O 271570a_203496583355_100010761600 [1,1,0,0,0,0|1,0,0]=3 449 B14R2.5816 CC(=O)c1cnc2n1cc(cc2)O 271570a_203496583355_100010260146 [1,1,0,0,0,0|1,0,1]=4 450 B14R2.5816 CC(=O)c1csc2c1cc(cc2)O 271570a_203496583355_100010167055 [1,1,0,0,0,0|1,0,0]=3 451 B14R2.5816 CC(=O)c1n[nH]c2c1cc(cc2)O 271570a_203496583355_100010178523 [1,1,0,0,0,0|1,0,0]=3 452 B14R2.5816 CC(C)c1c[nH]c2c1cc(cc2)O 271570a_203496583355_100014147963 [1,1,0,0,0,0|0,0,1]=3 453 B14R2.5816 CC(C)c1n[nH]c2c1cc(cc2)O 271570a_203496583355_100010332741 [1,1,0,0,0,0|1,0,1]=4 454 B14R2.5816 NC(=O)c1cnc2n1cc(cc2)O 271570a_203496583355_100030059705 [1,1,0,0,0,0|1,0,1]=4 455 B14R2.19008 CCC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_200009816826 [1,1,0,0,0,0|0,0,2]=4 456 B14R2.19008 Cn1nc2ccc(cc2c1C=O)O 271570a_203496583355_100010240407 [1,1,0,0,0,0|1,0,1]=4 457 B14R2.19008 N#Cc1c([nH]c2c1cc(cc2)O)N 271570a_203496583355_100010257711 [1,1,0,0,0,0|1,0,1]=4 458 B14R2.45178 Cn1cc(c2c1ccc(c2)O)C=O 271570a_203496583355_100009812439 [1,1,0,0,0,0|0,0,0]=2 459 B16R2.1285 C=CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100015514636 [0,1,0,0,0,1|2,0,0]=4 460 B16R2.1285 C=CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100015514636 [0,1,0,0,0,1|2,0,0]=4 461 B16R2.1285 C=CCNc1cnc2ccc(cc2n1)O 27a_100020586998_200020640061 [0,1,0,0,0,1|1,0,1]=4 462 B16R2.1285 C=CCSc1ccc2ccc(cc2c1)O 62a_100000210623_100009816537 [0,1,0,0,0,1|2,0,0]=4 463 B16R2.1285 C=CCSc1ccc2ccc(cc2n1)O 62a_100000210623_100000079174 [0,1,0,0,0,1|2,0,0]=4 464 B16R2.1285 C=CCSc1cnc2ccc(cc2c1)O 62a_100000210623_100010137430 [0,1,0,0,0,1|1,0,1]=4 465 B16R2.1285 C=CCSc1cnc2ccc(cc2n1)O 62a_100000210623_200020640061 [0,1,0,0,0,1|1,0,1]=4 466 B16R2.1285 Cc1ccc2ccc(cc2c1)OCC=O 34a_100000091598_200009817547 [0,1,0,0,0,1|2,0,0]=4 467 B16R2.1285 Cc1ccc2ccc(cc2c1)OCC=O 7a_100000091598_200015260668 [0,1,0,0,0,1|2,0,0]=4 468 B16R2.1285 Cc1ccc2ncc(cc2c1)SCC=O 62a_200015260668_100015841224 [0,1,0,0,0,1|1,0,1]=4 469 B16R2.1285 Nc1ccc2ccc(cc2c1)OCC=O 34a_100015378740_200009817547 [0,1,0,0,0,1|2,0,0]=4 470 B16R2.1285 Nc1ccc2ccc(cc2c1)OCC=O 7a_100015378740_200015260668 [0,1,0,0,0,1|2,0,0]=4 471 B16R2.1285 Nc1ccc2ccc(cc2c1)SCC=O 62a_100010090036_200015260668 [0,1,0,0,0,1|2,0,0]=4 472 B16R2.1285 Nc1ccc2ccc(cc2c1)SCC=O 62a_200015260668_100010090036 [0,1,0,0,0,1|2,0,0]=4 473 B16R2.1285 Nc1ccc2ncc(cc2c1)SCC=O 62a_100009888932_200015260668 [0,1,0,0,0,1|1,0,1]=4 474 B16R2.1285 Nc1ccc2ncc(cc2c1)SCC=O 62a_200015260668_100009888932 [0,1,0,0,0,1|1,0,1]=4 475 B16R2.1285 O=CCNc1ccc2ccc(cc2c1)Br 34a_100010090036_200009817547 [0,1,0,0,0,1|2,0,0]=4 476 B16R2.1285 O=CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_200015260668 [0,1,0,0,0,1|2,0,0]=4 477 B16R2.1285 O=CCNc1ccc2ccc(cc2c1)O 34a_100015378740_200009817547 [0,1,0,0,0,1|1,0,0]=3 478 B16R2.1285 O=CCNc1ccc2ccc(cc2c1)O 7a_100015378740_200015260668 [0,1,0,0,0,1|1,0,0]=3 479 B16R2.1285 O=CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_200009817547 [0,1,0,0,0,1|2,0,0]=4 480 B16R2.1285 O=CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_200015260668 [0,1,0,0,0,1|2,0,0]=4 481 B16R2.1285 O=CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_200009817547 [0,1,0,0,0,1|1,0,1]=4 482 B16R2.1285 O=CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_200015260668 [0,1,0,0,0,1|1,0,1]=4 483 B16R2.1285 O=CCSc1ccc2ccc(cc2c1)O 62a_200015260668_100009816537 [0,1,0,0,0,1|1,0,0]=3 484 B16R2.1285 O=CCSc1ccc2ccc(cc2n1)O 62a_200015260668_100000079174 [0,1,0,0,0,1|1,0,0]=3 485 B16R2.1285 O=CCSc1ccc2ccc(nc2c1)O 62a_200015260668_100000690401 [0,1,0,0,0,1|2,0,0]=4 486 B16R2.1285 O=CCSc1ccc2ccc(nc2n1)O 62a_200015260668_200010218124 [0,1,0,0,0,1|2,0,0]=4 487 B16R2.1285 O=CCSc1ccc2cnc(cc2c1)O 62a_200015260668_100009817130 [0,1,0,0,0,1|2,0,0]=4 488 B16R2.1285 O=CCSc1ccc2ncc(cc2c1)O 62a_200015260668_100000703654 [0,1,0,0,0,1|2,0,0]=4 489 B16R2.1285 O=CCSc1cnc2ccc(cc2c1)Br 62a_100010740133_200015260668 [0,1,0,0,0,1|1,0,1]=4 490 B16R2.1285 O=CCSc1cnc2ccc(cc2c1)Br 62a_200015260668_100010740133 [0,1,0,0,0,1|1,0,1]=4 491 B16R2.1285 O=CCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_200015260668 [0,1,0,0,0,1|1,0,1]=4 492 B16R2.1285 O=CCSc1cnc2ccc(cc2c1)Cl 62a_200015260668_100015929906 [0,1,0,0,0,1|1,0,1]=4 493 B16R2.1285 O=CCSc1cnc2ccc(cc2c1)O 62a_200015260668_100010137430 [0,1,0,0,0,1|0,0,1]=3 494 B16R2.1285 O=CCSc1cnc2ccc(cc2n1)O 62a_200015260668_200020640061 [0,1,0,0,0,1|0,0,1]=3 495 B16R2.1285 O=CCSc1cnc2ccc(nc2c1)O 62a_200015260668_100010009477 [0,1,0,0,0,1|1,0,1]=4 496 B16R2.11975 CC(=O)Cc1ccc2ccc(cc2n1)Cl 1458a_100000070787_100010196396 [0,1,0,0,0,1|2,0,0]=4 497 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)O 1626a_100015378740_100015343762 [0,1,0,0,0,1|2,0,0]=4 498 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)O 22a_100015378740_100000070787 [0,1,0,0,0,1|2,0,0]=4 499 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)O 527a_100015378740_100103153847 [0,1,0,0,0,1|2,0,0]=4 500 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)O 1626a_100000034012_100015343762 [0,1,0,0,0,1|2,0,0]=4 501 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)O 22a_100000034012_100000070787 [0,1,0,0,0,1|2,0,0]=4 502 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)O 527a_100000034012_100103153847 [0,1,0,0,0,1|2,0,0]=4 503 B16R2.32142 C=CCNc1cccc2c1cc(cc2)O 34a_100000034012_100015514636 [0,1,0,0,0,1|2,0,0]=4 504 B16R2.32142 C=CCSc1cccc2c1cc(cc2)O 62a_100000210623_100010169565 [0,1,0,0,0,1|2,0,0]=4 505 B16R2.32142 C=CCSc1ccnc2c1cc(cc2)O 62a_100000210623_100000075933 [0,1,0,0,0,1|1,0,1]=4 506 B16R2.32142 C=CCSc1nccc2c1cc(cc2)O 62a_100000210623_200009844553 [0,1,0,0,0,1|2,0,0]=4 507 B16R2.32142 Cc1ccc2cccc(c2c1)OCC=O 34a_100000040781_200009817547 [0,1,0,0,0,1|2,0,0]=4 508 B16R2.32142 Cc1ccc2cccc(c2c1)OCC=O 7a_100000040781_200015260668 [0,1,0,0,0,1|2,0,0]=4 509 B16R2.32142 Cc1ccc2cncc(c2c1)SCC=O 62a_200015260668_100009817139 [0,1,0,0,0,1|1,0,1]=4 510 B16R2.32142 Cc1ccc2nccc(c2c1)OCC=O 34a_200011310529_200009817547 [0,1,0,0,0,1|1,0,1]=4 511 B16R2.32142 Cc1ccc2nccc(c2c1)SCC=O 62a_200015260668_100000751279 [0,1,0,0,0,1|1,0,1]=4 512 B16R2.32142 Cc1ccc2ncnc(c2c1)SCC=O 62a_200015260668_100000743341 [0,1,0,0,0,1|1,0,1]=4 513 B16R2.32142 Nc1ccc2cccc(c2c1)OCC=O 34a_100132313934_200009817547 [0,1,0,0,0,1|2,0,0]=4 514 B16R2.32142 Nc1ccc2cccc(c2c1)OCC=O 7a_100132313934_200015260668 [0,1,0,0,0,1|2,0,0]=4 515 B16R2.32142 Nc1ccc2nccc(c2c1)SCC=O 62a_100010074812_200015260668 [0,1,0,0,0,1|1,0,1]=4 516 B16R2.32142 Nc1ccc2nccc(c2c1)SCC=O 62a_200015260668_100009879071 [0,1,0,0,0,1|1,0,1]=4 517 B16R2.32142 O=CCNc1cccc2c1cc(cc2)Br 34a_100010090012_200009817547 [0,1,0,0,0,1|2,0,0]=4 518 B16R2.32142 O=CCNc1cccc2c1cc(cc2)O 34a_100000034012_200009817547 [0,1,0,0,0,1|1,0,0]=3 519 B16R2.32142 O=CCOc1cccc2c1cc(cc2)Br 34a_100010089991_200009817547 [0,1,0,0,0,1|2,0,0]=4 520 B16R2.32142 O=CCOc1cccc2c1cc(cc2)Br 7a_100010089991_200015260668 [0,1,0,0,0,1|2,0,0]=4 521 B16R2.32142 O=CCOc1cccc2c1cc(cc2)Cl 34a_100009840344_200009817547 [0,1,0,0,0,1|2,0,0]=4 522 B16R2.32142 O=CCOc1cccc2c1cc(cc2)Cl 7a_100009840344_200015260668 [0,1,0,0,0,1|2,0,0]=4 523 B16R2.32142 O=CCOc1cccc2c1cc(cc2)F 34a_100009881884_200009817547 [0,1,0,0,0,1|2,0,0]=4 524 B16R2.32142 O=CCOc1cccc2c1cc(cc2)F 7a_100009881884_200015260668 [0,1,0,0,0,1|2,0,0]=4 525 B16R2.32142 O=CCOc1ccnc2c1cc(cc2)F 34a_100000004104_200009817547 [0,1,0,0,0,1|1,0,1]=4 526 B16R2.32142 O=CCOc1cncc2c1cc(cc2)Br 34a_100010136424_200009817547 [0,1,0,0,0,1|1,0,1]=4 527 B16R2.32142 O=CCOc1cncc2c1cc(cc2)Br 7a_100010136424_200015260668 [0,1,0,0,0,1|1,0,1]=4 528 B16R2.32142 O=CCOc1nccc2c1cc(cc2)Br 34a_100000010956_200009817547 [0,1,0,0,0,1|2,0,0]=4 529 B16R2.32142 O=CCOc1nccc2c1cc(cc2)Cl 34a_100000005406_200009817547 [0,1,0,0,0,1|2,0,0]=4 530 B16R2.32142 O=CCSc1cccc2c1cc(cc2)O 62a_200015260668_100010169565 [0,1,0,0,0,1|1,0,0]=3 531 B16R2.32142 O=CCSc1ccnc2c1cc(cc2)Br 62a_100010189052_200015260668 [0,1,0,0,0,1|1,0,1]=4 532 B16R2.32142 O=CCSc1ccnc2c1cc(cc2)Br 62a_200015260668_100010189052 [0,1,0,0,0,1|1,0,1]=4 533 B16R2.32142 O=CCSc1ccnc2c1cc(cc2)F 62a_100011217270_200015260668 [0,1,0,0,0,1|1,0,1]=4 534 B16R2.32142 O=CCSc1ccnc2c1cc(cc2)F 62a_200015260668_100011217270 [0,1,0,0,0,1|1,0,1]=4 535 B16R2.32142 O=CCSc1ccnc2c1cc(cc2)O 62a_200015260668_100000075933 [0,1,0,0,0,1|0,0,1]=3 536 B16R2.32142 O=CCSc1cncc2c1nc(cc2)O 62a_200015260668_100009812673 [0,1,0,0,0,1|1,0,1]=4 537 B16R2.32142 O=CCSc1nccc2c1cc(cc2)F 62a_100010202866_200015260668 [0,1,0,0,0,1|2,0,0]=4 538 B16R2.32142 O=CCSc1nccc2c1cc(cc2)F 62a_200015260668_100010202866 [0,1,0,0,0,1|2,0,0]=4 539 B16R2.32142 O=CCSc1nccc2c1cc(cc2)O 62a_200015260668_200009844553 [0,1,0,0,0,1|1,0,0]=3 540 B16R2.32142 O=CCSc1ncnc2c1cc(cc2)F 62a_200015260668_100000743340 [0,1,0,0,0,1|1,0,1]=4 541 B16R2.12021 CC(=O)CC1=C(Cc2c1cc(cc2)F)C 1458a_100000066454_200000210301 [0,2,0,0,0,0|2,0,0]=4 542 B16R2.12021 CC(=O)Cc1c([nH]c2c1cc(cc2)Br)C 1458a_100000738758_200000210301 [0,2,0,0,0,0|1,0,0]=3 543 B16R2.12021 CC(=O)Cc1c([nH]c2c1cc(cc2)Cl)C 1458a_100016600606_200000210301 [0,2,0,0,0,0|1,0,0]=3 544 B16R2.12021 CC(=O)Cc1c([nH]c2c1cc(cc2)F)C 1458a_100000044558_200000210301 [0,2,0,0,0,0|1,0,0]=3 545 B16R2.12021 CC1=C(c2cc(ccc2C1)F)CC(=O)[13CH3] 1458a_100000066454_200025704644 [0,2,0,0,0,0|2,0,0]=4 546 B16R2.12021 Cc1[nH]c2ccc(cc2c1CC(=O)[13CH3])Br 1458a_100000738758_200025704644 [0,2,0,0,0,0|1,0,0]=3 547 B16R2.12021 Cc1[nH]c2ccc(cc2c1CC(=O)[13CH3])Cl 1458a_100016600606_200025704644 [0,2,0,0,0,0|1,0,0]=3 548 B16R2.12021 Cc1[nH]c2ccc(cc2c1CC(=O)[13CH3])F 1458a_100000044558_200025704644 [0,2,0,0,0,0|1,0,0]=3 549 B16R2.13690 CC(=O)Cc1c[nH]c2c1cc(c(c2)F)F 1458a_100102524944_200000210301 [0,2,0,0,0,0|1,0,0]=3 550 B16R2.13690 [13CH3]C(=O)Cc1c[nH]c2c1cc(c(c2)F)F 1458a_100102524944_200025704644 [0,2,0,0,0,0|1,0,0]=3 551 B16R2.42567 C=Cc1ccc2[nH]cc(c2c1)CC(=O)N 271570a_100011290941_100009990690 [0,2,0,0,0,0|1,0,0]=3 552 B16R2.42567 C=Cc1ccc2[nH]cc(c2c1)OC(=O)C 271570a_100011290941_100000755435 [0,2,0,0,0,0|2,0,0]=4 553 B16R2.42567 CCc1ccc2[nH]cc(c2c1)CC(=O)C 1458a_100000049097_200000210301 [0,2,0,0,0,0|1,0,0]=3 554 B16R2.42567 CCc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100000049097_200025704644 [0,2,0,0,0,0|1,0,0]=3 555 B16R2.42567 COc1ccc2[nH]cc(c2c1)CC(=O)C 1458a_100000739362_200000210301 [0,2,0,0,0,0|0,0,0]=2 556 B16R2.42567 COc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100000739362_200025704644 [0,2,0,0,0,0|0,0,0]=2 557 B16R2.42567 COc1ccc2[nH]cc(c2c1)CN(C)C 270004a_100102631434_100000748866 [0,2,0,0,0,0|2,0,0]=4 558 B16R2.42567 CSc1ccc2[nH]cc(c2c1)CC(=O)N 62a_100009990690_200000210301 [0,2,0,0,0,0|0,1,0]=3 559 B16R2.42567 [13CH3]Sc1ccc2[nH]cc(c2c1)CC(=O)N 62a_100009990690_200025704644 [0,2,0,0,0,0|0,1,0]=3 560 B16R2.176359 C#CC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000211873_100009814428 [0,2,0,0,0,0|2,0,0]=4 561 B16R2.176359 C#CC(=O)Cc1csc2c1cc(cc2)F 1458a_100000211873_100010109839 [0,2,0,0,0,0|2,0,0]=4 562 B16R2.176359 C=CC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000185746_100009814428 [0,2,0,0,0,0|2,0,0]=4 563 B16R2.176359 C=CC(=O)Cc1csc2c1cc(cc2)F 1458a_100000185746_100010109839 [0,2,0,0,0,0|2,0,0]=4 564 B16R2.176359 CCC(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_100000210202 [0,2,0,0,0,0|1,0,0]=3 565 B16R2.176359 CCC(=O)Cc1c[nH]c2c1cc(cc2)C 1458a_100102525273_100000210202 [0,2,0,0,0,0|1,0,0]=3 566 B16R2.176359 CCC(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_100000210202 [0,2,0,0,0,0|1,0,0]=3 567 B16R2.176359 CCC(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_100000210202 [0,2,0,0,0,0|1,0,0]=3 568 B16R2.176359 CCC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100000210202 [0,2,0,0,0,0|0,0,0]=2 569 B16R2.176359 CCC(=O)Cc1coc2c1cc(cc2)C 1458a_100000188615_100000210202 [0,2,0,0,0,0|2,0,0]=4 570 B16R2.176359 CCC(=O)Cc1csc2c1cc(cc2)C 1458a_100000242747_100000210202 [0,2,0,0,0,0|2,0,0]=4 571 B16R2.176359 CCC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000210414_100009814428 [0,2,0,0,0,0|2,0,0]=4 572 B16R2.176359 CCC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000692288_100000210202 [0,2,0,0,0,0|2,0,0]=4 573 B16R2.176359 CCC(=O)Cc1csc2c1cc(cc2)F 1458a_100000210414_100010109839 [0,2,0,0,0,0|2,0,0]=4 574 B16R2.176359 CCC(=O)Cc1n[nH]c2c1cc(cc2)Cl 1458a_100010209749_100000210202 [0,2,0,0,0,0|2,0,0]=4 575 B16R2.176359 CCC(=O)Cc1n[nH]c2c1cc(cc2)F 1458a_200102525442_100000210202 [0,2,0,0,0,0|2,0,0]=4 576 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Br 11a_106832991635_100000742623 [0,2,0,0,0,0|1,0,0]=3 577 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Br 240690a_100102657272_100000742623 [0,2,0,0,0,0|1,0,0]=3 578 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Br 527a_100102657272_100000742623 [0,2,0,0,0,0|1,0,0]=3 579 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)C 240690a_100102657272_100102525273 [0,2,0,0,0,0|1,0,0]=3 580 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)C 527a_100102657272_100102525273 [0,2,0,0,0,0|1,0,0]=3 581 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Cl 11a_106832991635_100000758855 [0,2,0,0,0,0|1,0,0]=3 582 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Cl 1626a_100102657272_100000758855 [0,2,0,0,0,0|1,0,0]=3 583 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Cl 240690a_100102657272_100000758855 [0,2,0,0,0,0|1,0,0]=3 584 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Cl 527a_100102657272_100000758855 [0,2,0,0,0,0|1,0,0]=3 585 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)F 11a_106832991635_100102525430 [0,2,0,0,0,0|1,0,0]=3 586 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)F 1626a_100102657272_100102525430 [0,2,0,0,0,0|1,0,0]=3 587 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)F 240690a_100102657272_100102525430 [0,2,0,0,0,0|1,0,0]=3 588 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)F 527a_100102657272_100102525430 [0,2,0,0,0,0|1,0,0]=3 589 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)O 11a_106832991635_100000031536 [0,2,0,0,0,0|0,0,0]=2 590 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)O 240690a_100102657272_100000031536 [0,2,0,0,0,0|0,0,0]=2 591 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)O 