0 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [0,0,0,0,0,0|1,0,0]=1 2 B12R2.32 C=Cc1cc2ccccc2s1 271570a_100011290941_100009816949 [0,0,0,0,0,0|1,1,0]=2 3 B12R2.32 C=Cc1cc2cccnc2[nH]1 271570a_100011290941_100010079843 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.32 C=Cc1cn2ccccc2n1 271570a_100011290941_100009819586 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.32 C=Cc1cn2ncccc2n1 271570a_100011290941_200010296001 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.32 C=Cc1nc2ccccc2[nH]1 271570a_100011290941_100009814255 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.32 C=Cc1nc2ccccc2s1 271570a_100011290941_100000751744 [0,0,0,0,0,0|2,1,0]=3 8 B12R2.32 C=Cc1nc2cccnc2s1 271570a_100011290941_100010188088 [0,0,0,0,0,0|3,1,0]=4 9 B12R2.32 CNc1nc2ccccc2[nH]1 27a_100102657272_100009814255 [0,0,0,0,0,0|4,0,0]=4 10 B12R2.32 CNc1nc2ccccc2s1 27a_100102657272_100000751744 [0,0,0,0,0,0|3,1,0]=4 11 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [0,0,0,0,0,0|2,0,0]=2 13 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [0,0,0,0,0,0|2,1,0]=3 14 B12R2.32 CSc1cc2cccnc2[nH]1 62a_200000210301_100010079843 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.32 CSc1cn2ccccc2n1 62a_200000210301_100009819586 [0,0,0,0,0,0|4,0,0]=4 16 B12R2.32 CSc1nc2ccccc2[nH]1 62a_200000210301_100009814255 [0,0,0,0,0,0|4,0,0]=4 17 B12R2.32 CSc1nc2ccccc2s1 62a_200000210301_100000751744 [0,0,0,0,0,0|3,1,0]=4 18 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [0,0,0,0,0,0|3,0,0]=3 19 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [0,0,0,0,0,0|2,0,0]=2 20 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [0,0,0,0,0,0|2,1,0]=3 21 B12R2.32 [13CH3]Sc1cc2cccnc2[nH]1 62a_200025704644_100010079843 [0,0,0,0,0,0|4,0,0]=4 22 B12R2.32 [13CH3]Sc1cn2ccccc2n1 62a_200025704644_100009819586 [0,0,0,0,0,0|4,0,0]=4 23 B12R2.32 [13CH3]Sc1nc2ccccc2[nH]1 62a_200025704644_100009814255 [0,0,0,0,0,0|4,0,0]=4 24 B12R2.32 [13CH3]Sc1nc2ccccc2s1 62a_200025704644_100000751744 [0,0,0,0,0,0|3,1,0]=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|0,0,1]=2 27 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,0,0|0,1,1]=3 28 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,0,0,0,0,0|2,0,1]=4 29 B11R2.10 Oc1cn2ccccc2n1 271570a_203496583355_100009819586 [1,0,0,0,0,0|2,0,1]=4 30 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,0,0,0|2,0,1]=4 31 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [1,0,0,0,0,0|1,1,1]=4 32 B13R2.26 C=C=Cc1cc2ccccc2[nH]1 271570a_100015277604_100010232065 [0,1,0,0,0,0|2,0,0]=3 33 B13R2.26 C=C=Cc1cc2ccccc2o1 271570a_100015277604_100010159458 [0,1,0,0,0,0|1,0,0]=2 34 B13R2.26 C=C=Cc1cc2ccccc2s1 271570a_100015277604_100009816949 [0,1,0,0,0,0|1,1,0]=3 35 B13R2.26 C=C=Cc1cc2cccnc2[nH]1 271570a_100015277604_100010079843 [0,1,0,0,0,0|3,0,0]=4 36 B13R2.26 C=C=Cc1cn2ccccc2n1 271570a_100015277604_100009819586 [0,1,0,0,0,0|3,0,0]=4 37 B13R2.26 C=C=Cc1nc2ccccc2[nH]1 271570a_100015277604_100009814255 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.26 C=C=Cc1nc2ccccc2s1 271570a_100015277604_100000751744 [0,1,0,0,0,0|2,1,0]=4 39 B13R2.26 CC=Cc1cc2ccccc2[nH]1 271570a_100016259895_100010232065 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.26 CC=Cc1cc2ccccc2o1 271570a_100016259895_100010159458 [0,1,0,0,0,0|1,0,0]=2 41 B13R2.26 CC=Cc1cc2ccccc2s1 271570a_100016259895_100009816949 [0,1,0,0,0,0|1,1,0]=3 42 B13R2.26 CC=Cc1cc2cccnc2[nH]1 271570a_100016259895_100010079843 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.26 CC=Cc1cn2ccccc2n1 271570a_100016259895_100009819586 [0,1,0,0,0,0|3,0,0]=4 44 B13R2.26 CC=Cc1nc2ccccc2[nH]1 271570a_100016259895_100009814255 [0,1,0,0,0,0|3,0,0]=4 45 B13R2.26 CC=Cc1nc2ccccc2s1 271570a_100016259895_100000751744 [0,1,0,0,0,0|2,1,0]=4 46 B13R2.26 CCSc1cc2ccccc2[nH]1 62a_100000210202_100010232065 [0,1,0,0,0,0|2,0,1]=4 47 B13R2.26 CCSc1cc2ccccc2o1 62a_100000210202_100010159458 [0,1,0,0,0,0|1,0,1]=3 48 B13R2.26 CCSc1cc2ccccc2s1 62a_100000210202_100009816949 [0,1,0,0,0,0|1,1,1]=4 49 B13R2.26 CNCc1cc2ccccc2[nH]1 270004a_106832991635_100000051030 [0,1,0,0,0,0|2,0,1]=4 50 B13R2.26 CNCc1cc2ccccc2o1 207a_100102657272_100000229944 [0,1,0,0,0,0|1,0,1]=3 51 B13R2.26 CNCc1cc2ccccc2o1 270004a_106832991635_100000229944 [0,1,0,0,0,0|1,0,1]=3 52 B13R2.26 CNCc1cc2ccccc2s1 207a_100102657272_100000686906 [0,1,0,0,0,0|1,1,1]=4 53 B13R2.26 CNCc1cc2ccccc2s1 2230a_100015187092_200000210301 [0,1,0,0,0,0|1,1,1]=4 54 B13R2.26 CNCc1cc2ccccc2s1 270004a_106832991635_100000686906 [0,1,0,0,0,0|1,1,1]=4 55 B13R2.26 CNCc1cc2cnccc2o1 207a_100102657272_100009860033 [0,1,0,0,0,0|2,0,1]=4 56 B13R2.26 CNCc1cc2cnccc2o1 270004a_106832991635_100009860033 [0,1,0,0,0,0|2,0,1]=4 57 B13R2.26 CNCc1cc2ncccc2o1 207a_100102657272_100000104172 [0,1,0,0,0,0|2,0,1]=4 58 B13R2.26 CNCc1cc2ncccc2o1 270004a_106832991635_100000104172 [0,1,0,0,0,0|2,0,1]=4 59 B13R2.26 CNCc1nc2ccccc2o1 2230a_106832991635_100000195508 [0,1,0,0,0,0|2,0,1]=4 60 B13R2.26 CNCc1nc2ccccc2o1 34a_100102657272_200012361514 [0,1,0,0,0,0|2,0,1]=4 61 B13R2.26 CNCc1nc2ccccc2o1 7a_106832991635_100000195508 [0,1,0,0,0,0|2,0,1]=4 62 B13R2.26 COCc1cc2ccccc2o1 34a_100000233474_200000210301 [0,1,0,0,0,0|0,0,2]=3 63 B13R2.26 COCc1cc2ccccc2o1 7a_100000233474_200000210301 [0,1,0,0,0,0|0,0,2]=3 64 B13R2.26 COCc1nc2ccccc2o1 34a_100138415774_200012361514 [0,1,0,0,0,0|1,0,2]=4 65 B13R2.26 CSCc1nc2ccccc2o1 62a_200000210301_100000195508 [0,1,0,0,0,0|1,1,1]=4 66 B13R2.26 FCSc1cc2ccccc2[nH]1 62a_100015361967_100010232065 [0,1,0,0,0,0|2,0,1]=4 67 B13R2.26 FCSc1cc2ccccc2o1 62a_100015361967_100010159458 [0,1,0,0,0,0|1,0,1]=3 68 B13R2.26 FCSc1cc2ccccc2s1 62a_100015361967_100009816949 [0,1,0,0,0,0|1,1,1]=4 69 B13R2.26 O=CCN1Cc2ccccc2C1 2230a_100000752595_200015260668 [0,1,0,0,0,0|2,0,1]=4 70 B13R2.26 O=CCN1Cc2ccccc2C1 269982a_100000752595_200015260668 [0,1,0,0,0,0|2,0,1]=4 71 B13R2.26 O=CCN1Cc2ccccc2C1 34a_100000752595_200009817547 [0,1,0,0,0,0|2,0,1]=4 72 B13R2.26 [13CH3]NCc1cc2ccccc2s1 2230a_100015187092_200025704644 [0,1,0,0,0,0|1,1,1]=4 73 B13R2.26 [13CH3]OCc1cc2ccccc2o1 34a_100000233474_200025704644 [0,1,0,0,0,0|0,0,2]=3 74 B13R2.26 [13CH3]OCc1cc2ccccc2o1 7a_100000233474_200025704644 [0,1,0,0,0,0|0,0,2]=3 75 B13R2.26 [13CH3]SCc1nc2ccccc2o1 62a_200025704644_100000195508 [0,1,0,0,0,0|1,1,1]=4 76 B13R2.43 C=Cc1cc2cc(ccc2[nH]1)Br 271570a_100011290941_100011012855 [0,1,0,0,0,0|2,0,0]=3 77 B13R2.43 C=Cc1cc2cc(ccc2s1)Br 271570a_100011290941_200010198765 [0,1,0,0,0,0|1,1,0]=3 78 B13R2.43 C=Cc1cn2cc(ccc2n1)F 271570a_100011290941_100010231931 [0,1,0,0,0,0|3,0,0]=4 79 B13R2.43 C=Cc1nc2cc(ccc2s1)F 271570a_100011290941_200010206605 [0,1,0,0,0,0|2,1,0]=4 80 B13R2.43 C=Cc1nc2cc(ccc2s1)N 271570a_100011290941_100010329861 [0,1,0,0,0,0|2,1,0]=4 81 B13R2.43 C=Cc1nc2ccc(cc2s1)C 271570a_100011290941_100010186437 [0,1,0,0,0,0|2,1,0]=4 82 B13R2.43 C=Cc1nc2ccc(cc2s1)F 271570a_100011290941_100000751617 [0,1,0,0,0,0|2,1,0]=4 83 B13R2.43 C=Cc1nc2ccc(cc2s1)N 271570a_100011290941_100010253933 [0,1,0,0,0,0|2,1,0]=4 84 B13R2.43 C=Cc1nc2ccc(cc2s1)O 271570a_100011290941_100010063415 [0,1,0,0,0,0|2,1,0]=4 85 B13R2.43 CCc1cc2cc(ccc2o1)O 271570a_203496583355_200010233821 [0,1,0,0,0,0|1,0,1]=3 86 B13R2.43 CCc1nc2cc(ccc2o1)O 271570a_203496583355_100009817032 [0,1,0,0,0,0|2,0,1]=4 87 B13R2.43 CSc1cc2cc(ccc2[nH]1)Br 62a_100011012855_200000210301 [0,1,0,0,0,0|3,0,0]=4 88 B13R2.43 CSc1cc2cc(ccc2[nH]1)Br 62a_200000210301_100011012855 [0,1,0,0,0,0|3,0,0]=4 89 B13R2.43 CSc1cc2cc(ccc2s1)Br 62a_200000210301_200010198765 [0,1,0,0,0,0|2,1,0]=4 90 B13R2.43 CSc1cc2cc(ccc2s1)Br 62a_200010198765_200000210301 [0,1,0,0,0,0|2,1,0]=4 91 B13R2.43 N#Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100010261159 [0,1,0,0,0,0|2,0,1]=4 92 B13R2.43 N#Cc1cc2cc(ccc2s1)O 271570a_203496583355_200010238524 [0,1,0,0,0,0|1,1,1]=4 93 B13R2.43 N#Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010739539 [0,1,0,0,0,0|2,0,1]=4 94 B13R2.43 O=Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009820874 [0,1,0,0,0,0|1,0,0]=2 95 B13R2.43 O=Cc1cc2cc(ccc2o1)O 271570a_203496583355_100000755920 [0,1,0,0,0,0|0,0,0]=1 96 B13R2.43 O=Cc1cc2cc(ccc2s1)O 271570a_203496583355_100010238522 [0,1,0,0,0,0|0,1,0]=2 97 B13R2.43 O=Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000736022 [0,1,0,0,0,0|1,0,0]=2 98 B13R2.43 O=Cc1cc2ccc(cc2s1)O 271570a_203496583355_100009814784 [0,1,0,0,0,0|0,1,0]=2 99 B13R2.43 O=Cc1cn2cc(ccc2n1)O 271570a_203496583355_100012351728 [0,1,0,0,0,0|2,0,0]=3 100 B13R2.43 O=Cc1cn2ccc(cc2n1)O 271570a_203496583355_100000731868 [0,1,0,0,0,0|2,0,0]=3 101 B13R2.43 O=Cc1nc2ccc(cc2[nH]1)O 271570a_203496583355_200011361486 [0,1,0,0,0,0|2,0,0]=3 102 B13R2.43 OCc1cc2cc(ccc2o1)O 271570a_203496583355_100011934623 [0,1,0,0,0,0|0,0,2]=3 103 B13R2.43 OCc1cc2cc(ccc2s1)O 271570a_203496583355_100010255381 [0,1,0,0,0,0|0,1,2]=4 104 B13R2.43 OCc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000735881 [0,1,0,0,0,0|1,0,2]=4 105 B13R2.43 OCc1cc2ccc(cc2s1)O 271570a_203496583355_100010244134 [0,1,0,0,0,0|0,1,2]=4 106 B13R2.43 OCc1cc2nc(ccc2o1)O 271570a_203496583355_100000732455 [0,1,0,0,0,0|1,0,2]=4 107 B13R2.43 [13CH3]Sc1cc2cc(ccc2[nH]1)Br 62a_100011012855_200025704644 [0,1,0,0,0,0|3,0,0]=4 108 B13R2.43 [13CH3]Sc1cc2cc(ccc2[nH]1)Br 62a_200025704644_100011012855 [0,1,0,0,0,0|3,0,0]=4 109 B13R2.43 [13CH3]Sc1cc2cc(ccc2s1)Br 62a_200010198765_200025704644 [0,1,0,0,0,0|2,1,0]=4 110 B13R2.43 [13CH3]Sc1cc2cc(ccc2s1)Br 62a_200025704644_200010198765 [0,1,0,0,0,0|2,1,0]=4 111 B13R2.45 C=Cc1nc2ccccc2n1C 271570a_100011290941_200000239431 [0,1,0,0,0,0|3,0,0]=4 112 B13R2.45 C=Cc1sc2ccccc2c1C 271570a_100011290941_200010198769 [0,1,0,0,0,0|1,1,0]=3 113 B13R2.45 COc1cc2ccccc2n1C 34a_100000066695_200000210301 [0,1,0,0,0,0|3,0,0]=4 114 B13R2.45 CSc1sc2ccccc2c1Br 62a_100015504031_200000210301 [0,1,0,0,0,0|2,1,0]=4 115 B13R2.45 CSc1sc2ccccc2c1Br 62a_200000210301_100015504031 [0,1,0,0,0,0|2,1,0]=4 116 B13R2.45 CSc1sc2ccccc2c1C 62a_200000210301_200010198769 [0,1,0,0,0,0|2,1,0]=4 117 B13R2.45 Cc1c(sc2c1cccc2)S[13CH3] 62a_200025704644_200010198769 [0,1,0,0,0,0|2,1,0]=4 118 B13R2.45 Cn1c(cc2c1cccc2)O[13CH3] 34a_100000066695_200025704644 [0,1,0,0,0,0|3,0,0]=4 119 B13R2.45 O=Cc1nc2ncccn2c1O 271570a_203496583355_200009817305 [0,1,0,0,0,0|3,0,0]=4 120 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,1,0,0,0,0|0,1,0]=2 121 B13R2.45 [13CH3]Sc1sc2ccccc2c1Br 62a_100015504031_200025704644 [0,1,0,0,0,0|2,1,0]=4 122 B13R2.45 [13CH3]Sc1sc2ccccc2c1Br 62a_200025704644_100015504031 [0,1,0,0,0,0|2,1,0]=4 123 B13R2.54 C=Cc1cc2c(ccnc2[nH]1)Cl 271570a_100011290941_100010234028 [0,1,0,0,0,0|3,0,0]=4 124 B13R2.54 C=Cc1cc2c(nccc2s1)O 271570a_100011290941_100010116216 [0,1,0,0,0,0|2,1,0]=4 125 B13R2.54 C=Cc1cc2cccc(c2[nH]1)Br 271570a_100011290941_100135389745 [0,1,0,0,0,0|2,0,0]=3 126 B13R2.54 C=Cc1cc2nccc(c2s1)Cl 271570a_100011290941_100010192579 [0,1,0,0,0,0|2,1,0]=4 127 B13R2.54 C=Cc1nc2c(cccc2s1)C 271570a_100011290941_100010008827 [0,1,0,0,0,0|2,1,0]=4 128 B13R2.54 C=Cc1nc2c(cccc2s1)F 271570a_100011290941_100010008856 [0,1,0,0,0,0|2,1,0]=4 129 B13R2.54 CSc1cc2cccc(c2[nH]1)Br 62a_100135389745_200000210301 [0,1,0,0,0,0|3,0,0]=4 130 B13R2.54 CSc1cc2cccc(c2[nH]1)Br 62a_200000210301_100135389745 [0,1,0,0,0,0|3,0,0]=4 131 B13R2.54 N#Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010174851 [0,1,0,0,0,0|2,0,1]=4 132 B13R2.54 O=Cc1cc2c(cccc2s1)O 271570a_203496583355_100010109917 [0,1,0,0,0,0|0,1,0]=2 133 B13R2.54 O=Cc1cc2cccc(c2s1)O 271570a_203496583355_100010110135 [0,1,0,0,0,0|0,1,0]=2 134 B13R2.54 O=Cc1cc2nccc(c2s1)O 271570a_203496583355_100009883415 [0,1,0,0,0,0|1,1,0]=3 135 B13R2.54 O=Cc1cc2ncnc(c2s1)O 271570a_203496583355_100009883414 [0,1,0,0,0,0|2,1,0]=4 136 B13R2.54 O=Cc1cn2c(cccc2n1)O 271570a_203496583355_100010238484 [0,1,0,0,0,0|2,0,0]=3 137 B13R2.54 O=Cc1cn2cccc(c2n1)O 271570a_203496583355_100012360382 [0,1,0,0,0,0|2,0,0]=3 138 B13R2.54 OCc1cc2cccc(c2s1)O 271570a_203496583355_100010255382 [0,1,0,0,0,0|0,1,2]=4 139 B13R2.54 [13CH3]Sc1cc2cccc(c2[nH]1)Br 62a_100135389745_200025704644 [0,1,0,0,0,0|3,0,0]=4 140 B13R2.54 [13CH3]Sc1cc2cccc(c2[nH]1)Br 62a_200025704644_100135389745 [0,1,0,0,0,0|3,0,0]=4 141 B13R2.435 C=C(C)c1cc2ccccc2[nH]1 271570a_100000694244_100010232065 [0,1,0,0,0,0|2,0,0]=3 142 B13R2.435 C=C(C)c1cc2ccccc2o1 271570a_100000694244_100010159458 [0,1,0,0,0,0|1,0,0]=2 143 B13R2.435 C=C(C)c1cc2ccccc2s1 271570a_100000694244_100009816949 [0,1,0,0,0,0|1,1,0]=3 144 B13R2.435 C=C(C)c1cc2cccnc2[nH]1 271570a_100000694244_100010079843 [0,1,0,0,0,0|3,0,0]=4 145 B13R2.435 C=C(C)c1cn2ccccc2n1 271570a_100000694244_100009819586 [0,1,0,0,0,0|3,0,0]=4 146 B13R2.435 C=C(C)c1nc2ccccc2[nH]1 271570a_100000694244_100009814255 [0,1,0,0,0,0|3,0,0]=4 147 B13R2.435 C=C(C)c1nc2ccccc2s1 271570a_100000694244_100000751744 [0,1,0,0,0,0|2,1,0]=4 148 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,1,0,0,0,0|1,0,0]=2 149 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [0,1,0,0,0,0|1,0,2]=4 150 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [0,1,0,0,0,0|1,0,2]=4 151 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,1,0,0,0,0|0,0,2]=3 152 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [0,1,0,0,0,0|0,1,2]=4 153 B13R2.435 CC(=O)N1Cc2ccccc2C1 11a_100000752595_100015343762 [0,1,0,0,0,0|2,0,1]=4 154 B13R2.435 CC(=O)N1Cc2ccccc2C1 1626a_100000752595_100015343762 [0,1,0,0,0,0|2,0,1]=4 155 B13R2.435 CC(=O)N1Cc2ccccc2C1 240690a_100000752595_100015343762 [0,1,0,0,0,0|2,0,1]=4 156 B13R2.435 CC(=O)N1Cc2ccccc2C1 527a_100000752595_100103153847 [0,1,0,0,0,0|2,0,1]=4 157 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,1,0,0,0,0|1,0,0]=2 158 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [0,1,0,0,0,0|1,0,2]=4 159 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,1,0,0,0,0|0,0,2]=3 160 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [0,1,0,0,0,0|0,1,2]=4 161 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [0,0,1,0,0,0|2,0,1]=4 162 B11R1.17 C=CCOc1ccccc1Br 34a_100000181306_100015514636 [0,0,1,0,0,0|2,0,1]=4 163 B11R1.17 C=CCOc1ccccc1Br 7a_100000181306_100015514636 [0,0,1,0,0,0|2,0,1]=4 164 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [0,0,1,0,0,0|1,0,2]=4 165 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [0,0,1,0,0,0|1,0,2]=4 166 B11R1.17 C=CCOc1ccccc1Cl 34a_100000210172_100015514636 [0,0,1,0,0,0|2,0,1]=4 167 B11R1.17 C=CCOc1ccccc1Cl 7a_100000210172_100015514636 [0,0,1,0,0,0|2,0,1]=4 168 B11R1.17 C=CCOc1ccccc1F 34a_100000210171_100015514636 [0,0,1,0,0,0|2,0,1]=4 169 B11R1.17 C=CCOc1ccccc1F 7a_100000210171_100015514636 [0,0,1,0,0,0|2,0,1]=4 170 B11R1.17 C=CCOc1ccccc1I 34a_100000739446_100015514636 [0,0,1,0,0,0|2,0,1]=4 171 B11R1.17 C=CCOc1ccccc1I 7a_100000739446_100015514636 [0,0,1,0,0,0|2,0,1]=4 172 B11R1.17 C=CCOc1ccccc1N 34a_100000185747_100015514636 [0,0,1,0,0,0|2,0,1]=4 173 B11R1.17 C=CCOc1ccccc1N 7a_100000185747_100015514636 [0,0,1,0,0,0|2,0,1]=4 174 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [0,0,1,0,0,0|2,0,1]=4 175 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [0,0,1,0,0,0|2,0,1]=4 176 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [0,0,1,0,0,0|1,0,2]=4 177 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [0,0,1,0,0,0|0,0,2]=3 178 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [0,0,1,0,0,0|0,0,2]=3 179 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [0,0,1,0,0,0|0,1,2]=4 180 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [0,0,1,0,0,0|0,1,2]=4 181 B11R1.17 Cc1ccncc1OCC=O 34a_100011997053_200009817547 [0,0,1,0,0,0|1,0,2]=4 182 B11R1.17 Cc1ccncc1OCC=O 7a_100011997053_200015260668 [0,0,1,0,0,0|1,0,2]=4 183 B11R1.17 Cc1cnccc1OCC=O 34a_100000694293_200009817547 [0,0,1,0,0,0|1,0,2]=4 184 B11R1.17 Cc1ncccc1OCC=O 34a_100000745507_200009817547 [0,0,1,0,0,0|1,0,2]=4 185 B11R1.17 Cc1ncccc1OCC=O 7a_100000745507_200015260668 [0,0,1,0,0,0|1,0,2]=4 186 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [0,0,1,0,0,0|1,0,1]=3 187 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [0,0,1,0,0,0|1,0,1]=3 188 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [0,0,1,0,0,0|1,1,1]=4 189 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [0,0,1,0,0,0|1,1,1]=4 190 B11R1.17 Nc1cccnc1OCC=O 34a_100000746358_200009817547 [0,0,1,0,0,0|2,0,1]=4 191 B11R1.17 Nc1ccncc1OCC=O 34a_100000753702_200009817547 [0,0,1,0,0,0|2,0,1]=4 192 B11R1.17 Nc1ncccc1OCC=O 34a_100000211975_200009817547 [0,0,1,0,0,0|2,0,1]=4 193 B11R1.17 Nc1ncccc1OCC=O 7a_100000211975_200015260668 [0,0,1,0,0,0|2,0,1]=4 194 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [0,0,1,0,0,0|0,0,2]=3 195 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [0,0,1,0,0,0|2,0,1]=4 196 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [0,0,1,0,0,0|2,0,1]=4 197 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [0,0,1,0,0,0|2,0,1]=4 198 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [0,0,1,0,0,0|2,0,1]=4 199 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [0,0,1,0,0,0|1,0,1]=3 200 B11R1.17 O=CCOc1cccc[n+]1[O-] 7a_100000211761_200015260668 [0,0,1,0,0,0|2,0,1]=4 201 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [0,0,1,0,0,0|1,0,1]=3 202 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [0,0,1,0,0,0|1,0,1]=3 203 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [0,0,1,0,0,0|1,0,1]=3 204 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [0,0,1,0,0,0|1,0,1]=3 205 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [0,0,1,0,0,0|1,0,1]=3 206 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [0,0,1,0,0,0|1,0,1]=3 207 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [0,0,1,0,0,0|1,0,1]=3 208 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [0,0,1,0,0,0|1,0,1]=3 209 B11R1.17 O=CCOc1cccnc1Br 34a_100000744436_200009817547 [0,0,1,0,0,0|2,0,1]=4 210 B11R1.17 O=CCOc1cccnc1Br 7a_100000744436_200015260668 [0,0,1,0,0,0|2,0,1]=4 211 B11R1.17 O=CCOc1cccnc1Cl 34a_100000757616_200009817547 [0,0,1,0,0,0|2,0,1]=4 212 B11R1.17 O=CCOc1cccnc1Cl 7a_100000757616_200015260668 [0,0,1,0,0,0|2,0,1]=4 213 B11R1.17 O=CCOc1cccnc1F 34a_100000061740_200009817547 [0,0,1,0,0,0|2,0,1]=4 214 B11R1.17 O=CCOc1cccnc1F 7a_100000061740_200015260668 [0,0,1,0,0,0|2,0,1]=4 215 B11R1.17 O=CCOc1cccnc1I 34a_100000034122_200009817547 [0,0,1,0,0,0|2,0,1]=4 216 B11R1.17 O=CCOc1cccnc1I 7a_100000034122_200015260668 [0,0,1,0,0,0|2,0,1]=4 217 B11R1.17 O=CCOc1cccoc1=O 34a_100000077404_200009817547 [0,0,1,0,0,0|2,0,1]=4 218 B11R1.17 O=CCOc1cccoc1=O 7a_100000077404_200015260668 [0,0,1,0,0,0|2,0,1]=4 219 B11R1.17 O=CCOc1ccncc1Br 34a_100011996408_200009817547 [0,0,1,0,0,0|2,0,1]=4 220 B11R1.17 O=CCOc1ccncc1Cl 34a_100011997054_200009817547 [0,0,1,0,0,0|2,0,1]=4 221 B11R1.17 O=CCOc1ccncc1F 34a_200000081243_200009817547 [0,0,1,0,0,0|2,0,1]=4 222 B11R1.17 O=CCOc1cnccc1Cl 34a_100011996695_200009817547 [0,0,1,0,0,0|2,0,1]=4 223 B11R1.17 O=CCOc1cnccc1I 34a_100000050107_200009817547 [0,0,1,0,0,0|2,0,1]=4 224 B11R1.17 O=CCOc1coccc1=O 34a_100000060831_200009817547 [0,0,1,0,0,0|2,0,1]=4 225 B11R1.17 O=CCOc1ncccc1Cl 34a_100011290957_200009817547 [0,0,1,0,0,0|2,0,1]=4 226 B11R1.17 O=CCOc1ncccc1F 34a_100011219419_200009817547 [0,0,1,0,0,0|2,0,1]=4 227 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [0,0,1,0,0,0|1,1,1]=4 228 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [0,0,1,0,0,0|1,1,1]=4 229 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [0,0,1,0,0,0|1,1,1]=4 230 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [0,0,1,0,0,0|1,1,1]=4 231 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [0,0,1,0,0,0|1,1,1]=4 232 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [0,0,1,0,0,0|1,1,1]=4 233 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [0,0,1,0,0,0|1,0,1]=3 234 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [0,0,1,0,0,0|1,0,1]=3 235 B11R1.17 O=CCSc1cccnc1O 62a_100000760158_200015260668 [0,0,1,0,0,0|2,0,1]=4 236 B11R1.17 O=CCSc1cccnc1O 62a_200015260668_100000760158 [0,0,1,0,0,0|2,0,1]=4 237 B11R1.17 O=CCSc1ccncc1O 62a_100009817591_200015260668 [0,0,1,0,0,0|2,0,1]=4 238 B11R1.17 O=CCSc1ccncc1O 62a_200015260668_100009817591 [0,0,1,0,0,0|2,0,1]=4 239 B11R1.17 O=CCSc1ncccc1O 62a_100000034122_200015260668 [0,0,1,0,0,0|2,0,1]=4 240 B11R1.17 O=CCSc1ncccc1O 62a_200015260668_100000034122 [0,0,1,0,0,0|2,0,1]=4 241 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,1,0,0,0|1,0,2]=4 242 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,0,1,0,0,0|2,0,1]=4 243 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,0,1,0,0,0|2,0,1]=4 244 B11R1.185 C=C=Cc1cc(sc1C)C=O 271570a_100015277604_100000708457 [0,0,1,0,0,0|0,1,2]=4 245 B11R1.185 C=C=Cc1sc(cc1C)C=O 271570a_100015277604_100000761930 [0,0,1,0,0,0|0,1,2]=4 246 B11R1.185 CC=Cc1cc(sc1C)C=O 271570a_100016259895_100000708457 [0,0,1,0,0,0|0,1,2]=4 247 B11R1.185 CC=Cc1sc(cc1C)C=O 271570a_100016259895_100000761930 [0,0,1,0,0,0|0,1,2]=4 248 B11R1.214 C=CCSc1c[nH]c(c1)C=O 62a_100000210623_100000720742 [0,0,1,0,0,0|2,0,1]=4 249 B11R1.214 C=CCSc1c[nH]c(c1)C=O 62a_100000720742_100000210623 [0,0,1,0,0,0|2,0,1]=4 250 B11R1.214 C=CCSc1cc(on1)C=O 62a_100000210623_100009819588 [0,0,1,0,0,0|2,0,1]=4 251 B11R1.214 C=CCSc1cc(on1)C=O 62a_100009819588_100000210623 [0,0,1,0,0,0|2,0,1]=4 252 B11R1.214 C=CCSc1ccc([nH]1)C=O 62a_100000210623_100009875417 [0,0,1,0,0,0|2,0,1]=4 253 B11R1.214 C=CCSc1ccc(o1)C=O 62a_100000210623_100000186757 [0,0,1,0,0,0|1,0,1]=3 254 B11R1.214 C=CCSc1ccc(s1)C=O 62a_100000179771_100000210623 [0,0,1,0,0,0|1,1,1]=4 255 B11R1.214 C=CCSc1ccc(s1)C=O 62a_100000210623_100000179771 [0,0,1,0,0,0|1,1,1]=4 256 B11R1.214 C=CCSc1coc(c1)C=O 62a_100000210623_100000747035 [0,0,1,0,0,0|1,0,1]=3 257 B11R1.214 C=CCSc1coc(c1)C=O 62a_100000747035_100000210623 [0,0,1,0,0,0|1,0,1]=3 258 B11R1.214 C=CCSc1csc(c1)C=O 62a_100000210623_100000211722 [0,0,1,0,0,0|1,1,1]=4 259 B11R1.214 C=CCSc1csc(c1)C=O 62a_100000211722_100000210623 [0,0,1,0,0,0|1,1,1]=4 260 B11R1.214 O=CCSc1ccc(o1)C=O 62a_200015260668_100000186757 [0,0,1,0,0,0|2,0,1]=4 261 B11R1.214 O=CCSc1coc(c1)C=O 62a_100000747035_200015260668 [0,0,1,0,0,0|2,0,1]=4 262 B11R1.214 O=CCSc1coc(c1)C=O 62a_200015260668_100000747035 [0,0,1,0,0,0|2,0,1]=4 263 B11R2.15 C=Cc1cc2sccc2s1 271570a_100011290941_200010191111 [0,0,0,0,1,0|2,1,0]=4 264 B13R2.57 C=Cc1cc2ccccc2cn1 271570a_100011290941_100000047361 [0,0,0,0,0,1|2,0,0]=3 265 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [0,0,0,0,0,1|2,0,0]=3 266 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [0,0,0,0,0,1|2,0,0]=3 267 B13R2.57 C=Cc1ccc2cccnc2c1 271570a_100011290941_100009816655 [0,0,0,0,0,1|3,0,0]=4 268 B13R2.57 C=Cc1ccc2cccnc2n1 271570a_100011290941_100009888989 [0,0,0,0,0,1|3,0,0]=4 269 B13R2.57 C=Cc1ccc2ccncc2c1 271570a_100011290941_100000686496 [0,0,0,0,0,1|3,0,0]=4 270 B13R2.57 C=Cc1ccc2ccncc2n1 271570a_100011290941_100000020162 [0,0,0,0,0,1|3,0,0]=4 271 B13R2.57 C=Cc1ccc2cnccc2c1 271570a_100011290941_100009816743 [0,0,0,0,0,1|3,0,0]=4 272 B13R2.57 C=Cc1ccc2ncccc2c1 271570a_100011290941_100000754243 [0,0,0,0,0,1|3,0,0]=4 273 B13R2.57 C=Cc1ccc2ncccc2n1 271570a_100011290941_100000073381 [0,0,0,0,0,1|3,0,0]=4 274 B13R2.57 C=Cc1cnc2ccccc2c1 271570a_100011290941_100000737414 [0,0,0,0,0,1|2,0,0]=3 275 B13R2.57 C=Cc1cnc2ccccc2n1 271570a_100011290941_100000756483 [0,0,0,0,0,1|2,0,0]=3 276 B13R2.57 C=Cc1cnc2cccnc2c1 271570a_100011290941_100010246316 [0,0,0,0,0,1|3,0,0]=4 277 B13R2.57 C=Cc1cnc2ncccc2n1 271570a_100011290941_100000084304 [0,0,0,0,0,1|3,0,0]=4 278 B13R2.57 C=Cc1ncc2ccccc2n1 271570a_100011290941_100000097389 [0,0,0,0,0,1|2,0,0]=3 279 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [0,0,0,0,0,1|3,0,0]=4 280 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [0,0,0,0,0,1|3,0,0]=4 281 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [0,0,0,0,0,1|3,0,0]=4 282 B13R2.57 CNc1cnc2ccccc2n1 27a_100102657272_100000756483 [0,0,0,0,0,1|3,0,0]=4 283 B13R2.57 CNc1ncc2ccccc2n1 27a_100102657272_100000097389 [0,0,0,0,0,1|3,0,0]=4 284 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [0,0,0,0,0,1|3,0,0]=4 285 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [0,0,0,0,0,1|3,0,0]=4 286 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [0,0,0,0,0,1|3,0,0]=4 287 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [0,0,0,0,0,1|3,0,0]=4 288 B13R2.57 CSc1cc2ccccc2cn1 62a_100009816522_200000210301 [0,0,0,0,0,1|3,0,0]=4 289 B13R2.57 CSc1cc2ccccc2cn1 62a_200000210301_100000047361 [0,0,0,0,0,1|3,0,0]=4 290 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [0,0,0,0,0,1|3,0,0]=4 291 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [0,0,0,0,0,1|3,0,0]=4 292 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [0,0,0,0,0,1|3,0,0]=4 293 B13R2.57 CSc1cnc2ccccc2c1 62a_200000210301_100000737414 [0,0,0,0,0,1|3,0,0]=4 294 B13R2.57 CSc1cnc2ccccc2n1 62a_100000756483_200000210301 [0,0,0,0,0,1|3,0,0]=4 295 B13R2.57 CSc1cnc2ccccc2n1 62a_200000210301_100000756483 [0,0,0,0,0,1|3,0,0]=4 296 B13R2.57 CSc1ncc2ccccc2n1 62a_200000210301_100000097389 [0,0,0,0,0,1|3,0,0]=4 297 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [0,0,0,0,0,1|3,0,0]=4 298 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [0,0,0,0,0,1|3,0,0]=4 299 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [0,0,0,0,0,1|3,0,0]=4 300 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [0,0,0,0,0,1|3,0,0]=4 301 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [0,0,0,0,0,1|3,0,0]=4 302 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [0,0,0,0,0,1|3,0,0]=4 303 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_100009816522_200025704644 [0,0,0,0,0,1|3,0,0]=4 304 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_200025704644_100000047361 [0,0,0,0,0,1|3,0,0]=4 305 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [0,0,0,0,0,1|3,0,0]=4 306 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [0,0,0,0,0,1|3,0,0]=4 307 