527a_100102657272_100000031536 [0,2,0,0,0,0|0,0,0]=2 592 B16R2.176359 CNC(=O)Cc1coc2c1cc(cc2)C 11a_106832991635_100000188615 [0,2,0,0,0,0|2,0,0]=4 593 B16R2.176359 CNC(=O)Cc1coc2c1cc(cc2)C 1626a_100102657272_100000188615 [0,2,0,0,0,0|2,0,0]=4 594 B16R2.176359 CNC(=O)Cc1coc2c1cc(cc2)C 240690a_100102657272_100000188615 [0,2,0,0,0,0|2,0,0]=4 595 B16R2.176359 CNC(=O)Cc1coc2c1cc(cc2)C 527a_100102657272_100000188615 [0,2,0,0,0,0|2,0,0]=4 596 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)C 11a_106832991635_100000242747 [0,2,0,0,0,0|2,0,0]=4 597 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)C 1626a_100102657272_100000242747 [0,2,0,0,0,0|2,0,0]=4 598 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)C 240690a_100102657272_100000242747 [0,2,0,0,0,0|2,0,0]=4 599 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)C 527a_100102657272_100000242747 [0,2,0,0,0,0|2,0,0]=4 600 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)Cl 11a_106832991635_100000692288 [0,2,0,0,0,0|2,0,0]=4 601 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)Cl 1626a_100102657272_100000692288 [0,2,0,0,0,0|2,0,0]=4 602 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)Cl 240690a_100102657272_100000692288 [0,2,0,0,0,0|2,0,0]=4 603 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)Cl 527a_100102657272_100000692288 [0,2,0,0,0,0|2,0,0]=4 604 B16R2.176359 CNC(=O)Cc1n[nH]c2c1cc(cc2)Cl 240690a_100102657272_100010209749 [0,2,0,0,0,0|2,0,0]=4 605 B16R2.176359 CNC(=O)Cc1n[nH]c2c1cc(cc2)Cl 527a_100102657272_100010209749 [0,2,0,0,0,0|2,0,0]=4 606 B16R2.176359 CNC(=O)Cc1n[nH]c2c1cc(cc2)F 240690a_100102657272_200102525442 [0,2,0,0,0,0|2,0,0]=4 607 B16R2.176359 CNC(=O)Cc1n[nH]c2c1cc(cc2)F 527a_100102657272_200102525442 [0,2,0,0,0,0|2,0,0]=4 608 B16R2.176359 Cc1ccc2[nH]cc(c2c1)CC(=O)CF 1458a_100102525273_100015361967 [0,2,0,0,0,0|1,0,0]=3 609 B16R2.176359 Cc1ccc2occ(c2c1)CC(=O)CF 1458a_100000188615_100015361967 [0,2,0,0,0,0|2,0,0]=4 610 B16R2.176359 Cc1ccc2scc(c2c1)CC(=O)CF 1458a_100000242747_100015361967 [0,2,0,0,0,0|2,0,0]=4 611 B16R2.176359 O=C(CF)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_100015361967 [0,2,0,0,0,0|1,0,0]=3 612 B16R2.176359 O=C(CF)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_100015361967 [0,2,0,0,0,0|1,0,0]=3 613 B16R2.176359 O=C(CF)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_100015361967 [0,2,0,0,0,0|1,0,0]=3 614 B16R2.176359 O=C(CF)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100015361967 [0,2,0,0,0,0|0,0,0]=2 615 B16R2.176359 O=C(CF)Cc1csc2c1cc(cc2)Cl 1458a_100000692288_100015361967 [0,2,0,0,0,0|2,0,0]=4 616 B16R2.176359 O=C(CF)Cc1n[nH]c2c1cc(cc2)Cl 1458a_100010209749_100015361967 [0,2,0,0,0,0|2,0,0]=4 617 B16R2.176359 O=C(CF)Cc1n[nH]c2c1cc(cc2)F 1458a_200102525442_100015361967 [0,2,0,0,0,0|2,0,0]=4 618 B16R2.176359 O=C(CO)Cc1csc2c1cc(cc2)Cl 1458a_100000210174_100009814428 [0,2,0,0,0,0|2,0,0]=4 619 B16R2.176359 O=C(CO)Cc1csc2c1cc(cc2)F 1458a_100000210174_100010109839 [0,2,0,0,0,0|2,0,0]=4 620 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200000210301 [0,2,0,0,0,0|1,0,0]=3 621 B16R2.15551 Cc1ccc2[nH]cc(c2n1)SCC(=O)N 62a_100000747473_100010212567 [0,2,0,0,0,0|2,0,0]=4 622 B16R2.15551 Cc1ccc2[nH]cc(c2n1)SCC(=O)[O-] 62a_100020667443_100010212567 [0,2,0,0,0,0|2,0,0]=4 623 B16R2.15551 Cc1ccc2[nH]nc(c2c1)SCC(=O)N 62a_100000747473_100000123028 [0,2,0,0,0,0|2,0,0]=4 624 B16R2.15551 Cc1ccc2[nH]nc(c2c1)SCC(=O)[O-] 62a_100020667443_100000123028 [0,2,0,0,0,0|2,0,0]=4 625 B16R2.15551 Cc1cnc2[nH]cc(c2c1)SCC(=O)N 