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [0,0,0,0,0,1|3,0,0]=4 308 B13R2.57 [13CH3]Sc1cnc2ccccc2c1 62a_200025704644_100000737414 [0,0,0,0,0,1|3,0,0]=4 309 B13R2.57 [13CH3]Sc1cnc2ccccc2n1 62a_100000756483_200025704644 [0,0,0,0,0,1|3,0,0]=4 310 B13R2.57 [13CH3]Sc1cnc2ccccc2n1 62a_200025704644_100000756483 [0,0,0,0,0,1|3,0,0]=4 311 B13R2.57 [13CH3]Sc1ncc2ccccc2n1 62a_200025704644_100000097389 [0,0,0,0,0,1|3,0,0]=4 312 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [1,0,1,0,0,0|1,0,1]=4 313 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,0,1,0,0,0|1,0,1]=4 314 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,0,1,0,0,0|1,0,1]=4 315 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [1,0,1,0,0,0|1,0,1]=4 316 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,0,1,0,0,0|1,0,1]=4 317 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,0,1,0,0,0|0,0,1]=3 318 B10R1.4 C=C=Cc1ccncc1O 271570a_100015277604_100009817591 [1,0,1,0,0,0|1,0,1]=4 319 B10R1.4 C=C=Cc1ncccc1O 271570a_100015277604_100000034122 [1,0,1,0,0,0|1,0,1]=4 320 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,0,1,0,0,0|0,0,1]=3 321 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,0,1,0,0,0|1,0,1]=4 322 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,0,1,0,0,0|1,0,1]=4 323 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,0,1,0,0,0|1,0,1]=4 324 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,0,1,0,0,0|1,0,1]=4 325 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,0,1,0,0,0|1,0,1]=4 326 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,0,1,0,0,0|0,0,1]=3 327 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [1,0,1,0,0,0|1,0,1]=4 328 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,0,1,0,0,0|1,0,1]=4 329 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,1,0,0,0|1,0,1]=4 330 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,1,0,0,0|1,0,1]=4 331 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,1,0,0,0|1,0,1]=4 332 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,1,0,0,0|0,0,1]=3 333 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,1,0,0,0|0,0,1]=3 334 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [1,0,1,0,0,0|1,0,1]=4 335 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [1,0,1,0,0,0|1,0,1]=4 336 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [1,0,1,0,0,0|1,0,1]=4 337 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,1,0,0,0|0,1,1]=4 338 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,1,0,0,0|0,1,1]=4 339 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,1,0,0,0|1,0,1]=4 340 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,1,0,0,0|1,0,1]=4 341 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,1,0,0,0|1,0,1]=4 342 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,1,0,0,0|1,0,1]=4 343 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,1,0,0,0|1,0,1]=4 344 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,1,0,0,0|1,0,1]=4 345 B10R1.35 C=Cc1cc(sc1C)C=O 271570a_100011290941_100000708457 [1,0,1,0,0,0|0,1,1]=4 346 B10R1.35 C=Cc1sc(cc1C)C=O 271570a_100011290941_100000761930 [1,0,1,0,0,0|0,1,1]=4 347 B10R1.96 C=C=Cc1ccc(o1)C=O 271570a_100015277604_100000185145 [1,0,1,0,0,0|0,0,1]=3 348 B10R1.96 C=C=Cc1ccc(s1)C=O 271570a_100015277604_100000179771 [1,0,1,0,0,0|0,1,1]=4 349 B10R1.96 C=C=Cc1coc(c1)C=O 271570a_100015277604_100000747035 [1,0,1,0,0,0|0,0,1]=3 350 B10R1.96 C=C=Cc1csc(c1)C=O 271570a_100015277604_100000211722 [1,0,1,0,0,0|0,1,1]=4 351 B10R1.96 CC=Cc1ccc(o1)C=O 271570a_100016259895_100000185145 [1,0,1,0,0,0|0,0,1]=3 352 B10R1.96 CC=Cc1ccc(s1)C=O 271570a_100016259895_100000179771 [1,0,1,0,0,0|0,1,1]=4 353 B10R1.96 CC=Cc1coc(c1)C=O 271570a_100016259895_100000747035 [1,0,1,0,0,0|0,0,1]=3 354 B10R1.96 CC=Cc1csc(c1)C=O 271570a_100016259895_100000211722 [1,0,1,0,0,0|0,1,1]=4 355 B12R1.25 Cc1c(cccc1OCC=O)Br 34a_100012002258_200009817547 [0,1,1,0,0,0|0,0,2]=4 356 B12R1.25 Cc1c(cccc1OCC=O)Br 7a_100012002258_200015260668 [0,1,1,0,0,0|0,0,2]=4 357 B12R1.25 Cc1c(cccc1OCC=O)Cl 34a_100011265684_200009817547 [0,1,1,0,0,0|0,0,2]=4 358 B12R1.25 Cc1c(cccc1OCC=O)Cl 7a_100011265684_200015260668 [0,1,1,0,0,0|0,0,2]=4 359 B12R1.25 Cc1c(cccc1OCC=O)F 34a_100011217231_200009817547 [0,1,1,0,0,0|0,0,2]=4 360 B12R1.25 Cc1c(cccc1OCC=O)F 7a_100011217231_200015260668 [0,1,1,0,0,0|0,0,2]=4 361 B12R1.25 Cc1c(cccc1OCC=O)N 34a_100011216573_200009817547 [0,1,1,0,0,0|0,0,2]=4 362 B12R1.25 Cc1c(cccc1OCC=O)N 7a_100011216573_200015260668 [0,1,1,0,0,0|0,0,2]=4 363 B12R1.25 Cc1cccc(c1Br)OCC=O 34a_100000686692_200009817547 [0,1,1,0,0,0|1,0,1]=4 364 B12R1.25 Cc1cccc(c1Br)OCC=O 7a_100000686692_200015260668 [0,1,1,0,0,0|1,0,1]=4 365 B12R1.25 Cc1cccc(c1C)OCC=O 34a_100000185855_200009817547 [0,1,1,0,0,0|0,0,2]=4 366 B12R1.25 Cc1cccc(c1C)OCC=O 7a_100000185855_200015260668 [0,1,1,0,0,0|0,0,2]=4 367 B12R1.25 Cc1cccc(c1Cl)OCC=O 34a_100000695629_200009817547 [0,1,1,0,0,0|1,0,1]=4 368 B12R1.25 Cc1cccc(c1Cl)OCC=O 7a_100000695629_200015260668 [0,1,1,0,0,0|1,0,1]=4 369 B12R1.25 Cc1cccc(c1F)OCC=O 34a_100000751311_200009817547 [0,1,1,0,0,0|1,0,1]=4 370 B12R1.25 Cc1cccc(c1F)OCC=O 7a_100000751311_200015260668 [0,1,1,0,0,0|1,0,1]=4 371 B12R1.25 Cc1cccc(c1I)OCC=O 34a_100010083724_200009817547 [0,1,1,0,0,0|1,0,1]=4 372 B12R1.25 Cc1cccc(c1I)OCC=O 7a_100010083724_200015260668 [0,1,1,0,0,0|1,0,1]=4 373 B12R1.25 Cc1cccc(c1N)OCC=O 34a_100000743429_200009817547 [0,1,1,0,0,0|1,0,1]=4 374 B12R1.25 Cc1cccc(c1N)OCC=O 7a_100000743429_200015260668 [0,1,1,0,0,0|1,0,1]=4 375 B12R1.25 Cc1cccc(c1O)NCC=O 34a_100000756359_200009817547 [0,1,1,0,0,0|1,0,1]=4 376 B12R1.25 Cc1cccc(c1O)SCC=O 62a_100009817157_200015260668 [0,1,1,0,0,0|1,0,1]=4 377 B12R1.25 Cc1cccc(c1O)SCC=O 62a_200015260668_100009817157 [0,1,1,0,0,0|1,0,1]=4 378 B12R1.25 Nc1c(cccc1OCC=O)Br 34a_100011934926_200009817547 [0,1,1,0,0,0|1,0,1]=4 379 B12R1.25 Nc1c(cccc1OCC=O)Br 7a_100011934926_200015260668 [0,1,1,0,0,0|1,0,1]=4 380 B12R1.25 Nc1c(cccc1OCC=O)Cl 34a_100012022510_200009817547 [0,1,1,0,0,0|1,0,1]=4 381 B12R1.25 Nc1c(cccc1OCC=O)Cl 7a_100012022510_200015260668 [0,1,1,0,0,0|1,0,1]=4 382 B12R1.25 Nc1c(cccc1OCC=O)F 34a_100020591140_200009817547 [0,1,1,0,0,0|1,0,1]=4 383 B12R1.25 Nc1c(cccc1OCC=O)F 7a_100020591140_200015260668 [0,1,1,0,0,0|1,0,1]=4 384 B12R1.25 Nc1c(cccc1OCC=O)I 34a_200000049512_200009817547 [0,1,1,0,0,0|1,0,1]=4 385 B12R1.25 Nc1c(cccc1OCC=O)I 7a_200000049512_200015260668 [0,1,1,0,0,0|1,0,1]=4 386 B12R1.25 Nc1cccc(c1Br)OCC=O 34a_100012183704_200009817547 [0,1,1,0,0,0|1,0,1]=4 387 B12R1.25 Nc1cccc(c1Br)OCC=O 7a_100012183704_200015260668 [0,1,1,0,0,0|1,0,1]=4 388 B12R1.25 Nc1cccc(c1Cl)OCC=O 34a_100012002038_200009817547 [0,1,1,0,0,0|1,0,1]=4 389 B12R1.25 Nc1cccc(c1Cl)OCC=O 7a_100012002038_200015260668 [0,1,1,0,0,0|1,0,1]=4 390 B12R1.25 Nc1cccc(c1N)OCC=O 34a_100000033209_200009817547 [0,1,1,0,0,0|1,0,1]=4 391 B12R1.25 Nc1cccc(c1O)SCC=O 62a_100011934915_200015260668 [0,1,1,0,0,0|1,0,1]=4 392 B12R1.25 Nc1cccc(c1O)SCC=O 62a_200015260668_100010084371 [0,1,1,0,0,0|1,0,1]=4 393 B12R1.25 O=CCNc1cccc(c1O)Br 34a_100011934915_200009817547 [0,1,1,0,0,0|1,0,1]=4 394 B12R1.25 O=CCNc1cccc(c1O)Cl 34a_100000754742_200009817547 [0,1,1,0,0,0|1,0,1]=4 395 B12R1.25 O=CCNc1cccc(c1O)F 34a_100011934987_200009817547 [0,1,1,0,0,0|1,0,1]=4 396 B12R1.25 O=CCOc1cccc(c1Br)Br 34a_100010187966_200009817547 [0,1,1,0,0,0|1,0,1]=4 397 B12R1.25 O=CCOc1cccc(c1Br)Br 7a_100010187966_200015260668 [0,1,1,0,0,0|1,0,1]=4 398 B12R1.25 O=CCOc1cccc(c1Br)Cl 34a_100012348804_200009817547 [0,1,1,0,0,0|1,0,1]=4 399 B12R1.25 O=CCOc1cccc(c1Br)Cl 7a_100012348804_200015260668 [0,1,1,0,0,0|1,0,1]=4 400 B12R1.25 O=CCOc1cccc(c1Br)F 34a_100009820682_200009817547 [0,1,1,0,0,0|1,0,1]=4 401 B12R1.25 O=CCOc1cccc(c1Br)F 7a_100009820682_200015260668 [0,1,1,0,0,0|1,0,1]=4 402 B12R1.25 O=CCOc1cccc(c1Br)I 34a_100010187914_200009817547 [0,1,1,0,0,0|1,0,1]=4 403 B12R1.25 O=CCOc1cccc(c1Br)I 7a_100010187914_200015260668 [0,1,1,0,0,0|1,0,1]=4 404 B12R1.25 O=CCOc1cccc(c1Cl)Br 34a_100010187913_200009817547 [0,1,1,0,0,0|1,0,1]=4 405 B12R1.25 O=CCOc1cccc(c1Cl)Br 7a_100010187913_200015260668 [0,1,1,0,0,0|1,0,1]=4 406 B12R1.25 O=CCOc1cccc(c1Cl)Cl 34a_100000211076_200009817547 [0,1,1,0,0,0|1,0,1]=4 407 B12R1.25 O=CCOc1cccc(c1Cl)Cl 7a_100000211076_200015260668 [0,1,1,0,0,0|1,0,1]=4 408 B12R1.25 O=CCOc1cccc(c1Cl)F 34a_100000087408_200009817547 [0,1,1,0,0,0|1,0,1]=4 409 B12R1.25 O=CCOc1cccc(c1Cl)F 7a_100000087408_200015260668 [0,1,1,0,0,0|1,0,1]=4 410 B12R1.25 O=CCOc1cccc(c1Cl)I 34a_100000049636_200009817547 [0,1,1,0,0,0|1,0,1]=4 411 B12R1.25 O=CCOc1cccc(c1Cl)I 7a_100000049636_200015260668 [0,1,1,0,0,0|1,0,1]=4 412 B12R1.25 O=CCOc1cccc(c1F)Br 34a_100009817021_200009817547 [0,1,1,0,0,0|1,0,1]=4 413 B12R1.25 O=CCOc1cccc(c1F)Br 7a_100009817021_200015260668 [0,1,1,0,0,0|1,0,1]=4 414 B12R1.25 O=CCOc1cccc(c1F)Cl 34a_100000687438_200009817547 [0,1,1,0,0,0|1,0,1]=4 415 B12R1.25 O=CCOc1cccc(c1F)Cl 7a_100000687438_200015260668 [0,1,1,0,0,0|1,0,1]=4 416 B12R1.25 O=CCOc1cccc(c1F)F 34a_100000751161_200009817547 [0,1,1,0,0,0|1,0,1]=4 417 B12R1.25 O=CCOc1cccc(c1F)F 7a_100000751161_200015260668 [0,1,1,0,0,0|1,0,1]=4 418 B12R1.25 O=CCOc1cccc(c1I)Br 34a_100010187912_200009817547 [0,1,1,0,0,0|1,0,1]=4 419 B12R1.25 O=CCOc1cccc(c1I)Br 7a_100010187912_200015260668 [0,1,1,0,0,0|1,0,1]=4 420 B12R1.25 O=CCOc1cccc(c1I)Cl 34a_100000050174_200009817547 [0,1,1,0,0,0|1,0,1]=4 421 B12R1.25 O=CCOc1cccc(c1I)Cl 7a_100000050174_200015260668 [0,1,1,0,0,0|1,0,1]=4 422 B12R1.25 O=CCOc1cccc(c1I)F 34a_100000690913_200009817547 [0,1,1,0,0,0|1,0,1]=4 423 B12R1.25 O=CCOc1cccc(c1I)F 7a_100000690913_200015260668 [0,1,1,0,0,0|1,0,1]=4 424 B12R1.25 O=CCSc1cccc(c1O)Br 62a_100010084509_200015260668 [0,1,1,0,0,0|1,0,1]=4 425 B12R1.25 O=CCSc1cccc(c1O)Br 62a_200015260668_100010084509 [0,1,1,0,0,0|1,0,1]=4 426 B12R1.25 O=CCSc1cccc(c1O)Cl 62a_100010202889_200015260668 [0,1,1,0,0,0|1,0,1]=4 427 B12R1.25 O=CCSc1cccc(c1O)Cl 62a_200015260668_100010202889 [0,1,1,0,0,0|1,0,1]=4 428 B12R1.25 O=CCSc1cccc(c1O)F 62a_100009813666_200015260668 [0,1,1,0,0,0|1,0,1]=4 429 B12R1.25 O=CCSc1cccc(c1O)F 62a_200015260668_100009813666 [0,1,1,0,0,0|1,0,1]=4 430 B12R1.25 O=CCSc1cccc(c1O)O 62a_200015260668_100009815950 [0,1,1,0,0,0|1,0,1]=4 431 B12R1.69 Cc1cc(ccc1OCC=O)Br 34a_100000186361_200009817547 [0,1,1,0,0,0|0,0,2]=4 432 B12R1.69 Cc1cc(ccc1OCC=O)Br 7a_100000186361_200015260668 [0,1,1,0,0,0|0,0,2]=4 433 B12R1.69 Cc1cc(ccc1OCC=O)Cl 34a_100000211091_200009817547 [0,1,1,0,0,0|0,0,2]=4 434 B12R1.69 Cc1cc(ccc1OCC=O)Cl 7a_100000211091_200015260668 [0,1,1,0,0,0|0,0,2]=4 435 B12R1.69 Cc1cc(ccc1OCC=O)F 34a_100000764316_200009817547 [0,1,1,0,0,0|0,0,2]=4 436 B12R1.69 Cc1cc(ccc1OCC=O)F 7a_100000764316_200015260668 [0,1,1,0,0,0|0,0,2]=4 437 B12R1.69 Cc1cc(ccc1OCC=O)I 34a_100011218673_200009817547 [0,1,1,0,0,0|0,0,2]=4 438 B12R1.69 Cc1cc(ccc1OCC=O)I 7a_100011218673_200015260668 [0,1,1,0,0,0|0,0,2]=4 439 B12R1.69 Cc1cc(ccc1OCC=O)N 34a_100011218179_200009817547 [0,1,1,0,0,0|0,0,2]=4 440 B12R1.69 Cc1cc(ccc1OCC=O)N 7a_100011218179_200015260668 [0,1,1,0,0,0|0,0,2]=4 441 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 34a_100000210800_200009817547 [0,1,1,0,0,0|1,0,1]=4 442 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 7a_100000210800_200015260668 [0,1,1,0,0,0|1,0,1]=4 443 B12R1.69 Cc1ccc(c(c1)C)OCC=O 34a_100000211776_200009817547 [0,1,1,0,0,0|0,0,2]=4 444 B12R1.69 Cc1ccc(c(c1)C)OCC=O 7a_100000211776_200015260668 [0,1,1,0,0,0|0,0,2]=4 445 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 34a_100000749699_200009817547 [0,1,1,0,0,0|1,0,1]=4 446 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 7a_100000749699_200015260668 [0,1,1,0,0,0|1,0,1]=4 447 B12R1.69 Cc1ccc(c(c1)F)OCC=O 34a_100011216688_200009817547 [0,1,1,0,0,0|1,0,1]=4 448 B12R1.69 Cc1ccc(c(c1)F)OCC=O 7a_100011216688_200015260668 [0,1,1,0,0,0|1,0,1]=4 449 B12R1.69 Cc1ccc(c(c1)I)OCC=O 34a_100000765521_200009817547 [0,1,1,0,0,0|1,0,1]=4 450 B12R1.69 Cc1ccc(c(c1)I)OCC=O 7a_100000765521_200015260668 [0,1,1,0,0,0|1,0,1]=4 451 B12R1.69 Cc1ccc(c(c1)N)OCC=O 34a_100011215204_200009817547 [0,1,1,0,0,0|1,0,1]=4 452 B12R1.69 Cc1ccc(c(c1)N)OCC=O 7a_100011215204_200015260668 [0,1,1,0,0,0|1,0,1]=4 453 B12R1.69 Cc1ccc(c(c1)O)NCC=O 34a_100000211527_200009817547 [0,1,1,0,0,0|1,0,1]=4 454 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_100012002257_200015260668 [0,1,1,0,0,0|1,0,1]=4 455 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_200015260668_100012002257 [0,1,1,0,0,0|1,0,1]=4 456 B12R1.69 Nc1cc(ccc1OCC=O)Br 34a_100000752626_200009817547 [0,1,1,0,0,0|1,0,1]=4 457 B12R1.69 Nc1cc(ccc1OCC=O)Br 7a_100000752626_200015260668 [0,1,1,0,0,0|1,0,1]=4 458 B12R1.69 Nc1cc(ccc1OCC=O)Cl 34a_100000210500_200009817547 [0,1,1,0,0,0|1,0,1]=4 459 B12R1.69 Nc1cc(ccc1OCC=O)Cl 7a_100000210500_200015260668 [0,1,1,0,0,0|1,0,1]=4 460 B12R1.69 Nc1cc(ccc1OCC=O)F 34a_100000759472_200009817547 [0,1,1,0,0,0|1,0,1]=4 461 B12R1.69 Nc1cc(ccc1OCC=O)F 7a_100000759472_200015260668 [0,1,1,0,0,0|1,0,1]=4 462 B12R1.69 Nc1cc(ccc1OCC=O)I 34a_100000753495_200009817547 [0,1,1,0,0,0|1,0,1]=4 463 B12R1.69 Nc1cc(ccc1OCC=O)I 7a_100000753495_200015260668 [0,1,1,0,0,0|1,0,1]=4 464 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 34a_100011534360_200009817547 [0,1,1,0,0,0|1,0,1]=4 465 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 7a_100011534360_200015260668 [0,1,1,0,0,0|1,0,1]=4 466 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 34a_100000744943_200009817547 [0,1,1,0,0,0|1,0,1]=4 467 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 7a_100000744943_200015260668 [0,1,1,0,0,0|1,0,1]=4 468 B12R1.69 Nc1ccc(c(c1)F)OCC=O 34a_100011220035_200009817547 [0,1,1,0,0,0|1,0,1]=4 469 B12R1.69 Nc1ccc(c(c1)F)OCC=O 7a_100011220035_200015260668 [0,1,1,0,0,0|1,0,1]=4 470 B12R1.69 Nc1ccc(c(c1)N)OCC=O 34a_100000725306_200009817547 [0,1,1,0,0,0|1,0,1]=4 471 B12R1.69 O=CCNc1ccc(cc1O)Br 34a_100000739049_200009817547 [0,1,1,0,0,0|1,0,1]=4 472 B12R1.69 O=CCNc1ccc(cc1O)Cl 34a_100000185728_200009817547 [0,1,1,0,0,0|1,0,1]=4 473 B12R1.69 O=CCNc1ccc(cc1O)F 34a_100000753323_200009817547 [0,1,1,0,0,0|1,0,1]=4 474 B12R1.69 O=CCNc1ccc(cc1O)O 34a_100000106777_200009817547 [0,1,1,0,0,0|1,0,1]=4 475 B12R1.69 O=CCOc1ccc(cc1Br)Br 34a_100000188717_200009817547 [0,1,1,0,0,0|1,0,1]=4 476 B12R1.69 O=CCOc1ccc(cc1Br)Br 7a_100000188717_200015260668 [0,1,1,0,0,0|1,0,1]=4 477 B12R1.69 O=CCOc1ccc(cc1Br)Cl 34a_100000211998_200009817547 [0,1,1,0,0,0|1,0,1]=4 478 B12R1.69 O=CCOc1ccc(cc1Br)Cl 7a_100000211998_200015260668 [0,1,1,0,0,0|1,0,1]=4 479 B12R1.69 O=CCOc1ccc(cc1Br)F 34a_100000211999_200009817547 [0,1,1,0,0,0|1,0,1]=4 480 B12R1.69 O=CCOc1ccc(cc1Br)F 7a_100000211999_200015260668 [0,1,1,0,0,0|1,0,1]=4 481 B12R1.69 O=CCOc1ccc(cc1Br)I 34a_100012361655_200009817547 [0,1,1,0,0,0|1,0,1]=4 482 B12R1.69 O=CCOc1ccc(cc1Br)I 7a_100012361655_200015260668 [0,1,1,0,0,0|1,0,1]=4 483 B12R1.69 O=CCOc1ccc(cc1Cl)Br 34a_100000186472_200009817547 [0,1,1,0,0,0|1,0,1]=4 484 B12R1.69 O=CCOc1ccc(cc1Cl)Br 7a_100000186472_200015260668 [0,1,1,0,0,0|1,0,1]=4 485 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 34a_100015191787_200009817547 [0,1,1,0,0,0|1,0,1]=4 486 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 7a_100015191787_200015260668 [0,1,1,0,0,0|1,0,1]=4 487 B12R1.69 O=CCOc1ccc(cc1Cl)F 34a_100000212004_200009817547 [0,1,1,0,0,0|1,0,1]=4 488 B12R1.69 O=CCOc1ccc(cc1Cl)F 7a_100000212004_200015260668 [0,1,1,0,0,0|1,0,1]=4 489 B12R1.69 O=CCOc1ccc(cc1Cl)I 34a_100012360047_200009817547 [0,1,1,0,0,0|1,0,1]=4 490 B12R1.69 O=CCOc1ccc(cc1Cl)I 7a_100012360047_200015260668 [0,1,1,0,0,0|1,0,1]=4 491 B12R1.69 O=CCOc1ccc(cc1F)Br 34a_100000185481_200009817547 [0,1,1,0,0,0|1,0,1]=4 492 B12R1.69 O=CCOc1ccc(cc1F)Br 7a_100000185481_200015260668 [0,1,1,0,0,0|1,0,1]=4 493 B12R1.69 O=CCOc1ccc(cc1F)Cl 34a_100000230166_200009817547 [0,1,1,0,0,0|1,0,1]=4 494 B12R1.69 O=CCOc1ccc(cc1F)Cl 7a_100000230166_200015260668 [0,1,1,0,0,0|1,0,1]=4 495 B12R1.69 O=CCOc1ccc(cc1F)F 34a_100000230127_200009817547 [0,1,1,0,0,0|1,0,1]=4 496 B12R1.69 O=CCOc1ccc(cc1F)F 7a_100000230127_200015260668 [0,1,1,0,0,0|1,0,1]=4 497 B12R1.69 O=CCOc1ccc(cc1F)I 34a_100011356965_200009817547 [0,1,1,0,0,0|1,0,1]=4 498 B12R1.69 O=CCOc1ccc(cc1F)I 7a_100011356965_200015260668 [0,1,1,0,0,0|1,0,1]=4 499 B12R1.69 O=CCOc1ccc(cc1I)Br 34a_100012355227_200009817547 [0,1,1,0,0,0|1,0,1]=4 500 B12R1.69 O=CCOc1ccc(cc1I)Br 7a_100012355227_200015260668 [0,1,1,0,0,0|1,0,1]=4 501 B12R1.69 O=CCOc1ccc(cc1I)Cl 34a_100011356953_200009817547 [0,1,1,0,0,0|1,0,1]=4 502 B12R1.69 O=CCOc1ccc(cc1I)Cl 7a_100011356953_200015260668 [0,1,1,0,0,0|1,0,1]=4 503 B12R1.69 O=CCOc1ccc(cc1I)F 34a_100012355409_200009817547 [0,1,1,0,0,0|1,0,1]=4 504 B12R1.69 O=CCOc1ccc(cc1I)F 7a_100012355409_200015260668 [0,1,1,0,0,0|1,0,1]=4 505 B12R1.69 O=CCOc1ccc(cc1I)I 7a_100010001573_200015260668 [0,1,1,0,0,0|1,0,1]=4 506 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_100012344904_200015260668 [0,1,1,0,0,0|1,0,1]=4 507 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_200015260668_100012344904 [0,1,1,0,0,0|1,0,1]=4 508 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_100000050036_200015260668 [0,1,1,0,0,0|1,0,1]=4 509 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_200015260668_100000050036 [0,1,1,0,0,0|1,0,1]=4 510 B12R1.69 O=CCSc1ccc(cc1O)F 62a_100000690578_200015260668 [0,1,1,0,0,0|1,0,1]=4 511 B12R1.69 O=CCSc1ccc(cc1O)F 62a_200015260668_100000690578 [0,1,1,0,0,0|1,0,1]=4 512 B12R1.69 O=CCSc1ccc(cc1O)O 62a_200015260668_100009813921 [0,1,1,0,0,0|1,0,1]=4 513 B12R1.121 C#Cc1ccccc1OCC=O 34a_200011470546_200009817547 [0,1,1,0,0,0|0,0,2]=4 514 B12R1.121 C#Cc1ccccc1OCC=O 7a_200011470546_200015260668 [0,1,1,0,0,0|0,0,2]=4 515 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [0,1,1,0,0,0|1,0,1]=4 516 B12R1.121 C=Cc1ccccc1NCC=O 34a_100012022501_200009817547 [0,1,1,0,0,0|1,0,1]=4 517 B12R1.121 C=Cc1ccccc1SCC=O 62a_100011218376_200015260668 [0,1,1,0,0,0|0,1,1]=4 518 B12R1.121 C=Cc1ccccc1SCC=O 62a_200015260668_100011218376 [0,1,1,0,0,0|0,1,1]=4 519 B12R1.121 CCc1ccccc1OCC=O 34a_100000210936_200009817547 [0,1,1,0,0,0|0,0,2]=4 520 B12R1.121 CCc1ccccc1OCC=O 7a_100000210936_200015260668 [0,1,1,0,0,0|0,0,2]=4 521 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [0,1,1,0,0,0|0,0,2]=4 522 B12R1.121 COc1ccccc1NCC=O 34a_100000210025_200009817547 [0,1,1,0,0,0|1,0,1]=4 523 B12R1.121 COc1ccccc1OCC=O 34a_100000210385_200009817547 [0,1,1,0,0,0|0,0,2]=4 524 B12R1.121 COc1ccccc1SCC=O 62a_100000210334_200015260668 [0,1,1,0,0,0|1,0,1]=4 525 B12R1.121 COc1ccccc1SCC=O 62a_200015260668_100000210334 [0,1,1,0,0,0|1,0,1]=4 526 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200000210301_200016268969 [0,1,1,0,0,0|0,1,0]=3 527 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200016268969_200000210301 [0,1,1,0,0,0|0,1,0]=3 528 B12R1.121 CSc1ccccc1OCC=O 34a_100011216402_200009817547 [0,1,1,0,0,0|0,0,2]=4 529 B12R1.121 N#Cc1ccccc1OCC=O 34a_100000211048_200009817547 [0,1,1,0,0,0|0,0,2]=4 530 B12R1.121 N#Cc1ccccc1OCC=O 7a_100000211048_200015260668 [0,1,1,0,0,0|0,0,2]=4 531 B12R1.121 NCc1ccccc1OCC=O 34a_100000185550_200009817547 [0,1,1,0,0,0|0,0,2]=4 532 B12R1.121 O=CCNc1ccccc1CO 34a_100000212039_200009817547 [0,1,1,0,0,0|1,0,1]=4 533 B12R1.121 O=CCOc1ccccc1CO 34a_100011216872_200009817547 [0,1,1,0,0,0|0,0,2]=4 534 B12R1.121 O=CCSc1ccccc1C=O 62a_100000210073_200015260668 [0,1,1,0,0,0|0,1,1]=4 535 B12R1.121 O=CCSc1ccccc1C=O 62a_200015260668_100000210073 [0,1,1,0,0,0|0,1,1]=4 536 B12R1.121 O=CCSc1ccccc1CO 62a_100000187465_200015260668 [0,1,1,0,0,0|1,0,1]=4 537 B12R1.121 O=CCSc1ccccc1CO 62a_200015260668_100000187465 [0,1,1,0,0,0|1,0,1]=4 538 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200016268969_200025704644 [0,1,1,0,0,0|0,1,0]=3 539 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200025704644_200016268969 [0,1,1,0,0,0|0,1,0]=3 540 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,1,1,0,0,0|1,0,0]=3 541 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,1,1,0,0,0|1,0,0]=3 542 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,1,1,0,0,0|1,0,0]=3 543 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,1,1,0,0,0|0,0,0]=2 544 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,1,1,0,0,0|0,0,2]=4 545 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,1,1,0,0,0|0,0,2]=4 546 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,1,1,0,0,0|1,0,1]=4 547 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,1,1,0,0,0|0,0,2]=4 548 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,1,1,0,0,0|1,0,1]=4 549 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,1,1,0,0,0|1,0,1]=4 550 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,1,1,0,0,0|1,0,1]=4 551 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,1,1,0,0,0|1,0,1]=4 552 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,1,1,0,0,0|1,0,1]=4 553 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,1,1,0,0,0|1,0,1]=4 554 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,1,1,0,0,0|1,0,1]=4 555 B12R1.125 CC(C)C=Cc1ccccc1O 271570a_100016257149_100000739446 [0,1,1,0,0,0|1,0,1]=4 556 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [0,1,1,0,0,0|0,0,2]=4 557 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,1,1,0,0,0|0,0,2]=4 558 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,1,1,0,0,0|0,0,2]=4 559 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,1,1,0,0,0|0,0,2]=4 560 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,1,1,0,0,0|0,0,2]=4 561 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,1,1,0,0,0|0,0,2]=4 562 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,1,1,0,0,0|1,0,1]=4 563 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,1,1,0,0,0|1,0,1]=4 564 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,1,1,0,0,0|1,0,1]=4 565 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,1,1,0,0,0|1,0,1]=4 566 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,1,1,0,0,0|1,0,1]=4 567 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,1,1,0,0,0|1,0,1]=4 568 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,1,1,0,0,0|1,0,1]=4 569 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,1,1,0,0,0|1,0,1]=4 570 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,1,1,0,0,0|1,0,1]=4 571 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,1,1,0,0,0|1,0,1]=4 572 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,1,1,0,0,0|1,0,1]=4 573 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,1,1,0,0,0|1,0,1]=4 574 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,1,1,0,0,0|1,0,1]=4 575 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,1,1,0,0,0|1,0,1]=4 576 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,1,1,0,0,0|1,0,1]=4 577 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,1,1,0,0,0|1,0,1]=4 578 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,1,1,0,0,0|1,0,1]=4 579 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,1,1,0,0,0|1,0,1]=4 580 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,1,1,0,0,0|1,0,1]=4 581 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,1,1,0,0,0|1,0,1]=4 582 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,1,1,0,0,0|1,0,1]=4 583 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,1,1,0,0,0|1,0,1]=4 584 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,1,1,0,0,0|1,0,0]=3 585 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,1,1,0,0,0|1,0,0]=3 586 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,1,1,0,0,0|1,0,0]=3 587 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,1,1,0,0,0|0,0,0]=2 588 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,1,1,0,0,0|0,0,2]=4 589 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,1,1,0,0,0|1,0,1]=4 590 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,1,1,0,0,0|1,0,1]=4 591 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,1,1,0,0,0|1,0,1]=4 592 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,1,1,0,0,0|1,0,1]=4 593 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,1,1,0,0,0|1,0,1]=4 594 B12R1.267 C/C=C/CNc1ccccc1O 34a_100000185747_100102629194 [0,1,1,0,0,0|1,0,1]=4 595 B12R1.267 C/C=C/COc1ccccc1Br 34a_100000181306_100102629194 [0,1,1,0,0,0|2,0,0]=4 596 B12R1.267 C/C=C/COc1ccccc1Br 7a_100000181306_100102629194 [0,1,1,0,0,0|2,0,0]=4 597 B12R1.267 C/C=C/COc1ccccc1C 34a_100000210338_100102629194 [0,1,1,0,0,0|1,0,1]=4 598 B12R1.267 C/C=C/COc1ccccc1C 7a_100000210338_100102629194 [0,1,1,0,0,0|1,0,1]=4 599 B12R1.267 C/C=C/COc1ccccc1Cl 34a_100000210172_100102629194 [0,1,1,0,0,0|2,0,0]=4 600 B12R1.267 C/C=C/COc1ccccc1Cl 7a_100000210172_100102629194 [0,1,1,0,0,0|2,0,0]=4 601 B12R1.267 C/C=C/COc1ccccc1F 34a_100000210171_100102629194 [0,1,1,0,0,0|2,0,0]=4 602 B12R1.267 C/C=C/COc1ccccc1F 7a_100000210171_100102629194 [0,1,1,0,0,0|2,0,0]=4 603 B12R1.267 C/C=C/COc1ccccc1I 34a_100000739446_100102629194 [0,1,1,0,0,0|2,0,0]=4 604 B12R1.267 C/C=C/COc1ccccc1I 7a_100000739446_100102629194 [0,1,1,0,0,0|2,0,0]=4 605 B12R1.267 C/C=C/COc1ccccc1N 34a_100000185747_100102629194 [0,1,1,0,0,0|2,0,0]=4 606 B12R1.267 C/C=C/COc1ccccc1N 7a_100000185747_100102629194 [0,1,1,0,0,0|2,0,0]=4 607 B12R1.267 C/C=C/CSc1ccccc1O 62a_100000739446_100102629194 [0,1,1,0,0,0|1,0,1]=4 608 B12R1.267 C/C=C/CSc1ccccc1O 62a_100102629194_100000739446 [0,1,1,0,0,0|1,0,1]=4 609 B12R1.267 CC=CCNc1ccccc1O 34a_100000185747_100000070051 [0,1,1,0,0,0|1,0,1]=4 610 B12R1.267 CC=CCOc1ccccc1Br 34a_100000181306_100000070051 [0,1,1,0,0,0|2,0,0]=4 611 B12R1.267 CC=CCOc1ccccc1Br 7a_100000181306_100000070051 [0,1,1,0,0,0|2,0,0]=4 612 B12R1.267 CC=CCOc1ccccc1C 34a_100000210338_100000070051 [0,1,1,0,0,0|1,0,1]=4 613 B12R1.267 CC=CCOc1ccccc1C 7a_100000210338_100000070051 [0,1,1,0,0,0|1,0,1]=4 614 B12R1.267 CC=CCOc1ccccc1Cl 34a_100000210172_100000070051 [0,1,1,0,0,0|2,0,0]=4 615 B12R1.267 CC=CCOc1ccccc1Cl 