62a_100000747473_100010246215 [0,2,0,0,0,0|2,0,0]=4 626 B16R2.15551 Cc1cnc2[nH]cc(c2c1)SCC(=O)[O-] 62a_100020667443_100010246215 [0,2,0,0,0,0|2,0,0]=4 627 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)Br 62a_100000747473_100011290788 [0,2,0,0,0,0|2,0,0]=4 628 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100000747473 [0,2,0,0,0,0|2,0,0]=4 629 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)Cl 62a_100000747473_100000050100 [0,2,0,0,0,0|2,0,0]=4 630 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)F 62a_100000747473_100010168383 [0,2,0,0,0,0|2,0,0]=4 631 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)N 62a_100000747473_100010168510 [0,2,0,0,0,0|2,0,0]=4 632 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(nc2)Cl 62a_100000747473_100010168685 [0,2,0,0,0,0|2,0,0]=4 633 B16R2.15551 NC(=O)CSc1c[nH]c2c1nc(cc2)Br 62a_100000747473_100010168532 [0,2,0,0,0,0|2,0,0]=4 634 B16R2.15551 NC(=O)CSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100000747473 [0,2,0,0,0,0|2,0,0]=4 635 B16R2.15551 NC(=O)CSc1c[nH]c2c1nc(cc2)Cl 62a_100000747473_100010168529 [0,2,0,0,0,0|2,0,0]=4 636 B16R2.15551 NC(=O)CSc1csc2c1cc(cc2)N 62a_100000747473_100011178648 [0,2,0,0,0,0|2,0,0]=4 637 B16R2.15551 NC(=O)CSc1csc2c1cc(cc2)N 62a_100011178648_100000747473 [0,2,0,0,0,0|2,0,0]=4 638 B16R2.15551 NC(=O)CSc1n[nH]c2c1cc(cc2)Br 62a_100000747473_100010186058 [0,2,0,0,0,0|2,0,0]=4 639 B16R2.15551 NC(=O)CSc1n[nH]c2c1cc(cc2)Cl 62a_100000747473_100010174404 [0,2,0,0,0,0|2,0,0]=4 640 B16R2.15551 NC(=O)CSc1n[nH]c2c1cc(cc2)F 62a_100000747473_100011934747 [0,2,0,0,0,0|2,0,0]=4 641 B16R2.15551 NC(=O)CSc1n[nH]c2c1cc(cc2)N 62a_100000747473_100012353729 [0,2,0,0,0,0|2,0,0]=4 642 B16R2.15551 Nc1ccc2[nH]nc(c2c1)SCC(=O)[O-] 62a_100020667443_100012353729 [0,2,0,0,0,0|2,0,0]=4 643 B16R2.15551 Nc1ccc2scc(c2c1)SCC(=O)[O-] 62a_100011178648_100020667443 [0,2,0,0,0,0|2,0,0]=4 644 B16R2.15551 Nc1ccc2scc(c2c1)SCC(=O)[O-] 62a_100020667443_100011178648 [0,2,0,0,0,0|2,0,0]=4 645 B16R2.15551 Nc1cnc2[nH]cc(c2c1)SCC(=O)[O-] 62a_100020667443_100010168510 [0,2,0,0,0,0|2,0,0]=4 646 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100020667443 [0,2,0,0,0,0|2,0,0]=4 647 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(cn2)Br 62a_100020667443_100011290788 [0,2,0,0,0,0|2,0,0]=4 648 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(cn2)Cl 62a_100020667443_100000050100 [0,2,0,0,0,0|2,0,0]=4 649 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(cn2)F 62a_100020667443_100010168383 [0,2,0,0,0,0|2,0,0]=4 650 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(nc2)Cl 62a_100020667443_100010168685 [0,2,0,0,0,0|2,0,0]=4 651 B16R2.15551 O=C([O-])CSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100020667443 [0,2,0,0,0,0|2,0,0]=4 652 B16R2.15551 O=C([O-])CSc1c[nH]c2c1nc(cc2)Br 62a_100020667443_100010168532 [0,2,0,0,0,0|2,0,0]=4 653 B16R2.15551 O=C([O-])CSc1c[nH]c2c1nc(cc2)Cl 62a_100020667443_100010168529 [0,2,0,0,0,0|2,0,0]=4 654 B16R2.15551 O=C([O-])CSc1n[nH]c2c1cc(cc2)Br 62a_100020667443_100010186058 [0,2,0,0,0,0|2,0,0]=4 655 B16R2.15551 O=C([O-])CSc1n[nH]c2c1cc(cc2)Cl 62a_100020667443_100010174404 [0,2,0,0,0,0|2,0,0]=4 656 B16R2.15551 O=C([O-])CSc1n[nH]c2c1cc(cc2)F 62a_100020667443_100011934747 [0,2,0,0,0,0|2,0,0]=4 657 B16R2.15551 [13CH3]C(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200025704644 [0,2,0,0,0,0|1,0,0]=3 658 B16R2.163635 Cc1cc2[nH]nc(c2cc1Br)SCC=O 62a_200015260668_200015481476 [0,2,0,0,0,0|2,0,0]=4 659 B16R2.163635 Cc1cc2[nH]nc(c2cc1Br)SCC=O 62a_200015481476_200015260668 [0,2,0,0,0,0|2,0,0]=4 660 B16R2.163635 Cc1cc2[nH]nc(c2cc1N)SCC=O 62a_200015260668_100010199655 [0,2,0,0,0,0|2,0,0]=4 661 B16R2.163635 O=CCSc1n[nH]c2c1cc(c(c2)Br)F 62a_100010144800_200015260668 [0,2,0,0,0,0|2,0,0]=4 662 B16R2.163635 O=CCSc1n[nH]c2c1cc(c(c2)Br)F 62a_200015260668_100010144800 [0,2,0,0,0,0|2,0,0]=4 663 B16R2.163635 O=CCSc1n[nH]c2c1cc(c(c2)Cl)Br 62a_100025705592_200015260668 [0,2,0,0,0,0|2,0,0]=4 664 B16R2.163635 O=CCSc1n[nH]c2c1cc(c(c2)Cl)Br 62a_200015260668_100025705592 [0,2,0,0,0,0|2,0,0]=4 665 B16R2.163635 O=CCSc1n[nH]c2c1cc(c(c2)Cl)Cl 62a_200015260668_100010977401 [0,2,0,0,0,0|2,0,0]=4 666 B16R2.163635 O=CCSc1n[nH]c2c1cc(c(c2)F)Br 62a_100010170943_200015260668 [0,2,0,0,0,0|2,0,0]=4 667 B16R2.163635 O=CCSc1n[nH]c2c1cc(c(c2)F)Br 62a_200015260668_100010170943 [0,2,0,0,0,0|2,0,0]=4 668 B16R2.163638 C=CCSc1c[nH]c2c1cc(cn2)OC 62a_100000210623_100010199036 [0,2,0,0,0,0|2,0,0]=4 669 B16R2.163638 C=CCSc1c[nH]c2c1cc(nc2)OC 62a_100000210623_200010163580 [0,2,0,0,0,0|2,0,0]=4 670 B16R2.163638 C=CCSc1c[nH]c2c1nc(cc2)OC 62a_100000210623_100010199035 [0,2,0,0,0,0|2,0,0]=4 671 B16R2.163638 C=CCSc1n[nH]c2c1cc(cc2)OC 62a_100000210623_100012353730 [0,2,0,0,0,0|2,0,0]=4 672 B16R2.163638 CCNCc1c[nH]c2c1cc(cc2)OC 270004a_100015525214_100000748866 [0,2,0,0,0,0|1,0,1]=4 673 B16R2.163638 CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_200000210301 [0,2,0,0,0,0|1,0,1]=4 674 B16R2.163638 COCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_200000210301 [0,2,0,0,0,0|0,0,2]=4 675 B16R2.163638 COc1cc2c(c[nH]c2cn1)SCC=O 62a_200015260668_200010163580 [0,2,0,0,0,0|1,0,0]=3 676 B16R2.163638 COc1ccc2[nH]cc(c2c1)CCN[13CH3] 2230a_100000755253_200025704644 [0,2,0,0,0,0|1,0,1]=4 677 B16R2.163638 COc1ccc2[nH]cc(c2c1)CCO[13CH3] 34a_200011933912_200025704644 [0,2,0,0,0,0|0,0,2]=4 678 B16R2.163638 COc1ccc2[nH]cc(c2n1)SCC=O 62a_200015260668_100010199035 [0,2,0,0,0,0|1,0,0]=3 679 B16R2.163638 COc1ccc2[nH]nc(c2c1)SCC=O 62a_200015260668_100012353730 [0,2,0,0,0,0|1,0,0]=3 680 B16R2.163638 COc1ccc2[nH]nc(c2n1)SCC=O 62a_200015260668_200010246295 [0,2,0,0,0,0|2,0,0]=4 681 B16R2.163638 COc1cnc2[nH]cc(c2c1)SCC=O 62a_200015260668_100010199036 [0,2,0,0,0,0|1,0,0]=3 682 B16R2.163638 N#Cc1ccc2[nH]nc(c2c1)SCC=O 62a_200015260668_200009888970 [0,2,0,0,0,0|2,0,0]=4 683 B16R2.163638 O=CCSc1c[nH]c2c1cc(cn2)C=O 62a_200015260668_100010195497 [0,2,0,0,0,0|1,0,1]=4 684 B16R2.163638 O=CCSc1n[nH]c2c1cc(cc2)C=O 62a_200015260668_100009817145 [0,2,0,0,0,0|1,0,1]=4 685 B16R2.163712 O=CCSc1n[nH]c2c1c(c(cc2)Br)F 62a_200010232220_200015260668 [0,2,0,0,0,0|2,0,0]=4 686 B16R2.163712 O=CCSc1n[nH]c2c1c(c(cc2)Br)F 62a_200015260668_200010232220 [0,2,0,0,0,0|2,0,0]=4 687 B16R2.165527 Cc1ccc2c(c1)c(nn2C)SCC=O 62a_200015260668_100000123007 [0,2,0,0,0,0|2,0,0]=4 688 B16R2.165527 Cn1nc(c2c1ccc(c2)Br)SCC=O 62a_100010161270_200015260668 [0,2,0,0,0,0|2,0,0]=4 689 B16R2.165527 Cn1nc(c2c1ccc(c2)Br)SCC=O 62a_200015260668_100010161270 [0,2,0,0,0,0|2,0,0]=4 690 B16R2.165527 Cn1nc(c2c1ccc(c2)F)SCC=O 62a_200000123018_200015260668 [0,2,0,0,0,0|2,0,0]=4 691 B16R2.165527 Cn1nc(c2c1ccc(c2)F)SCC=O 62a_200015260668_200000123018 [0,2,0,0,0,0|2,0,0]=4 692 B16R2.165527 Cn1nc(c2c1ccc(c2)N)SCC=O 62a_100010234897_200015260668 [0,2,0,0,0,0|2,0,0]=4 693 B16R2.165527 Cn1nc(c2c1ccc(c2)N)SCC=O 62a_200015260668_100010234897 [0,2,0,0,0,0|2,0,0]=4 694 B16R2.205493 O=CCOCc1csc2c1cc(cc2)Cl 34a_200000043707_200009817547 [0,2,0,0,0,0|2,0,0]=4 695 B16R2.205493 O=CCOCc1csc2c1cc(cc2)Cl 7a_200000043707_200015260668 [0,2,0,0,0,0|2,0,0]=4 696 B16R2.205493 O=CCSCc1csc2c1cc(cc2)Cl 