7a_100000210172_100000070051 [0,1,1,0,0,0|2,0,0]=4 616 B12R1.267 CC=CCOc1ccccc1F 34a_100000210171_100000070051 [0,1,1,0,0,0|2,0,0]=4 617 B12R1.267 CC=CCOc1ccccc1F 7a_100000210171_100000070051 [0,1,1,0,0,0|2,0,0]=4 618 B12R1.267 CC=CCOc1ccccc1I 34a_100000739446_100000070051 [0,1,1,0,0,0|2,0,0]=4 619 B12R1.267 CC=CCOc1ccccc1I 7a_100000739446_100000070051 [0,1,1,0,0,0|2,0,0]=4 620 B12R1.267 CC=CCOc1ccccc1N 34a_100000185747_100000070051 [0,1,1,0,0,0|2,0,0]=4 621 B12R1.267 CC=CCOc1ccccc1N 7a_100000185747_100000070051 [0,1,1,0,0,0|2,0,0]=4 622 B12R1.267 CC=CCSc1ccccc1O 62a_100000070051_100000739446 [0,1,1,0,0,0|1,0,1]=4 623 B12R1.267 CC=CCSc1ccccc1O 62a_100000739446_100000070051 [0,1,1,0,0,0|1,0,1]=4 624 B12R1.267 CCCC=Cc1ccccc1O 271570a_100016258520_100000739446 [0,1,1,0,0,0|1,0,1]=4 625 B12R1.267 CCOC=Cc1ccccc1O 271570a_100016256518_100000739446 [0,1,1,0,0,0|1,0,1]=4 626 B12R1.267 COCC=Cc1ccccc1O 271570a_100016286323_100000739446 [0,1,1,0,0,0|0,0,2]=4 627 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [0,1,1,0,0,0|0,0,2]=4 628 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [0,1,1,0,0,0|0,0,2]=4 629 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [0,1,1,0,0,0|1,0,1]=4 630 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [0,1,1,0,0,0|0,0,2]=4 631 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [0,1,1,0,0,0|1,0,1]=4 632 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [0,1,1,0,0,0|1,0,1]=4 633 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [0,1,1,0,0,0|1,0,1]=4 634 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [0,1,1,0,0,0|1,0,1]=4 635 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [0,1,1,0,0,0|1,0,1]=4 636 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [0,1,1,0,0,0|1,0,1]=4 637 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [0,1,1,0,0,0|1,0,1]=4 638 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [0,1,1,0,0,0|1,0,1]=4 639 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,1,1,0,0,0|1,0,1]=4 640 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [0,1,1,0,0,0|1,0,1]=4 641 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,1,1,0,0,0|2,0,0]=4 642 B12R1.374 Cc1ccc(c(c1)NCC=O)O 34a_100011215204_200009817547 [0,1,1,0,0,0|1,0,1]=4 643 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 34a_100012002257_200009817547 [0,1,1,0,0,0|1,0,1]=4 644 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 7a_100012002257_200015260668 [0,1,1,0,0,0|1,0,1]=4 645 B12R1.374 Cc1ccc(c(c1)OCC=O)C 34a_100000210931_200009817547 [0,1,1,0,0,0|0,0,2]=4 646 B12R1.374 Cc1ccc(c(c1)OCC=O)C 7a_100000210931_200015260668 [0,1,1,0,0,0|0,0,2]=4 647 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 34a_100000211493_200009817547 [0,1,1,0,0,0|1,0,1]=4 648 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 7a_100000211493_200015260668 [0,1,1,0,0,0|1,0,1]=4 649 B12R1.374 Cc1ccc(c(c1)OCC=O)F 34a_100000759540_200009817547 [0,1,1,0,0,0|1,0,1]=4 650 B12R1.374 Cc1ccc(c(c1)OCC=O)F 7a_100000759540_200015260668 [0,1,1,0,0,0|1,0,1]=4 651 B12R1.374 Cc1ccc(c(c1)OCC=O)N 34a_100000211527_200009817547 [0,1,1,0,0,0|1,0,1]=4 652 B12R1.374 Cc1ccc(c(c1)OCC=O)N 7a_100000211527_200015260668 [0,1,1,0,0,0|1,0,1]=4 653 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_100000765521_200015260668 [0,1,1,0,0,0|1,0,1]=4 654 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_200015260668_100000765521 [0,1,1,0,0,0|1,0,1]=4 655 B12R1.374 Cc1ccc(cc1OCC=O)Br 34a_100000685420_200009817547 [0,1,1,0,0,0|0,0,2]=4 656 B12R1.374 Cc1ccc(cc1OCC=O)Br 7a_100000685420_200015260668 [0,1,1,0,0,0|0,0,2]=4 657 B12R1.374 Cc1ccc(cc1OCC=O)Cl 34a_100000756515_200009817547 [0,1,1,0,0,0|0,0,2]=4 658 B12R1.374 Cc1ccc(cc1OCC=O)Cl 7a_100000756515_200015260668 [0,1,1,0,0,0|0,0,2]=4 659 B12R1.374 Cc1ccc(cc1OCC=O)F 34a_100000690566_200009817547 [0,1,1,0,0,0|0,0,2]=4 660 B12R1.374 Cc1ccc(cc1OCC=O)F 7a_100000690566_200015260668 [0,1,1,0,0,0|0,0,2]=4 661 B12R1.374 Cc1ccc(cc1OCC=O)I 7a_100000766334_200015260668 [0,1,1,0,0,0|0,0,2]=4 662 B12R1.374 Cc1ccc(cc1OCC=O)N 34a_100000759471_200009817547 [0,1,1,0,0,0|0,0,2]=4 663 B12R1.374 Cc1ccc(cc1OCC=O)N 7a_100000759471_200015260668 [0,1,1,0,0,0|0,0,2]=4 664 B12R1.374 Nc1ccc(c(c1)OCC=O)Cl 34a_100011934209_200009817547 [0,1,1,0,0,0|1,0,1]=4 665 B12R1.374 Nc1ccc(c(c1)OCC=O)F 34a_100012017398_200009817547 [0,1,1,0,0,0|1,0,1]=4 666 B12R1.374 Nc1ccc(c(c1)OCC=O)F 7a_100012017398_200015260668 [0,1,1,0,0,0|1,0,1]=4 667 B12R1.374 Nc1ccc(c(c1)OCC=O)N 34a_100025717382_200009817547 [0,1,1,0,0,0|1,0,1]=4 668 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_100011534360_200015260668 [0,1,1,0,0,0|1,0,1]=4 669 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_200015260668_100011534360 [0,1,1,0,0,0|1,0,1]=4 670 B12R1.374 Nc1ccc(cc1OCC=O)Br 34a_100000739049_200009817547 [0,1,1,0,0,0|1,0,1]=4 671 B12R1.374 Nc1ccc(cc1OCC=O)Br 7a_100000739049_200015260668 [0,1,1,0,0,0|1,0,1]=4 672 B12R1.374 Nc1ccc(cc1OCC=O)Cl 34a_100000185728_200009817547 [0,1,1,0,0,0|1,0,1]=4 673 B12R1.374 Nc1ccc(cc1OCC=O)Cl 7a_100000185728_200015260668 [0,1,1,0,0,0|1,0,1]=4 674 B12R1.374 Nc1ccc(cc1OCC=O)F 34a_100000753323_200009817547 [0,1,1,0,0,0|1,0,1]=4 675 B12R1.374 Nc1ccc(cc1OCC=O)F 7a_100000753323_200015260668 [0,1,1,0,0,0|1,0,1]=4 676 B12R1.374 Nc1ccc(cc1OCC=O)I 34a_100000057187_200009817547 [0,1,1,0,0,0|1,0,1]=4 677 B12R1.374 Nc1ccc(cc1OCC=O)I 7a_100000057187_200015260668 [0,1,1,0,0,0|1,0,1]=4 678 B12R1.374 O=CCNc1cc(ccc1O)Br 34a_100000752626_200009817547 [0,1,1,0,0,0|1,0,1]=4 679 B12R1.374 O=CCNc1cc(ccc1O)Cl 34a_100000210500_200009817547 [0,1,1,0,0,0|1,0,1]=4 680 B12R1.374 O=CCNc1cc(ccc1O)F 34a_100000759472_200009817547 [0,1,1,0,0,0|1,0,1]=4 681 B12R1.374 O=CCOc1cc(ccc1Br)Br 34a_100011220040_200009817547 [0,1,1,0,0,0|1,0,1]=4 682 B12R1.374 O=CCOc1cc(ccc1Br)Br 7a_100011220040_200015260668 [0,1,1,0,0,0|1,0,1]=4 683 B12R1.374 O=CCOc1cc(ccc1Br)Cl 34a_100012339455_200009817547 [0,1,1,0,0,0|1,0,1]=4 684 B12R1.374 O=CCOc1cc(ccc1Br)Cl 7a_100012339455_200015260668 [0,1,1,0,0,0|1,0,1]=4 685 B12R1.374 O=CCOc1cc(ccc1Br)F 34a_100000690578_200009817547 [0,1,1,0,0,0|1,0,1]=4 686 B12R1.374 O=CCOc1cc(ccc1Br)F 7a_100000690578_200015260668 [0,1,1,0,0,0|1,0,1]=4 687 B12R1.374 O=CCOc1cc(ccc1Br)I 34a_100012356990_200009817547 [0,1,1,0,0,0|1,0,1]=4 688 B12R1.374 O=CCOc1cc(ccc1Br)I 7a_100012356990_200015260668 [0,1,1,0,0,0|1,0,1]=4 689 B12R1.374 O=CCOc1cc(ccc1Cl)Br 34a_100000738945_200009817547 [0,1,1,0,0,0|1,0,1]=4 690 B12R1.374 O=CCOc1cc(ccc1Cl)Br 7a_100000738945_200015260668 [0,1,1,0,0,0|1,0,1]=4 691 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 34a_100000211422_200009817547 [0,1,1,0,0,0|1,0,1]=4 692 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 7a_100000211422_200015260668 [0,1,1,0,0,0|1,0,1]=4 693 B12R1.374 O=CCOc1cc(ccc1Cl)F 34a_100000692107_200009817547 [0,1,1,0,0,0|1,0,1]=4 694 B12R1.374 O=CCOc1cc(ccc1Cl)F 7a_100000692107_200015260668 [0,1,1,0,0,0|1,0,1]=4 695 B12R1.374 O=CCOc1cc(ccc1Cl)I 34a_100011356854_200009817547 [0,1,1,0,0,0|1,0,1]=4 696 B12R1.374 O=CCOc1cc(ccc1Cl)I 7a_100011356854_200015260668 [0,1,1,0,0,0|1,0,1]=4 697 B12R1.374 O=CCOc1cc(ccc1F)Br 34a_100000686035_200009817547 [0,1,1,0,0,0|1,0,1]=4 698 B12R1.374 O=CCOc1cc(ccc1F)Br 7a_100000686035_200015260668 [0,1,1,0,0,0|1,0,1]=4 699 B12R1.374 O=CCOc1cc(ccc1F)Cl 34a_100000757397_200009817547 [0,1,1,0,0,0|1,0,1]=4 700 B12R1.374 O=CCOc1cc(ccc1F)Cl 7a_100000757397_200015260668 [0,1,1,0,0,0|1,0,1]=4 701 B12R1.374 O=CCOc1cc(ccc1F)F 34a_100000752141_200009817547 [0,1,1,0,0,0|1,0,1]=4 702 B12R1.374 O=CCOc1cc(ccc1F)F 7a_100000752141_200015260668 [0,1,1,0,0,0|1,0,1]=4 703 B12R1.374 O=CCOc1cc(ccc1F)I 34a_100009958187_200009817547 [0,1,1,0,0,0|1,0,1]=4 704 B12R1.374 O=CCOc1cc(ccc1F)I 7a_100009958187_200015260668 [0,1,1,0,0,0|1,0,1]=4 705 B12R1.374 O=CCOc1cc(ccc1I)Br 34a_100012344904_200009817547 [0,1,1,0,0,0|1,0,1]=4 706 B12R1.374 O=CCOc1cc(ccc1I)Br 7a_100012344904_200015260668 [0,1,1,0,0,0|1,0,1]=4 707 B12R1.374 O=CCOc1cc(ccc1I)Cl 34a_100000050036_200009817547 [0,1,1,0,0,0|1,0,1]=4 708 B12R1.374 O=CCOc1cc(ccc1I)Cl 7a_100000050036_200015260668 [0,1,1,0,0,0|1,0,1]=4 709 B12R1.374 O=CCOc1cc(ccc1I)F 34a_100010084537_200009817547 [0,1,1,0,0,0|1,0,1]=4 710 B12R1.374 O=CCOc1cc(ccc1I)F 7a_100010084537_200015260668 [0,1,1,0,0,0|1,0,1]=4 711 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_100012355227_200015260668 [0,1,1,0,0,0|1,0,1]=4 712 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_200015260668_100012355227 [0,1,1,0,0,0|1,0,1]=4 713 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_100011356953_200015260668 [0,1,1,0,0,0|1,0,1]=4 714 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_200015260668_100011356953 [0,1,1,0,0,0|1,0,1]=4 715 B12R1.374 O=CCSc1cc(ccc1O)F 62a_100000211999_200015260668 [0,1,1,0,0,0|1,0,1]=4 716 B12R1.374 O=CCSc1cc(ccc1O)F 62a_200015260668_100000211999 [0,1,1,0,0,0|1,0,1]=4 717 B12R1.374 O=CCSc1cc(ccc1O)O 62a_200015260668_100009813629 [0,1,1,0,0,0|1,0,1]=4 718 B12R1.1631 Cc1cccc(c1NCC=O)O 34a_100000743429_200009817547 [0,1,1,0,0,0|1,0,1]=4 719 B12R1.1631 Cc1cccc(c1OCC=O)Br 34a_100009817157_200009817547 [0,1,1,0,0,0|0,0,2]=4 720 B12R1.1631 Cc1cccc(c1OCC=O)Br 7a_100009817157_200015260668 [0,1,1,0,0,0|0,0,2]=4 721 B12R1.1631 Cc1cccc(c1OCC=O)C 34a_100000210341_200009817547 [0,1,1,0,0,0|0,0,2]=4 722 B12R1.1631 Cc1cccc(c1OCC=O)C 7a_100000210341_200015260668 [0,1,1,0,0,0|0,0,2]=4 723 B12R1.1631 Cc1cccc(c1OCC=O)Cl 34a_100000033731_200009817547 [0,1,1,0,0,0|0,0,2]=4 724 B12R1.1631 Cc1cccc(c1OCC=O)Cl 7a_100000033731_200015260668 [0,1,1,0,0,0|0,0,2]=4 725 B12R1.1631 Cc1cccc(c1OCC=O)F 34a_100011659162_200009817547 [0,1,1,0,0,0|0,0,2]=4 726 B12R1.1631 Cc1cccc(c1OCC=O)F 7a_100011659162_200015260668 [0,1,1,0,0,0|0,0,2]=4 727 B12R1.1631 Cc1cccc(c1OCC=O)N 34a_100000756359_200009817547 [0,1,1,0,0,0|0,0,2]=4 728 B12R1.1631 Cc1cccc(c1OCC=O)N 7a_100000756359_200015260668 [0,1,1,0,0,0|0,0,2]=4 729 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_100000686692_200015260668 [0,1,1,0,0,0|1,0,1]=4 730 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_200015260668_100000686692 [0,1,1,0,0,0|1,0,1]=4 731 B12R1.1631 Nc1cccc(c1OCC=O)Br 34a_100011934915_200009817547 [0,1,1,0,0,0|1,0,1]=4 732 B12R1.1631 Nc1cccc(c1OCC=O)Cl 34a_100000754742_200009817547 [0,1,1,0,0,0|1,0,1]=4 733 B12R1.1631 Nc1cccc(c1OCC=O)F 34a_100011934987_200009817547 [0,1,1,0,0,0|1,0,1]=4 734 B12R1.1631 Nc1cccc(c1OCC=O)I 34a_100010084371_200009817547 [0,1,1,0,0,0|1,0,1]=4 735 B12R1.1631 Nc1cccc(c1OCC=O)N 34a_200016994477_200009817547 [0,1,1,0,0,0|1,0,1]=4 736 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_100012183704_200015260668 [0,1,1,0,0,0|1,0,1]=4 737 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_200015260668_100012183704 [0,1,1,0,0,0|1,0,1]=4 738 B12R1.1631 O=CCNc1c(cccc1Br)O 34a_100011934926_200009817547 [0,1,1,0,0,0|1,0,1]=4 739 B12R1.1631 O=CCNc1c(cccc1Cl)O 34a_100012022510_200009817547 [0,1,1,0,0,0|1,0,1]=4 740 B12R1.1631 O=CCNc1c(cccc1F)O 34a_100020591140_200009817547 [0,1,1,0,0,0|1,0,1]=4 741 B12R1.1631 O=CCOc1c(cccc1Br)Br 34a_100000736428_200009817547 [0,1,1,0,0,0|1,0,1]=4 742 B12R1.1631 O=CCOc1c(cccc1Br)Br 7a_100000736428_200015260668 [0,1,1,0,0,0|1,0,1]=4 743 B12R1.1631 O=CCOc1c(cccc1Br)Cl 34a_100010214474_200009817547 [0,1,1,0,0,0|1,0,1]=4 744 B12R1.1631 O=CCOc1c(cccc1Br)Cl 7a_100010214474_200015260668 [0,1,1,0,0,0|1,0,1]=4 745 B12R1.1631 O=CCOc1c(cccc1Br)F 34a_100009813666_200009817547 [0,1,1,0,0,0|1,0,1]=4 746 B12R1.1631 O=CCOc1c(cccc1Br)F 7a_100009813666_200015260668 [0,1,1,0,0,0|1,0,1]=4 747 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 34a_100000211709_200009817547 [0,1,1,0,0,0|1,0,1]=4 748 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 7a_100000211709_200015260668 [0,1,1,0,0,0|1,0,1]=4 749 B12R1.1631 O=CCOc1c(cccc1Cl)F 34a_100000694953_200009817547 [0,1,1,0,0,0|1,0,1]=4 750 B12R1.1631 O=CCOc1c(cccc1Cl)F 7a_100000694953_200015260668 [0,1,1,0,0,0|1,0,1]=4 751 B12R1.1631 O=CCOc1c(cccc1F)F 34a_100000230165_200009817547 [0,1,1,0,0,0|1,0,1]=4 752 B12R1.1631 O=CCOc1c(cccc1F)F 7a_100000230165_200015260668 [0,1,1,0,0,0|1,0,1]=4 753 B12R1.1631 O=CCOc1c(cccc1I)Br 34a_100010084509_200009817547 [0,1,1,0,0,0|1,0,1]=4 754 B12R1.1631 O=CCOc1c(cccc1I)Br 7a_100010084509_200015260668 [0,1,1,0,0,0|1,0,1]=4 755 B12R1.1631 O=CCOc1c(cccc1I)Cl 34a_100010202889_200009817547 [0,1,1,0,0,0|1,0,1]=4 756 B12R1.1631 O=CCOc1c(cccc1I)Cl 7a_100010202889_200015260668 [0,1,1,0,0,0|1,0,1]=4 757 B12R1.1631 O=CCOc1c(cccc1I)F 34a_100010186298_200009817547 [0,1,1,0,0,0|1,0,1]=4 758 B12R1.1631 O=CCOc1c(cccc1I)F 7a_100010186298_200015260668 [0,1,1,0,0,0|1,0,1]=4 759 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_100010187912_200015260668 [0,1,1,0,0,0|1,0,1]=4 760 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_200015260668_100010187912 [0,1,1,0,0,0|1,0,1]=4 761 B12R1.1631 O=CCSc1c(cccc1Cl)O 62a_200015260668_100000050174 [0,1,1,0,0,0|1,0,1]=4 762 B12R1.1631 