62a_100009814428_200015260668 [0,2,0,0,0,0|2,0,0]=4 697 B16R2.205493 O=CCSCc1csc2c1cc(cc2)Cl 62a_200015260668_100009814428 [0,2,0,0,0,0|2,0,0]=4 698 B16R2.205493 O=CCSCc1csc2c1cc(cc2)F 62a_100010109839_200015260668 [0,2,0,0,0,0|2,0,0]=4 699 B16R2.205493 O=CCSCc1csc2c1cc(cc2)F 62a_200015260668_100010109839 [0,2,0,0,0,0|2,0,0]=4 700 B16R2.17105 CCOc1ccc2[nH]cc(c2c1)CCO 34a_100000074132_100000210202 [0,2,0,0,0,0|0,0,2]=4 701 B16R2.17105 CCOc1ccc2[nH]cc(c2c1)CNC 270004a_106832991635_100102524904 [0,2,0,0,0,0|2,0,0]=4 702 B16R2.17105 OCCc1c[nH]c2c1cc(cc2)OCF 34a_100000074132_100015361967 [0,2,0,0,0,0|0,0,2]=4 703 B16R2.113583 COCc1cn(c2c1cc(cc2)OC)C 34a_100000077082_200000210301 [0,2,0,0,0,0|2,0,0]=4 704 B16R2.113583 COc1ccc2c(c1)c(cn2C)CO[13CH3] 34a_100000077082_200025704644 [0,2,0,0,0,0|2,0,0]=4 705 B14R2.22 Cc1nc(c[nH]1)c2cccc(c2)O 271570a_100000693801_100009814057 [0,0,1,1,0,0|2,0,0]=4 706 B14R2.926 O=C1CCCN1c2ccc(cc2)O 271570a_203496583355_100000179029 [0,0,1,1,0,0|0,0,2]=4 707 B14R2.926 O=c1[nH]ncn1c2ccc(cc2)O 271570a_203496583355_100012349179 [0,0,1,1,0,0|2,0,0]=4 708 B14R2.946 O=C1CCC1Nc2ccc(cc2)O 34a_100000185829_100009892977 [0,0,1,1,0,0|0,0,2]=4 709 B14R2.5637 O=C1CCCNc2c1cc(cc2)O 271570a_203496583355_100010003710 [0,0,1,1,0,0|0,0,2]=4 710 B14R2.306 Nc1ccc(cc1C2=CCCC2)O 271570a_100000089523_100012001276 [0,0,1,1,0,0|1,0,1]=4 711 B14R2.306 Nc1ccc(cc1C2=CCOC2)O 271570a_100009872500_100012001276 [0,0,1,1,0,0|2,0,0]=4 712 B14R2.306 Nc1ccc(cc1C2=COCC2)O 271570a_100000118173_100012001276 [0,0,1,1,0,0|0,0,2]=4 713 B14R2.306 Nc1ccc(cc1c2cc[nH]c2)O 271570a_100000102155_100012001276 [0,0,1,1,0,0|1,0,1]=4 714 B14R2.306 Nc1ccc(cc1c2ccco2)O 271570a_100000750936_100012001276 [0,0,1,1,0,0|2,0,0]=4 715 B14R2.306 Nc1ccc(cc1c2cccs2)O 271570a_100000742291_100012001276 [0,0,1,1,0,0|2,0,0]=4 716 B14R2.306 Nc1ccc(cc1c2ccoc2)O 271570a_100011218838_100012001276 [0,0,1,1,0,0|0,0,2]=4 717 B14R2.306 Nc1ccc(cc1c2ccsc2)O 271570a_100011934443_100012001276 [0,0,1,1,0,0|0,1,1]=4 718 B14R2.306 Nc1ccc(cc1c2cncs2)O 271570a_100010231675_100012001276 [0,0,1,1,0,0|2,0,0]=4 719 B14R2.8235 Cc1cc(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100009820897 [0,0,1,1,0,0|0,0,2]=4 720 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011934062 [0,0,1,1,0,0|2,0,0]=4 721 B14R2.8235 O=c1[nH]c2ccc(cc2c(=O)o1)O 271570a_203496583355_100000216498 [0,0,1,1,0,0|2,0,0]=4 722 B14R2.8235 O=c1cc(c2cc(ccc2[nH]1)O)O 271570a_203496583355_100000695641 [0,0,1,1,0,0|1,0,1]=4 723 B14R2.30096 C=C(c1cc(ccc1N)O)C2CC2 271570a_100010895485_100012001276 [0,0,1,1,0,0|1,0,1]=4 724 B14R2.134 O=Cc1ccc2ccc(cc2c1)O 271570a_203496583355_100010200085 [0,0,1,1,0,0|1,0,1]=4 725 B14R2.134 O=Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100010174008 [0,0,1,1,0,0|0,0,2]=4 726 B14R2.1745 C=Cc1ccc(c2c1CCC2=O)O 271570a_100011290941_100009816527 [0,0,1,1,0,0|1,0,1]=4 727 B14R2.29369 CN1C(=O)CCc2c1ccc(c2)O 271570a_203496583355_100000699942 [0,0,1,1,0,0|0,0,2]=4 728 B14R2.29369 CN1C(=O)COc2c1ccc(c2)O 271570a_203496583355_100010240413 [0,0,1,1,0,0|1,0,1]=4 729 B16R3.2583 Oc1ccc2[nH]c3c(c2c1)CCCC3 271570a_203496583355_100000728263 [0,1,0,1,0,0|1,0,1]=4 730 B16R3.2583 Oc1ccc2[nH]c3c(c2c1)CNCC3 271570a_203496583355_100000737321 [0,1,0,1,0,0|1,0,1]=4 731 B16R3.2583 Oc1ccc2[nH]c3ccccc3c2c1 271570a_203496583355_100011220005 [0,1,0,1,0,0|1,0,1]=4 732 B16R3.2583 Oc1ccc2[nH]c3ncccc3c2c1 271570a_203496583355_200103153866 [0,1,0,1,0,0|1,0,1]=4 733 B16R3.29373 O=C1Nc2ccc(c3c2c1ccc3)O 271570a_203496583355_100009812017 [0,1,0,1,0,0|1,0,1]=4