O=CCSc1c(cccc1F)O 62a_100009820682_200015260668 [0,1,1,0,0,0|1,0,1]=4 763 B12R1.1631 O=CCSc1c(cccc1F)O 62a_200015260668_100009820682 [0,1,1,0,0,0|1,0,1]=4 764 B12R1.1631 O=CCSc1c(cccc1O)O 62a_200015260668_100010205330 [0,1,1,0,0,0|1,0,1]=4 765 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,1,0,0,0|1,0,0]=3 766 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,1,1,0,0,0|2,0,0]=4 767 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,1,0,0,0|1,0,0]=3 768 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,1,1,0,0,0|1,0,0]=3 769 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,1,1,0,0,0|2,0,0]=4 770 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,1,1,0,0,0|1,0,0]=3 771 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [0,1,1,0,0,0|2,0,0]=4 772 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,1,0,0,0|1,0,1]=4 773 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,1,0,0,0|0,0,2]=4 774 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,1,0,0,0|0,0,2]=4 775 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,1,0,0,0|0,0,2]=4 776 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,1,1,0,0,0|0,0,2]=4 777 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,1,1,0,0,0|0,0,2]=4 778 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,1,0,0,0|0,0,2]=4 779 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,1,1,0,0,0|1,0,1]=4 780 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,1,1,0,0,0|1,0,1]=4 781 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,1,1,0,0,0|1,0,1]=4 782 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,1,1,0,0,0|1,0,1]=4 783 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,1,1,0,0,0|1,0,0]=3 784 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,1,1,0,0,0|1,0,0]=3 785 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [0,1,1,0,0,0|2,0,0]=4 786 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,1,0,0,0|1,0,1]=4 787 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,1,0,0,0|0,0,2]=4 788 B12R1.118 O=CC(C=O)Nc1ccccc1 34a_100000106764_100000736813 [0,1,1,0,0,0|1,0,1]=4 789 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [0,1,1,0,0,0|0,0,1]=3 790 B12R1.118 O=CC(C=O)Oc1cccnc1 34a_100000210849_100000736813 [0,1,1,0,0,0|1,0,1]=4 791 B12R1.118 O=CC(C=O)Oc1ccncc1 34a_100000212176_100000736813 [0,1,1,0,0,0|1,0,1]=4 792 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000719477_100000736813 [0,1,1,0,0,0|0,1,1]=4 793 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000736813_100000041952 [0,1,1,0,0,0|0,1,1]=4 794 B12R1.59 C=C(C)CSc1ccc(o1)C=O 62a_100000748629_100000186757 [0,1,1,0,0,0|1,0,1]=4 795 B12R1.59 C=C(C)CSc1coc(c1)C=O 62a_100000747035_100000211660 [0,1,1,0,0,0|1,0,1]=4 796 B12R1.59 C=C(C)CSc1coc(c1)C=O 62a_100000748629_100000747035 [0,1,1,0,0,0|1,0,1]=4 797 B12R1.59 C=C(F)CSc1ccc(o1)C=O 62a_100000042424_100000186757 [0,1,1,0,0,0|1,0,1]=4 798 B12R1.59 C=C(F)CSc1coc(c1)C=O 62a_100000042424_100000747035 [0,1,1,0,0,0|1,0,1]=4 799 B12R1.59 C=C(F)CSc1coc(c1)C=O 62a_100000747035_100000042424 [0,1,1,0,0,0|1,0,1]=4 800 B12R1.59 CC(C)C=Cc1ccc(o1)C=O 271570a_100016257149_100000185145 [0,1,1,0,0,0|0,0,2]=4 801 B12R1.59 CC(C)C=Cc1coc(c1)C=O 271570a_100016257149_100000747035 [0,1,1,0,0,0|0,0,2]=4 802 B12R1.59 CC(O)C=Cc1ccc(o1)C=O 271570a_200011019289_100000185145 [0,1,1,0,0,0|0,0,2]=4 803 B12R1.59 CC(O)C=Cc1coc(c1)C=O 271570a_200011019289_100000747035 [0,1,1,0,0,0|0,0,2]=4 804 B12R1.61 C=CC(=O)Cc1ccc(o1)C=O 1458a_100000185746_200000079136 [0,1,1,0,0,0|0,0,1]=3 805 B12R1.61 C=CC(=O)Cc1csc(c1)C=O 1458a_100000185746_100000070824 [0,1,1,0,0,0|0,1,1]=4 806 B12R1.61 C=CC(C)Sc1ccc(o1)C=O 62a_100011215867_100000186757 [0,1,1,0,0,0|1,0,1]=4 807 B12R1.61 C=CC(C)Sc1coc(c1)C=O 62a_100011215867_100000747035 [0,1,1,0,0,0|1,0,1]=4 808 B12R1.337 C=CCSc1ccc(o1)C(=O)C 62a_100000210623_100000229899 [0,1,1,0,0,0|1,0,1]=4 809 B12R1.337 C=CCSc1coc(c1)C(=O)N 62a_100000210623_200009817131 [0,1,1,0,0,0|1,0,1]=4 810 B12R1.337 C=CCSc1coc(c1)C(=O)N 62a_200009817131_100000210623 [0,1,1,0,0,0|1,0,1]=4 811 B12R1.455 C/C=C/CSc1ccc(o1)C=O 62a_100102629194_100000186757 [0,1,1,0,0,0|0,0,2]=4 812 B12R1.455 C/C=C/CSc1coc(c1)C=O 62a_100000747035_100102629194 [0,1,1,0,0,0|0,0,2]=4 813 B12R1.455 C/C=C/CSc1coc(c1)C=O 62a_100102629194_100000747035 [0,1,1,0,0,0|0,0,2]=4 814 B12R1.455 C=CCCSc1ccc(o1)C=O 62a_100000754431_100000186757 [0,1,1,0,0,0|0,0,2]=4 815 B12R1.455 C=CCCSc1coc(c1)C=O 62a_100000747035_100000754431 [0,1,1,0,0,0|0,0,2]=4 816 B12R1.455 C=CCCSc1coc(c1)C=O 62a_100000754431_100000747035 [0,1,1,0,0,0|0,0,2]=4 817 B12R1.455 C=CCNCc1ccc(o1)C=O 2230a_100020586998_200000079136 [0,1,1,0,0,0|0,0,2]=4 818 B12R1.455 C=CCOCc1ccc(o1)C=O 34a_200000210373_200000079136 [0,1,1,0,0,0|0,0,2]=4 819 B12R1.455 C=CCSCc1ccc(o1)C=O 62a_100000210623_200000079136 [0,1,1,0,0,0|0,0,2]=4 820 B12R1.455 CC=CCSc1ccc(o1)C=O 62a_100000070051_100000186757 [0,1,1,0,0,0|0,0,2]=4 821 B12R1.455 CC=CCSc1coc(c1)C=O 62a_100000070051_100000747035 [0,1,1,0,0,0|0,0,2]=4 822 B12R1.455 CC=CCSc1coc(c1)C=O 62a_100000747035_100000070051 [0,1,1,0,0,0|0,0,2]=4 823 B12R1.455 CCCC=Cc1ccc(o1)C=O 271570a_100016258520_100000185145 [0,1,1,0,0,0|0,0,2]=4 824 B12R1.455 CCCC=Cc1coc(c1)C=O 271570a_100016258520_100000747035 [0,1,1,0,0,0|0,0,2]=4 825 B12R1.455 CCOC=Cc1ccc(o1)C=O 271570a_100016256518_100000185145 [0,1,1,0,0,0|0,0,2]=4 826 B12R1.455 CCOC=Cc1coc(c1)C=O 271570a_100016256518_100000747035 [0,1,1,0,0,0|0,0,2]=4 827 B12R1.455 COCC=Cc1ccc(o1)C=O 271570a_100016286323_100000185145 [0,1,1,0,0,0|0,0,2]=4 828 B12R1.455 COCC=Cc1coc(c1)C=O 271570a_100016286323_100000747035 [0,1,1,0,0,0|0,0,2]=4 829 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [1,1,0,0,0,0|0,1,1]=4 830 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [1,1,0,0,0,0|0,0,1]=3 831 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [1,1,0,0,0,0|0,1,1]=4 832 B12R2.202 CC1=Cc2cccc(c2C1)O 271570a_203496583355_100010271545 [1,1,0,0,0,0|1,0,1]=4 833 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [1,1,0,0,0,0|1,0,1]=4 834 B12R2.202 Cc1nc2c(cccc2o1)O 271570a_203496583355_100010883239 [1,1,0,0,0,0|1,0,1]=4 835 B12R2.202 Cc1nc2cccc(c2o1)O 271570a_203496583355_100010168998 [1,1,0,0,0,0|1,0,1]=4 836 B12R2.202 Nc1cc2cccc(c2s1)O 271570a_203496583355_100010090802 [1,1,0,0,0,0|1,1,0]=4 837 B12R2.202 Nc1nc2cccc(c2o1)O 271570a_203496583355_100012347120 [1,1,0,0,0,0|2,0,0]=4 838 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [1,1,0,0,0,0|1,0,1]=4 839 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [1,1,0,0,0,0|1,0,1]=4 840 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [1,1,0,0,0,0|1,0,1]=4 841 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [1,1,0,0,0,0|1,0,0]=3 842 B12R2.202 Oc1cc2cccc(c2[nH]1)Br 271570a_203496583355_100135389745 [1,1,0,0,0,0|1,0,1]=4 843 B12R2.606 Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100011214893 [1,1,0,0,0,0|1,0,1]=4 844 B12R2.606 Cc1cc2cc(ccc2s1)O 271570a_203496583355_100000695401 [1,1,0,0,0,0|0,1,1]=4 845 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [1,1,0,0,0,0|1,0,1]=4 846 B12R2.606 Cc1nc2cc(ccc2o1)O 271570a_203496583355_100009816932 [1,1,0,0,0,0|1,0,1]=4 847 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [1,1,0,0,0,0|1,0,1]=4 848 B12R2.606 Nc1nc2cc(ccc2o1)O 271570a_203496583355_100000737949 [1,1,0,0,0,0|2,0,0]=4 849 B12R2.606 Nc1nc2ccc(cc2o1)O 271570a_203496583355_100010000678 [1,1,0,0,0,0|2,0,0]=4 850 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [1,1,0,0,0,0|1,0,1]=4 851 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [1,1,0,0,0,0|1,0,1]=4 852 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [1,1,0,0,0,0|1,0,1]=4 853 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [1,1,0,0,0,0|1,0,0]=3 854 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [1,1,0,0,0,0|1,1,0]=4 855 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [1,1,0,0,0,0|2,0,0]=4 856 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [1,1,0,0,0,0|1,0,0]=3 857 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [1,1,0,0,0,0|1,1,0]=4 858 B12R2.606 O=c1[nH]c2ncc(cc2o1)O 271570a_203496583355_100000721845 [1,1,0,0,0,0|2,0,0]=4 859 B12R2.606 Oc1cc2cc(ccc2[nH]1)Br 271570a_203496583355_100011012855 [1,1,0,0,0,0|1,0,1]=4 860 B12R2.606 Oc1cc2cc(ccc2s1)Br 271570a_203496583355_200010198765 [1,1,0,0,0,0|0,1,1]=4 861 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,1,0,0,1,0|0,0,2]=4 862 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,1,0,0,1,0|0,0,2]=4 863 B14R2.92 C=Cc1c[nH]c2ccccc2c1=O 271570a_100011290941_100012339567 [0,1,0,0,0,1|2,0,0]=4 864 B14R2.92 C=Cc1ccc2ccccc2c1Br 271570a_100011290941_200010089984 [0,1,0,0,0,1|2,0,0]=4 865 B14R2.92 C=Cc1ccc2ccccc2c1C 271570a_100011290941_100010221197 [0,1,0,0,0,1|2,0,0]=4 866 B14R2.92 C=Cc1ccc2ccccc2c1F 271570a_100011290941_100009832041 [0,1,0,0,0,1|2,0,0]=4 867 B14R2.92 C=Cc1ccc2ccccc2c1N 271570a_100011290941_100009817101 [0,1,0,0,0,1|2,0,0]=4 868 B14R2.92 C=Cc1ccc2ccccc2c1O 271570a_100011290941_100009996032 [0,1,0,0,0,1|2,0,0]=4 869 B14R2.92 C=Cc1cnc2ccccc2c1Cl 271570a_100011290941_100012352519 [0,1,0,0,0,1|2,0,0]=4 870 B14R2.92 C=Cc1cnc2ccccc2c1N 271570a_100011290941_100009995562 [0,1,0,0,0,1|2,0,0]=4 871 B14R2.92 C=Cc1coc2ccccc2c1=O 271570a_100011290941_100009813851 [0,1,0,0,0,1|1,0,0]=3 872 B14R2.92 C=Cc1ncc2ccccc2c1N 271570a_100011290941_100000087573 [0,1,0,0,0,1|2,0,0]=4 873 B14R2.92 C=Cc1nnc2ccccc2c1O 271570a_100011290941_100000688347 [0,1,0,0,0,1|2,0,0]=4 874 B14R2.92 CSc1coc2ccccc2c1=O 62a_200000210301_100009813851 [0,1,0,0,0,1|2,0,0]=4 875 B14R2.92 O=Cc1ccc2ccccc2c1O 271570a_203496583355_100009813496 [0,1,0,0,0,1|1,0,0]=3 876 B14R2.92 [13CH3]Sc1coc2ccccc2c1=O 62a_200025704644_100009813851 [0,1,0,0,0,1|2,0,0]=4 877 B14R2.112 C=C=Cc1cc2ccccc2cn1 271570a_100015277604_100000047361 [0,1,0,0,0,1|2,0,0]=4 878 B14R2.112 C=C=Cc1ccc2ccccc2c1 271570a_100015277604_100000233703 [0,1,0,0,0,1|2,0,0]=4 879 B14R2.112 C=C=Cc1ccc2ccccc2n1 271570a_100015277604_100011291633 [0,1,0,0,0,1|2,0,0]=4 880 B14R2.112 C=C=Cc1cnc2ccccc2c1 271570a_100015277604_100000737414 [0,1,0,0,0,1|2,0,0]=4 881 B14R2.112 C=C=Cc1cnc2ccccc2n1 271570a_100015277604_100000756483 [0,1,0,0,0,1|2,0,0]=4 882 B14R2.112 C=C=Cc1ncc2ccccc2n1 271570a_100015277604_100000097389 [0,1,0,0,0,1|2,0,0]=4 883 B14R2.112 CC=Cc1cc2ccccc2cn1 271570a_100016259895_100000047361 [0,1,0,0,0,1|2,0,0]=4 884 B14R2.112 CC=Cc1ccc2ccccc2c1 271570a_100016259895_100000233703 [0,1,0,0,0,1|2,0,0]=4 885 B14R2.112 CC=Cc1ccc2ccccc2n1 271570a_100016259895_100011291633 [0,1,0,0,0,1|2,0,0]=4 886 B14R2.112 CC=Cc1cnc2ccccc2c1 271570a_100016259895_100000737414 [0,1,0,0,0,1|2,0,0]=4 887 B14R2.112 CC=Cc1cnc2ccccc2n1 271570a_100016259895_100000756483 [0,1,0,0,0,1|2,0,0]=4 888 B14R2.112 CC=Cc1ncc2ccccc2n1 271570a_100016259895_100000097389 [0,1,0,0,0,1|2,0,0]=4 889 B14R2.112 CNCC1=Cc2ccccc2OC1 270004a_106832991635_100000013085 [0,1,0,0,0,1|1,0,1]=4 890 B14R2.134 C=Cc1cc2cc(ccc2cn1)F 271570a_100011290941_100009828686 [0,1,0,0,0,1|2,0,0]=4 891 B14R2.134 C=Cc1ccc2ccc(cc2c1)N 271570a_100011290941_100010090036 [0,1,0,0,0,1|2,0,0]=4 892 B14R2.134 C=Cc1ccc2ccc(cc2c1)O 271570a_100011290941_100009816537 [0,1,0,0,0,1|2,0,0]=4 893 B14R2.134 C=Cc1ccc2ccc(cc2n1)O 271570a_100011290941_100000079174 [0,1,0,0,0,1|2,0,0]=4 894 B14R2.134 C=Cc1cnc2ccc(cc2c1)Br 271570a_100011290941_100010740133 [0,1,0,0,0,1|2,0,0]=4 895 B14R2.134 C=Cc1cnc2ccc(cc2c1)C 271570a_100011290941_100015841224 [0,1,0,0,0,1|2,0,0]=4 896 B14R2.134 C=Cc1cnc2ccc(cc2c1)Cl 271570a_100011290941_100015929906 [0,1,0,0,0,1|2,0,0]=4 897 B14R2.134 C=Cc1cnc2ccc(cc2c1)N 271570a_100011290941_100009888932 [0,1,0,0,0,1|2,0,0]=4 898 B14R2.134 C=Cc1cnc2ccc(cc2c1)O 271570a_100011290941_100010137430 [0,1,0,0,0,1|2,0,0]=4 899 B14R2.134 C=Cc1cnc2ccc(cc2n1)O 271570a_100011290941_200020640061 [0,1,0,0,0,1|2,0,0]=4 900 B14R2.134 C=Cc1ncc2ccc(cc2n1)F 271570a_100011290941_100000104070 [0,1,0,0,0,1|2,0,0]=4 901 B14R2.134 N#CC1=Cc2cc(ccc2OC1)O 271570a_203496583355_200010000632 [0,1,0,0,0,1|1,0,1]=4 902 B14R2.134 O=CC1=Cc2cc(ccc2OC1)O 271570a_203496583355_100000739462 [0,1,0,0,0,1|0,0,0]=2 903 B14R2.134 O=Cc1ccc2ccc(cc2c1)O 271570a_203496583355_100010200085 [0,1,0,0,0,1|1,0,0]=3 904 B14R2.134 O=Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100010174008 [0,1,0,0,0,1|1,0,0]=3 905 B14R2.142 C=Cc1ccc2cccc(c2c1)C 271570a_100011290941_100010089936 [0,1,0,0,0,1|2,0,0]=4 906 B14R2.142 C=Cc1ccc2cccc(c2c1)N 271570a_100011290941_100010090012 [0,1,0,0,0,1|2,0,0]=4 907 B14R2.142 C=Cc1ccc2cccc(c2c1)O 271570a_100011290941_100010089991 [0,1,0,0,0,1|2,0,0]=4 908 B14R2.142 C=Cc1ccc2cccc(c2n1)C 271570a_100011290941_100012002297 [0,1,0,0,0,1|2,0,0]=4 909 B14R2.142 C=Cc1ccc2cccc(c2n1)F 271570a_100011290941_100012017632 [0,1,0,0,0,1|2,0,0]=4 910 B14R2.142 C=Cc1ccc2cccc(c2n1)O 271570a_100011290941_100010153751 [0,1,0,0,0,1|2,0,0]=4 911 B14R2.142 C=Cc1cnc2cccc(c2c1)N 271570a_100011290941_100010264086 [0,1,0,0,0,1|2,0,0]=4 912 B14R2.142 C=Cc1cnc2cccc(c2c1)O 271570a_100011290941_200010153752 [0,1,0,0,0,1|2,0,0]=4 913 B14R2.142 C=Cc1ncc2cccc(c2n1)O 271570a_100011290941_100010674811 [0,1,0,0,0,1|2,0,0]=4 914 B14R2.142 O=Cc1ccc2ccnc(c2c1)O 271570a_203496583355_100000094387 [0,1,0,0,0,1|2,0,0]=4 915 B14R2.781 C=C(C)c1cc2ccccc2cn1 271570a_100000694244_100000047361 [0,1,0,0,0,1|2,0,0]=4 916 B14R2.781 C=C(C)c1ccc2ccccc2c1 271570a_100000694244_100000233703 [0,1,0,0,0,1|2,0,0]=4 917 B14R2.781 C=C(C)c1ccc2ccccc2n1 271570a_100000694244_100011291633 [0,1,0,0,0,1|2,0,0]=4 918 B14R2.781 C=C(C)c1cnc2ccccc2c1 271570a_100000694244_100000737414 [0,1,0,0,0,1|2,0,0]=4 919 B14R2.781 C=C(C)c1cnc2ccccc2n1 271570a_100000694244_100000756483 [0,1,0,0,0,1|2,0,0]=4 920 B14R2.781 C=C(C)c1ncc2ccccc2n1 271570a_100000694244_100000097389 [0,1,0,0,0,1|2,0,0]=4 921 B14R2.781 CC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_200000210301 [0,1,0,0,0,1|0,0,0]=2 922 B14R2.781 CC(=O)C1CCc2ccccc2O1 1458a_100000065239_200000210301 [0,1,0,0,0,1|0,0,2]=4 923 B14R2.781 CC(=O)C1COc2ccccc2C1 1458a_100000203760_200000210301 [0,1,0,0,0,1|0,0,2]=4 924 B14R2.781 CC(=O)C1COc2ccccc2O1 1458a_100000182656_200000210301 [0,1,0,0,0,1|0,0,2]=4 925 B14R2.781 CC(=O)C1Cc2ccccc2CO1 1458a_100009880028_200000210301 [0,1,0,0,0,1|0,0,2]=4 926 B14R2.781 CC(=O)c1ccc2ccccc2c1 1458a_100000210637_200000210301 [0,1,0,0,0,1|1,0,0]=3 927 B14R2.781 CC(=O)c1ccc2cccnc2c1 1458a_100011933907_200000210301 [0,1,0,0,0,1|2,0,0]=4 928 B14R2.781 CC(=O)c1ccc2ccncc2c1 1458a_100000070124_200000210301 [0,1,0,0,0,1|2,0,0]=4 929 B14R2.781 CC(=O)c1ccc2cnccc2c1 1458a_100011935275_200000210301 [0,1,0,0,0,1|2,0,0]=4 930 B14R2.781 CC(=O)c1ccc2ncccc2c1 1458a_100011216044_200000210301 [0,1,0,0,0,1|2,0,0]=4 931 B14R2.781 [13CH3]C(=O)C1=Cc2ccccc2OC1 1458a_100000018039_200025704644 [0,1,0,0,0,1|0,0,0]=2 932 B14R2.781 [13CH3]C(=O)C1CCc2ccccc2O1 1458a_100000065239_200025704644 [0,1,0,0,0,1|0,0,2]=4 933 B14R2.781 [13CH3]C(=O)C1COc2ccccc2C1 1458a_100000203760_200025704644 [0,1,0,0,0,1|0,0,2]=4 934 B14R2.781 [13CH3]C(=O)C1COc2ccccc2O1 1458a_100000182656_200025704644 [0,1,0,0,0,1|0,0,2]=4 935 B14R2.781 [13CH3]C(=O)C1Cc2ccccc2CO1 1458a_100009880028_200025704644 [0,1,0,0,0,1|0,0,2]=4 936 B14R2.781 [13CH3]C(=O)c1ccc2ccccc2c1 1458a_100000210637_200025704644 [0,1,0,0,0,1|1,0,0]=3 937 B14R2.781 [13CH3]C(=O)c1ccc2cccnc2c1 1458a_100011933907_200025704644 [0,1,0,0,0,1|2,0,0]=4 938 B14R2.781 [13CH3]C(=O)c1ccc2ccncc2c1 1458a_100000070124_200025704644 [0,1,0,0,0,1|2,0,0]=4 939 B14R2.781 [13CH3]C(=O)c1ccc2cnccc2c1 1458a_100011935275_200025704644 [0,1,0,0,0,1|2,0,0]=4 940 B14R2.781 [13CH3]C(=O)c1ccc2ncccc2c1 1458a_100011216044_200025704644 [0,1,0,0,0,1|2,0,0]=4 941 B14R2.1019 C=Cc1cc(=O)c2ccccc2[nH]1 271570a_100011290941_100000090176 [0,1,0,0,0,1|2,0,0]=4 942 B14R2.1019 C=Cc1cc(c2ccccc2c1)N 271570a_100011290941_100010171453 [0,1,0,0,0,1|2,0,0]=4 943 B14R2.1019 C=Cc1cc(c2ccccc2c1)O 271570a_100011290941_100010089979 [0,1,0,0,0,1|2,0,0]=4 944 B14R2.1019 C=Cc1cc(c2ccccc2n1)C 271570a_100011290941_100012354972 [0,1,0,0,0,1|2,0,0]=4 945 B14R2.1019 C=Cc1cc(c2ccccc2n1)N 271570a_100011290941_100010197925 [0,1,0,0,0,1|2,0,0]=4 946 B14R2.1019 C=Cc1cc2ccccc2[n+](c1)[O-] 271570a_100011290941_200010000521 [0,1,0,0,0,1|2,0,0]=4 947 B14R2.1019 C=Cc1cc2ccccc2c(n1)N 271570a_100011290941_100009957331 [0,1,0,0,0,1|2,0,0]=4 948 B14R2.1019 C=Cc1nc(c2ccccc2n1)C 271570a_100011290941_100000046098 [0,1,0,0,0,1|2,0,0]=4 949 B14R2.1128 C=Cc1cc2ccccc2cc1Br 271570a_100011290941_200010169544 [0,1,0,0,0,1|2,0,0]=4 950 B14R2.1128 C=Cc1cc2ccccc2cc1Cl 271570a_100011290941_100010152806 [0,1,0,0,0,1|2,0,0]=4 951 B14R2.1128 C=Cc1cc2ccccc2cc1N 271570a_100011290941_100009991566 [0,1,0,0,0,1|2,0,0]=4 952 B14R2.1128 C=Cc1cc2ccccc2cc1O 271570a_100011290941_100009817189 [0,1,0,0,0,1|2,0,0]=4 953 B14R2.1128 C=Cc1cc2ccccc2nc1Cl 271570a_100011290941_100010220712 [0,1,0,0,0,1|2,0,0]=4 954 B14R2.1128 C=Cc1cc2ccccc2nc1F 271570a_100011290941_100011158909 [0,1,0,0,0,1|2,0,0]=4 955 B14R2.1128 C=Cc1cc2ccccc2nc1N 271570a_100011290941_100010135404 [0,1,0,0,0,1|2,0,0]=4 956 B14R2.1128 C=Cc1cc2ccccc2nc1O 271570a_100011290941_200009820883 [0,1,0,0,0,1|2,0,0]=4 957 B14R2.1128 C=Cc1cc2ccccc2oc1=O 271570a_100011290941_200000187772 [0,1,0,0,0,1|1,0,0]=3 958 B14R2.1128 C=Cc1nc2ccccc2cc1Br 271570a_100011290941_100010072790 [0,1,0,0,0,1|2,0,0]=4 959 B14R2.1128 C=Cc1nc2ccccc2cc1C 271570a_100011290941_100000751756 [0,1,0,0,0,1|2,0,0]=4 960 B14R2.1128 C=Cc1nc2ccccc2cc1O 271570a_100011290941_200000100762 [0,1,0,0,0,1|2,0,0]=4 961 B14R2.1128 C=Cc1nc2ccccc2nc1C 271570a_100011290941_100000185947 [0,1,0,0,0,1|2,0,0]=4 962 B14R2.1128 C=Cc1nc2ccccc2nc1N 271570a_100011290941_100000009970 [0,1,0,0,0,1|2,0,0]=4 963 B14R2.1128 COc1cc2ccccc2oc1=O 7a_100000061252_200000210301 [0,1,0,0,0,1|2,0,0]=4 964 B14R2.1128 CSc1cc2ccccc2oc1=O 62a_200000210301_200000187772 [0,1,0,0,0,1|2,0,0]=4 965 B14R2.1128 O=Cc1cc2ccccc2nc1O 271570a_203496583355_100000183649 [0,1,0,0,0,1|1,0,0]=3 966 B14R2.1128 [13CH3]Oc1cc2ccccc2oc1=O 7a_100000061252_200025704644 [0,1,0,0,0,1|2,0,0]=4 967 B14R2.1128 [13CH3]Sc1cc2ccccc2oc1=O 62a_200025704644_200000187772 [0,1,0,0,0,1|2,0,0]=4 968 B14R2.1801 C=Cc1ccc2c(cccc2c1)N 271570a_100011290941_100010090037 [0,1,0,0,0,1|2,0,0]=4 969 B14R2.1801 C=Cc1ccc2c(cccc2c1)O 271570a_100011290941_100010202202 [0,1,0,0,0,1|2,0,0]=4 970 B14R2.1801 C=Cc1cnc2c(cccc2c1)Br 271570a_100011290941_100010204298 [0,1,0,0,0,1|2,0,0]=4 971 B14R2.1801 C=Cc1cnc2c(cccc2c1)C 271570a_100011290941_100009829671 [0,1,0,0,0,1|2,0,0]=4 972 B14R2.1801 C=Cc1cnc2c(cccc2c1)Cl 271570a_100011290941_100000759377 [0,1,0,0,0,1|2,0,0]=4 973 B14R2.1801 C=Cc1cnc2c(cccc2c1)F 271570a_100011290941_100000049890 [0,1,0,0,0,1|2,0,0]=4 974 B14R2.1801 C=Cc1cnc2c(cccc2c1)N 271570a_100011290941_100000702407 [0,1,0,0,0,1|2,0,0]=4 975 B14R2.2332 C=Cc1ccc2cc(ccc2c1)Br 271570a_100011290941_100012344972 [0,1,0,0,0,1|2,0,0]=4 976 B14R2.2332 C=Cc1ccc2cc(ccc2c1)F 271570a_100011290941_100009817052 [0,1,0,0,0,1|2,0,0]=4 977 B14R2.2332 C=Cc1ccc2cc(ccc2c1)N 271570a_100011290941_100000185457 [0,1,0,0,0,1|2,0,0]=4 978 B14R2.2332 C=Cc1ccc2cc(ccc2c1)O 271570a_100011290941_100000185455 [0,1,0,0,0,1|2,0,0]=4 979 B14R2.2332 C=Cc1ccc2cc(ccc2n1)C 271570a_100011290941_100011865911 [0,1,0,0,0,1|2,0,0]=4 980 B14R2.2332 C=Cc1ccc2cc(ccc2n1)F 271570a_100011290941_100011998705 [0,1,0,0,0,1|2,0,0]=4 981 B14R2.2332 C=Cc1ccc2cc(ccc2n1)O 271570a_100011290941_100009849208 [0,1,0,0,0,1|2,0,0]=4 982 B14R2.2332 C=Cc1cnc2cc(ccc2c1)Cl 271570a_100011290941_100015716233 [0,1,0,0,0,1|2,0,0]=4 983 B14R2.2332 C=Cc1cnc2cc(ccc2c1)N 271570a_100011290941_200010264087 [0,1,0,0,0,1|2,0,0]=4 984 B14R2.2332 C=Cc1cnc2cc(ccc2c1)O 271570a_100011290941_200010153753 [0,1,0,0,0,1|2,0,0]=4 985 B14R2.2332 C=Cc1cnc2cc(ccc2n1)F 271570a_100011290941_100000098432 [0,1,0,0,0,1|2,0,0]=4 986 B14R2.2332 C=Cc1cnc2cc(ccc2n1)N 271570a_100011290941_100009885871 [0,1,0,0,0,1|2,0,0]=4 987 B14R2.2332 C=Cc1cnc2cc(ccc2n1)O 271570a_100011290941_200010664160 [0,1,0,0,0,1|2,0,0]=4 988 B14R2.2332 O=Cc1ccc2cc(ccc2c1)O 271570a_203496583355_100012356508 [0,1,0,0,0,1|1,0,0]=3 989 B14R2.2332 O=Cc1ccc2cc(cnc2c1)O 271570a_203496583355_100010114372 [0,1,0,0,0,1|2,0,0]=4 990 B14R2.2332 O=Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100000087602 [0,1,0,0,0,1|2,0,0]=4 991 B14R2.44 C=C=Cc1sc2ccccc2c1C 271570a_100015277604_200010198769 [0,2,0,0,0,0|1,1,0]=4 992 B14R2.44 CC=Cc1sc2ccccc2c1C 271570a_100016259895_200010198769 [0,2,0,0,0,0|1,1,0]=4 993 B14R2.44 CNCc1oc2ccccc2c1C 207a_100102657272_100000077534 [0,2,0,0,0,0|1,0,1]=4 994 B14R2.44 CNCc1oc2ccccc2c1C 2230a_100153394726_200000210301 [0,2,0,0,0,0|1,0,1]=4 995 B14R2.44 CNCc1oc2ccccc2c1C 270004a_106832991635_100000077534 [0,2,0,0,0,0|1,0,1]=4 996 B14R2.44 CNCc1oc2ccccc2c1C 34a_100153394726_200000210301 [0,2,0,0,0,0|1,0,1]=4 997 B14R2.44 Cc1c(oc2c1cccc2)CN[13CH3] 2230a_100153394726_200025704644 [0,2,0,0,0,0|1,0,1]=4 998 B14R2.44 Cc1c(oc2c1cccc2)CN[13CH3] 34a_100153394726_200025704644 [0,2,0,0,0,0|1,0,1]=4 999 B14R2.67 C#CCSc1cc2ccccc2o1 62a_100000038162_100010159458 [0,2,0,0,0,0|1,0,1]=4 1000 B14R2.67 C=CCSc1cc2ccccc2[nH]1 62a_100000210623_100010232065 [0,2,0,0,0,0|2,0,0]=4 1001 B14R2.67 C=CCSc1cc2ccccc2o1 62a_100000210623_100010159458 [0,2,0,0,0,0|1,0,0]=3 1002 B14R2.67 C=CCSc1cc2ccccc2s1 62a_100000210623_100009816949 [0,2,0,0,0,0|1,1,0]=4 1003 B14R2.67 CC=NNc1nc2ccccc2o1 4a_100000182307_200000210099 [0,2,0,0,0,0|2,0,0]=4 1004 B14R2.67 CCCCc1cc2ccccc2o1 271570a_100020621405_100010159458 [0,2,0,0,0,0|1,0,1]=4 1005 B14R2.67 CCCSc1cc2ccccc2o1 62a_100000210303_100010159458 [0,2,0,0,0,0|1,0,1]=4 1006 B14R2.67 CCNCc1cc2ccccc2o1 207a_100015525214_100000229944 [0,2,0,0,0,0|1,0,1]=4 1007 B14R2.67 CCNCc1cc2ccccc2o1 270004a_100015525214_100000229944 [0,2,0,0,0,0|1,0,1]=4 1008 B14R2.67 CCOCc1cc2ccccc2o1 34a_100000233474_100000210202 [0,2,0,0,0,0|0,0,2]=4 1009 B14R2.67 CCOCc1cc2ccccc2o1 7a_100000233474_100000210202 [0,2,0,0,0,0|0,0,2]=4 1010 B14R2.67 COCCc1cc2ccccc2o1 34a_100011996023_200000210301 [0,2,0,0,0,0|0,0,2]=4 1011 B14R2.67 COCCc1cc2ccccc2o1 7a_100011996023_200000210301 [0,2,0,0,0,0|0,0,2]=4 1012 B14R2.67 COCSc1cc2ccccc2o1 62a_100000766300_100010159458 [0,2,0,0,0,0|0,0,2]=4 1013 B14R2.67 CSCSc1cc2ccccc2o1 62a_100011218213_100010159458 [0,2,0,0,0,0|0,1,1]=4 1014 B14R2.67 FCCSc1cc2ccccc2o1 62a_100011217306_100010159458 [0,2,0,0,0,0|1,0,1]=4 1015 B14R2.67 FCOCc1cc2ccccc2o1 34a_100000233474_100015361967 [0,2,0,0,0,0|0,0,2]=4 1016 B14R2.67 FCOCc1cc2ccccc2o1 7a_100000233474_100015361967 [0,2,0,0,0,0|0,0,2]=4 1017 B14R2.67 N#CCSc1cc2ccccc2o1 62a_100011215382_100010159458 [0,2,0,0,0,0|1,0,1]=4 1018 B14R2.67 O=CCSc1cc2ccccc2[nH]1 62a_200015260668_100010232065 [0,2,0,0,0,0|1,0,0]=3 1019 B14R2.67 O=CCSc1cc2ccccc2o1 62a_200015260668_100010159458 [0,2,0,0,0,0|0,0,0]=2 1020 B14R2.67 O=CCSc1cc2ccccc2s1 62a_200015260668_100009816949 [0,2,0,0,0,0|0,1,0]=3 1021 B14R2.67 O=CCSc1cc2cccnc2[nH]1 62a_200015260668_100010079843 [0,2,0,0,0,0|2,0,0]=4 1022 B14R2.67 O=CCSc1cn2ccccc2n1 62a_200015260668_100009819586 [0,2,0,0,0,0|2,0,0]=4 1023 B14R2.67 O=CCSc1nc2ccccc2[nH]1 62a_200015260668_100009814255 [0,2,0,0,0,0|2,0,0]=4 1024 B14R2.67 O=CCSc1nc2ccccc2s1 62a_200015260668_100000751744 [0,2,0,0,0,0|1,1,0]=4 1025 B14R2.67 OCCSc1cc2ccccc2o1 62a_100000211926_100010159458 [0,2,0,0,0,0|0,0,2]=4 1026 B14R2.67 [13CH3]OCCc1cc2ccccc2o1 34a_100011996023_200025704644 [0,2,0,0,0,0|0,0,2]=4 1027 B14R2.67 [13CH3]OCCc1cc2ccccc2o1 7a_100011996023_200025704644 [0,2,0,0,0,0|0,0,2]=4 1028 B14R2.106 C=C=Cc1cc2cc(ccc2[nH]1)Br 271570a_100015277604_100011012855 [0,2,0,0,0,0|2,0,0]=4 1029 B14R2.106 C=C=Cc1cc2cc(ccc2s1)Br 271570a_100015277604_200010198765 [0,2,0,0,0,0|1,1,0]=4 1030 B14R2.106 CC=Cc1cc2cc(ccc2[nH]1)Br 271570a_100016259895_100011012855 [0,2,0,0,0,0|2,0,0]=4 1031 B14R2.106 CC=Cc1cc2cc(ccc2s1)Br 271570a_100016259895_200010198765 [0,2,0,0,0,0|1,1,0]=4 1032 B14R2.106 CNCc1cc2cc(ccc2o1)Br 207a_100102657272_100000755920 [0,2,0,0,0,0|1,0,1]=4 1033 B14R2.106 CNCc1cc2cc(ccc2o1)Br 270004a_106832991635_100000755920 [0,2,0,0,0,0|1,0,1]=4 1034 B14R2.106 CNCc1cc2cc(ccc2o1)Cl 207a_100102657272_100012003054 [0,2,0,0,0,0|1,0,1]=4 1035 B14R2.106 CNCc1cc2cc(ccc2o1)Cl 270004a_106832991635_100012003054 [0,2,0,0,0,0|1,0,1]=4 1036 B14R2.106 COCc1cc2cc(ccc2o1)Br 34a_100011934623_200000210301 [0,2,0,0,0,0|0,0,2]=4 1037 B14R2.106 COCc1cc2cc(ccc2o1)Br 7a_100011934623_200000210301 [0,2,0,0,0,0|0,0,2]=4 1038 B14R2.106 COCc1cc2cc(ccc2o1)Cl 34a_100012184896_200000210301 [0,2,0,0,0,0|0,0,2]=4 1039 B14R2.106 COCc1cc2cc(ccc2o1)Cl 7a_100012184896_200000210301 [0,2,0,0,0,0|0,0,2]=4 1040 B14R2.106 [13CH3]OCc1cc2cc(ccc2o1)Br 34a_100011934623_200025704644 [0,2,0,0,0,0|0,0,2]=4 1041 B14R2.106 [13CH3]OCc1cc2cc(ccc2o1)Br 7a_100011934623_200025704644 [0,2,0,0,0,0|0,0,2]=4 1042 B14R2.106 [13CH3]OCc1cc2cc(ccc2o1)Cl 34a_100012184896_200025704644 [0,2,0,0,0,0|0,0,2]=4 1043 B14R2.106 [13CH3]OCc1cc2cc(ccc2o1)Cl 7a_100012184896_200025704644 [0,2,0,0,0,0|0,0,2]=4 1044 B14R2.111 C=C=Cc1cc2cccc(c2[nH]1)Br 271570a_100015277604_100135389745 [0,2,0,0,0,0|2,0,0]=4 1045 B14R2.111 CC=Cc1cc2cccc(c2[nH]1)Br 271570a_100016259895_100135389745 [0,2,0,0,0,0|2,0,0]=4 1046 B14R2.768 CC(=Cc1cc2ccccc2[nH]1)C 271570a_100102525489_100010232065 [0,2,0,0,0,0|2,0,0]=4 1047 B14R2.768 CC(=Cc1cc2ccccc2o1)C 271570a_100102525489_100010159458 [0,2,0,0,0,0|1,0,0]=3 1048 B14R2.768 CC(=Cc1cc2ccccc2s1)C 271570a_100102525489_100009816949 [0,2,0,0,0,0|1,1,0]=4 1049 B14R2.768 CC(=O)Cc1cc2ccccc2o1 1458a_100000735538_200000210301 [0,2,0,0,0,0|0,0,0]=2 1050 B14R2.768 CC(=O)Cc1cc2ccccc2s1 1458a_100012001211_200000210301 [0,2,0,0,0,0|0,1,0]=3 1051 B14R2.768 CC(=O)Cc1cn2ccccc2n1 1458a_100000070787_100000689847 [0,2,0,0,0,0|2,0,0]=4 1052 B14R2.768 CC(=O)Cc1nc2ccccc2[nH]1 1458a_100000070787_100000737899 [0,2,0,0,0,0|2,0,0]=4 1053 B14R2.768 CC(=O)Cc1nc2ccccc2o1 1458a_100000070787_100000195508 [0,2,0,0,0,0|1,0,0]=3 1054 B14R2.768 CC(=O)Cc1nc2ccccc2o1 1458a_100015185861_200000210301 [0,2,0,0,0,0|1,0,0]=3 1055 B14R2.768 CC(=O)Cc1nc2ccccc2s1 1458a_100000070787_100011217541 [0,2,0,0,0,0|1,1,0]=4 1056 B14R2.768 CC(=O)Cc1nc2ncccc2o1 1458a_100000070787_100000696355 [0,2,0,0,0,0|2,0,0]=4 1057 B14R2.768 CC(=O)Cn1cc2ccccc2n1 1458a_100000060251_200000210301 [0,2,0,0,0,0|2,0,0]=4 1058 B14R2.768 CC(C)Sc1cc2ccccc2o1 62a_100000210206_100010159458 [0,2,0,0,0,0|1,0,1]=4 1059 B14R2.768 CN(C)Cc1cc2ccccc2o1 270004a_100102631434_100000229944 [0,2,0,0,0,0|1,0,1]=4 1060 B14R2.768 [13CH3]C(=O)Cc1cc2ccccc2o1 1458a_100000735538_200025704644 [0,2,0,0,0,0|0,0,0]=2 1061 B14R2.768 [13CH3]C(=O)Cc1cc2ccccc2s1 1458a_100012001211_200025704644 [0,2,0,0,0,0|0,1,0]=3 1062 B14R2.768 [13CH3]C(=O)Cc1nc2ccccc2o1 1458a_100015185861_200025704644 [0,2,0,0,0,0|1,0,0]=3 1063 B14R2.768 [13CH3]C(=O)Cn1cc2ccccc2n1 1458a_100000060251_200025704644 [0,2,0,0,0,0|2,0,0]=4 1064 B14R2.972 CC(O[13CH3])c1cc2ccccc2o1 34a_100000198572_200025704644 [0,2,0,0,0,0|0,0,2]=4 1065 B14R2.972 CC(O[13CH3])c1cc2ccccc2o1 7a_100000198572_200025704644 [0,2,0,0,0,0|0,0,2]=4 1066 B14R2.972 CCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210202 [0,2,0,0,0,0|1,0,0]=3 1067 B14R2.972 CCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100000210202 [0,2,0,0,0,0|0,0,2]=4 1068 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 11a_106832991635_100009862756 [0,2,0,0,0,0|1,0,0]=3 1069 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 1626a_100102657272_100009862756 [0,2,0,0,0,0|1,0,0]=3 1070 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 240690a_100102657272_100009862756 [0,2,0,0,0,0|1,0,0]=3 1071 B14R2.972 CNC(=O)C1Cc2ccccc2O1 11a_106832991635_100000209886 [0,2,0,0,0,0|0,0,2]=4 1072 B14R2.972 CNC(=O)C1Cc2ccccc2O1 1626a_100102657272_100000209886 [0,2,0,0,0,0|0,0,2]=4 1073 B14R2.972 CNC(=O)C1Cc2ccccc2O1 240690a_100102657272_100000209886 [0,2,0,0,0,0|0,0,2]=4 1074 B14R2.972 CNC(=O)C1Cc2ccccc2O1 527a_100102657272_100000209886 [0,2,0,0,0,0|0,0,2]=4 1075 B14R2.972 CNC(C)c1cc2ccccc2o1 269862a_106832991636_100000185295 [0,2,0,0,0,0|1,0,1]=4 1076 B14R2.972 COC(C)c1cc2ccccc2o1 34a_100000198572_200000210301 [0,2,0,0,0,0|0,0,2]=4 1077 B14R2.972 COC(C)c1cc2ccccc2o1 7a_100000198572_200000210301 [0,2,0,0,0,0|0,0,2]=4 1078 B14R2.972 O=C(CF)C1=Cc2ccccc2C1 1458a_100009862756_100015361967 [0,2,0,0,0,0|1,0,0]=3 1079 B14R2.972 O=C(CF)C1Cc2ccccc2O1 1458a_100000209886_100015361967 [0,2,0,0,0,0|0,0,2]=4 1080 B14R2.1095 Cc1ccn2c(c(nc2c1)C=O)O 271570a_203496583355_100010114542 [0,2,0,0,0,0|2,0,0]=4 1081 B14R2.3304 C=Cc1ccc2[nH]c(cc2c1)C=O 271570a_100011290941_100009820874 [0,2,0,0,0,0|1,0,0]=3 1082 B14R2.3304 C=Cc1ccc2cc([nH]c2c1)C=O 271570a_100011290941_100000736022 [0,2,0,0,0,0|1,0,0]=3 1083 B14R2.3304 C=Cc1ccc2cc(sc2c1)C=O 271570a_100011290941_100009814784 [0,2,0,0,0,0|0,1,0]=3 1084 B14R2.3304 C=Cc1ccc2nc([nH]c2c1)C=O 271570a_100011290941_200011361486 [0,2,0,0,0,0|2,0,0]=4 1085 B14R2.3304 C=Cc1ccc2nc(cn2c1)C=O 271570a_100011290941_100012351728 [0,2,0,0,0,0|2,0,0]=4 1086 B14R2.3304 C=Cc1ccc2oc(cc2c1)C=O 271570a_100011290941_100000755920 [0,2,0,0,0,0|0,0,0]=2 1087 B14R2.3304 C=Cc1ccc2oc(cc2c1)CC 271570a_100011290941_200010233821 [0,2,0,0,0,0|1,0,1]=4 1088 B14R2.3304 C=Cc1ccc2oc(cc2c1)CO 271570a_100011290941_100011934623 [0,2,0,0,0,0|0,0,2]=4 1089 B14R2.3304 C=Cc1ccc2sc(cc2c1)C=O 271570a_100011290941_100010238522 [0,2,0,0,0,0|0,1,0]=3 1090 B14R2.3304 C=Cc1ccn2cc(nc2c1)C=O 271570a_100011290941_100000731868 [0,2,0,0,0,0|2,0,0]=4 1091 B14R2.3304 CCc1cc2cc(ccc2o1)SC 62a_200000210301_200010233821 [0,2,0,0,0,0|1,0,1]=4 1092 B14R2.3304 CCc1cc2cc(ccc2o1)S[13CH3] 62a_200025704644_200010233821 [0,2,0,0,0,0|1,0,1]=4 1093 B14R2.3304 CCc1cc2ccc(cc2o1)NC 2230a_200009824588_200000210301 [0,2,0,0,0,0|1,0,1]=4 1094 B14R2.3304 CCc1cc2ccc(cc2o1)NC 34a_200009824588_200000210301 [0,2,0,0,0,0|1,0,1]=4 1095 B14R2.3304 CCc1cc2ccc(cc2o1)NC 7a_200009824588_200000210301 [0,2,0,0,0,0|1,0,1]=4 1096 B14R2.3304 CCc1cc2ccc(cc2o1)N[13CH3] 2230a_200009824588_200025704644 [0,2,0,0,0,0|1,0,1]=4 1097 B14R2.3304 CCc1cc2ccc(cc2o1)N[13CH3] 34a_200009824588_200025704644 [0,2,0,0,0,0|1,0,1]=4 1098 B14R2.3304 CCc1cc2ccc(cc2o1)N[13CH3] 7a_200009824588_200025704644 [0,2,0,0,0,0|1,0,1]=4 1099 B14R2.3304 CSc1ccc2[nH]c(cc2c1)C=O 62a_200000210301_100009820874 [0,2,0,0,0,0|1,0,0]=3 1100 B14R2.3304 CSc1ccc2cc([nH]c2c1)C=O 62a_200000210301_100000736022 [0,2,0,0,0,0|1,0,0]=3 1101 B14R2.3304 CSc1ccc2cc(sc2c1)C=O 62a_100009814784_200000210301 [0,2,0,0,0,0|0,1,0]=3 1102 B14R2.3304 CSc1ccc2cc(sc2c1)C=O 62a_200000210301_100009814784 [0,2,0,0,0,0|0,1,0]=3 1103 B14R2.3304 CSc1ccc2nc(cn2c1)C=O 62a_100012351728_200000210301 [0,2,0,0,0,0|2,0,0]=4 1104 B14R2.3304 CSc1ccc2nc(cn2c1)C=O 62a_200000210301_100012351728 [0,2,0,0,0,0|2,0,0]=4 1105 B14R2.3304 CSc1ccc2oc(cc2c1)C=O 62a_200000210301_100000755920 [0,2,0,0,0,0|0,0,0]=2 1106 B14R2.3304 CSc1ccc2oc(cc2c1)CO 62a_200000210301_100011934623 [0,2,0,0,0,0|0,0,2]=4 1107 B14R2.3304 CSc1ccc2sc(cc2c1)C=O 62a_100010238522_200000210301 [0,2,0,0,0,0|0,1,0]=3 1108 B14R2.3304 CSc1ccc2sc(cc2c1)C=O 62a_200000210301_100010238522 [0,2,0,0,0,0|0,1,0]=3 1109 B14R2.3304 CSc1ccn2cc(nc2c1)C=O 62a_100000731868_200000210301 [0,2,0,0,0,0|2,0,0]=4 1110 B14R2.3304 CSc1ccn2cc(nc2c1)C=O 62a_200000210301_100000731868 [0,2,0,0,0,0|2,0,0]=4 1111 B14R2.3304 [13CH3]Sc1ccc2[nH]c(cc2c1)C=O 62a_200025704644_100009820874 [0,2,0,0,0,0|1,0,0]=3 1112 B14R2.3304 [13CH3]Sc1ccc2cc([nH]c2c1)C=O 62a_200025704644_100000736022 [0,2,0,0,0,0|1,0,0]=3 1113 B14R2.3304 [13CH3]Sc1ccc2cc(sc2c1)C=O 62a_100009814784_200025704644 [0,2,0,0,0,0|0,1,0]=3 1114 B14R2.3304 [13CH3]Sc1ccc2cc(sc2c1)C=O 62a_200025704644_100009814784 [0,2,0,0,0,0|0,1,0]=3 1115 B14R2.3304 [13CH3]Sc1ccc2nc(cn2c1)C=O 62a_100012351728_200025704644 [0,2,0,0,0,0|2,0,0]=4 1116 B14R2.3304 [13CH3]Sc1ccc2nc(cn2c1)C=O 62a_200025704644_100012351728 [0,2,0,0,0,0|2,0,0]=4 1117 B14R2.3304 [13CH3]Sc1ccc2oc(cc2c1)C=O 62a_200025704644_100000755920 [0,2,0,0,0,0|0,0,0]=2 1118 B14R2.3304 [13CH3]Sc1ccc2oc(cc2c1)CO 62a_200025704644_100011934623 [0,2,0,0,0,0|0,0,2]=4 1119 B14R2.3304 [13CH3]Sc1ccc2sc(cc2c1)C=O 62a_100010238522_200025704644 [0,2,0,0,0,0|0,1,0]=3 1120 B14R2.3304 [13CH3]Sc1ccc2sc(cc2c1)C=O 62a_200025704644_100010238522 [0,2,0,0,0,0|0,1,0]=3 1121 B14R2.3304 [13CH3]Sc1ccn2cc(nc2c1)C=O 62a_100000731868_200025704644 [0,2,0,0,0,0|2,0,0]=4 1122 B14R2.3304 [13CH3]Sc1ccn2cc(nc2c1)C=O 62a_200025704644_100000731868 [0,2,0,0,0,0|2,0,0]=4 1123 B14R2.4529 C=C(C)c1cc2cc(ccc2[nH]1)Br 271570a_100000694244_100011012855 [0,2,0,0,0,0|2,0,0]=4 1124 B14R2.4529 C=C(C)c1cc2cc(ccc2s1)Br 271570a_100000694244_200010198765 [0,2,0,0,0,0|1,1,0]=4 1125 B14R2.4529 CC(=O)C1Cc2cc(ccc2O1)O 1458a_200009830173_200000210301 [0,2,0,0,0,0|0,0,2]=4 1126 B14R2.4529 CC(=O)C1Cc2ccc(cc2O1)C 1458a_100009922052_200000210301 [0,2,0,0,0,0|0,0,2]=4 1127 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000181247 [0,2,0,0,0,0|0,0,0]=2 1128 B14R2.4529 CC(=O)c1nc2ccc(cc2[nH]1)O 271570a_203496583355_200011795181 [0,2,0,0,0,0|2,0,0]=4 1129 B14R2.4529 CC(=O)n1cc2cc(ccc2n1)O 271570a_203496583355_100010240164 [0,2,0,0,0,0|2,0,0]=4 1130 B14R2.4529 CC(=O)n1cc2ccc(cc2n1)O 271570a_203496583355_100010184422 [0,2,0,0,0,0|2,0,0]=4 1131 B14R2.4529 CC(O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000246534 [0,2,0,0,0,0|0,0,2]=4 1132 B14R2.4529 Cc1ccc2c(c1)OC(C2)C(=O)[13CH3] 1458a_100009922052_200025704644 [0,2,0,0,0,0|0,0,2]=4 1133 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814496 [0,2,0,0,0,0|1,0,0]=3 1134 B14R2.4529 NC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000185017 [0,2,0,0,0,0|0,0,0]=2 1135 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_100009814495 [0,2,0,0,0,0|1,0,0]=3 1136 B14R2.4529 OB(O)c1cc2cc(ccc2o1)O 271570a_203496583355_100010176198 [0,2,0,0,0,0|1,0,1]=4 1137 B14R2.4529 [13CH3]C(=O)C1Cc2cc(ccc2O1)O 1458a_200009830173_200025704644 [0,2,0,0,0,0|0,0,2]=4 1138 B14R2.450 C=C(C)c1sc2ccccc2c1C 271570a_100000694244_200010198769 [0,2,0,0,0,0|1,1,0]=4 1139 B14R2.450 CC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_200000210301 [0,2,0,0,0,0|1,0,0]=3 1140 B14R2.450 CC(=O)C1Cc2ccccc2C1=O 1458a_100000070787_100011218503 [0,2,0,0,0,0|1,0,1]=4 1141 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)[13CH3] 1458a_200000242466_200025704644 [0,2,0,0,0,0|1,0,0]=3 1142 B14R2.1129 C=Cc1c(sc2c1cccc2)C=O 271570a_100011290941_100009816528 [0,2,0,0,0,0|0,1,0]=3 1143 B14R2.2151 Cc1cccn2c1nc(c2O)C=O 271570a_203496583355_100010114541 [0,2,0,0,0,0|2,0,0]=4 1144 B14R2.7969 C=C(C)c1cc2cccc(c2[nH]1)Br 271570a_100000694244_100135389745 [0,2,0,0,0,0|2,0,0]=4 1145 B14R2.7969 CC(=O)c1cc2cccc(c2o1)O 271570a_203496583355_100011280056 [0,2,0,0,0,0|0,0,0]=2 1146 B14R2.7969 NC(=O)c1cc2cccc(c2s1)O 271570a_203496583355_100020879177 [0,2,0,0,0,0|0,1,0]=3 1147 B14R2.11647 C=Cc1cccc2c1cc(s2)C=O 271570a_100011290941_100010109917 [0,2,0,0,0,0|0,1,0]=3 1148 B14R2.11647 C=Cc1cccc2c1sc(c2)C=O 271570a_100011290941_100010110135 [0,2,0,0,0,0|0,1,0]=3 1149 B14R2.11647 C=Cc1cccc2n1cc(n2)C=O 271570a_100011290941_100010238484 [0,2,0,0,0,0|2,0,0]=4 1150 B14R2.11647 C=Cc1cccn2c1nc(c2)C=O 271570a_100011290941_100012360382 [0,2,0,0,0,0|2,0,0]=4 1151 B14R2.11647 C=Cc1ccnc2c1sc(c2)C=O 271570a_100011290941_100009883415 [0,2,0,0,0,0|1,1,0]=4 1152 B14R2.11647 CSc1cccc2c1cc([nH]2)C=O 62a_200000210301_200010333833 [0,2,0,0,0,0|1,0,0]=3 1153 B14R2.11647 CSc1cccc2c1cc(s2)C=O 62a_100010109917_200000210301 [0,2,0,0,0,0|0,1,0]=3 1154 B14R2.11647 CSc1cccc2n1cc(n2)C=O 62a_100010238484_200000210301 [0,2,0,0,0,0|2,0,0]=4 1155 B14R2.11647 CSc1cccn2c1nc(c2)C=O 62a_100012360382_200000210301 [0,2,0,0,0,0|2,0,0]=4 1156 B14R2.11647 CSc1cccn2c1nc(c2)C=O 62a_200000210301_100012360382 [0,2,0,0,0,0|2,0,0]=4 1157 B14R2.11647 CSc1nccc2c1cc([nH]2)C=O 62a_200000210301_100009865985 [0,2,0,0,0,0|2,0,0]=4 1158 B14R2.11647 [13CH3]Sc1cccc2c1cc([nH]2)C=O 62a_200025704644_200010333833 [0,2,0,0,0,0|1,0,0]=3 1159 B14R2.11647 [13CH3]Sc1cccc2c1cc(s2)C=O 62a_100010109917_200025704644 [0,2,0,0,0,0|0,1,0]=3 1160 B14R2.11647 [13CH3]Sc1cccc2n1cc(n2)C=O 62a_100010238484_200025704644 [0,2,0,0,0,0|2,0,0]=4 1161 B14R2.11647 [13CH3]Sc1cccn2c1nc(c2)C=O 62a_100012360382_200025704644 [0,2,0,0,0,0|2,0,0]=4 1162 B14R2.11647 [13CH3]Sc1cccn2c1nc(c2)C=O 62a_200025704644_100012360382 [0,2,0,0,0,0|2,0,0]=4 1163 B14R2.11647 [13CH3]Sc1nccc2c1cc([nH]2)C=O 62a_200025704644_100009865985 [0,2,0,0,0,0|2,0,0]=4 1164 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [0,0,1,1,0,0|1,0,1]=4 1165 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [0,0,1,1,0,0|1,0,1]=4 1166 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [0,0,1,1,0,0|1,0,1]=4 1167 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [0,0,1,1,0,0|2,0,0]=4 1168 B12R2.196 Cn1ccc2c1cccc2O 271570a_203496583355_200011934935 [0,0,1,1,0,0|2,0,0]=4 1169 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,0,1,1,0,0|0,0,2]=4 1170 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,0,1,1,0,0|1,0,1]=4 1171 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [0,0,1,1,0,0|1,0,1]=4 1172 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [0,0,1,1,0,0|1,0,1]=4 1173 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [0,0,1,1,0,0|2,0,0]=4 1174 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [0,0,1,1,0,0|1,0,0]=3 1175 B12R2.1081 Oc1cccc2c1cccn2 271570a_203496583355_100011290932 [0,0,1,1,0,0|1,0,0]=3 1176 B12R2.1081 Oc1cccc2c1ccnc2 271570a_203496583355_100000186358 [0,0,1,1,0,0|2,0,0]=4 1177 B12R2.1081 Oc1cccc2c1cncc2 271570a_203496583355_100000685578 [0,0,1,1,0,0|2,0,0]=4 1178 B12R2.1081 Oc1cccc2c1cncn2 271570a_203496583355_100009814520 [0,0,1,1,0,0|2,0,0]=4 1179 B12R2.1081 Oc1cccc2c1nccc2 271570a_203496583355_100011215545 [0,0,1,1,0,0|2,0,0]=4 1180 B12R2.1081 Oc1cccc2c1nccn2 271570a_203496583355_100010003881 [0,0,1,1,0,0|2,0,0]=4 1181 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [0,0,1,1,0,0|2,0,0]=4 1182 B12R2.1081 Oc1ccnc2c1cccn2 271570a_203496583355_100000087570 [0,0,1,1,0,0|2,0,0]=4 1183 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [0,0,1,1,0,0|2,0,0]=4 1184 B12R2.1081 Oc1cncc2c1cccn2 271570a_203496583355_100010211308 [0,0,1,1,0,0|2,0,0]=4 1185 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [0,0,1,1,0,0|2,0,0]=4 1186 B12R2.1081 Oc1nccc2c1cccn2 271570a_203496583355_100000077681 [0,0,1,1,0,0|2,0,0]=4 1187 B14R3.14987 c1ccc2oc(cc2c1)C3CC3 271570a_100011220607_100010159458 [0,1,0,1,0,0|1,0,1]=4 1188 B12R1.18 O=CCOc1cccccc1=O 34a_100000036025_200009817547 [0,0,1,0,0,1|1,0,1]=4 1189 B12R1.18 O=CCOc1cccccc1=O 7a_100000036025_200015260668 [0,0,1,0,0,1|1,0,1]=4 1190 B12R1.27 C=C(C#N)COc1ccccc1 34a_100000210340_100000694840 [0,0,1,0,0,1|1,0,1]=4 1191 B12R1.58 C=Cc1cc(cc(c1)C=O)C=O 271570a_100011290941_100010197295 [0,0,1,0,0,1|2,0,0]=4 1192 B12R1.78 C=Cc1cc(ccc1C=O)C=O 271570a_100011290941_100015597013 [0,0,1,0,0,1|2,0,0]=4