0 B12R2.606 CN1Cc2ccc(cc2C1)O 2230a_100015195982_200000210301 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.606 CN1Cc2ccc(cc2C1)O 269982a_100015195982_200000210301 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.606 CN1Cc2ccc(cc2C1)O 34a_100015195982_200000210301 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.606 Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100011214893 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.606 Cc1cc2cc(ccc2s1)O 271570a_203496583355_100000695401 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.606 Cc1cc2cc(cnc2[nH]1)O 271570a_203496583355_100010202332 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.606 Cc1cc2ncc(cc2[nH]1)O 271570a_203496583355_100010168555 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.606 Cc1ccc2nc(sc2c1)O 271570a_203496583355_100010186437 [0,0,0,0,0,0|2,1,1]=4 9 B12R2.606 Cc1cn2cc(ccc2n1)O 271570a_203496583355_100000194050 [0,0,0,0,0,0|4,0,0]=4 10 B12R2.606 Cc1cn2ccc(cc2n1)O 271570a_203496583355_100000724326 [0,0,0,0,0,0|4,0,0]=4 11 B12R2.606 Cc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100011264012 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.606 Cc1nc2cc(ccc2o1)O 271570a_203496583355_100009816932 [0,0,0,0,0,0|2,1,0]=3 13 B12R2.606 Cc1nc2cc(ccc2s1)O 271570a_203496583355_100009813953 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.606 Cc1nc2cc(ccn2n1)O 271570a_203496583355_100010063680 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.606 Cc1nc2cc(cnc2o1)O 271570a_203496583355_100010178690 [0,0,0,0,0,0|3,1,0]=4 16 B12R2.606 Cc1nc2cc(cnc2s1)O 271570a_203496583355_100010178691 [0,0,0,0,0,0|3,0,0]=3 17 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [0,0,0,0,0,0|2,0,0]=2 18 B12R2.606 Cc1nc2ccc(cc2s1)O 271570a_203496583355_100009813144 [0,0,0,0,0,0|2,1,0]=3 19 B12R2.606 Cc1nc2ccc(cn2n1)O 271570a_203496583355_100009815719 [0,0,0,0,0,0|4,0,0]=4 20 B12R2.606 Cc1nc2ccc(nc2[nH]1)O 271570a_203496583355_100000079090 [0,0,0,0,0,0|4,0,0]=4 21 B12R2.606 Cc1nc2ncc(cc2[nH]1)O 271570a_203496583355_100000758206 [0,0,0,0,0,0|4,0,0]=4 22 B12R2.606 Cc1nc2ncc(cc2o1)O 271570a_203496583355_100010235748 [0,0,0,0,0,0|3,0,0]=3 23 B12R2.606 Cn1cc2cc(ccc2n1)O 271570a_203496583355_100009817163 [0,0,0,0,0,0|4,0,0]=4 24 B12R2.606 Cn1cc2ccc(cc2n1)O 271570a_203496583355_100009817169 [0,0,0,0,0,0|4,0,0]=4 25 B12R2.606 NC1Cc2ccc(cc2C1)O 271570a_203496583355_100015193702 [0,0,0,0,0,0|3,0,1]=4 26 B12R2.606 Nc1ccc2nc(sc2c1)O 271570a_203496583355_100010253933 [0,0,0,0,0,0|2,1,1]=4 27 B12R2.606 Nc1ccc2sc(nc2c1)O 271570a_203496583355_100010329861 [0,0,0,0,0,0|2,0,1]=3 28 B12R2.606 Nc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100000764686 [0,0,0,0,0,0|3,0,0]=3 29 B12R2.606 Nc1nc2cc(ccc2o1)O 271570a_203496583355_100000737949 [0,0,0,0,0,0|2,1,0]=3 30 B12R2.606 Nc1nc2cc(ccc2s1)O 271570a_203496583355_100011934045 [0,0,0,0,0,0|2,0,0]=2 31 B12R2.606 Nc1nc2cc(ccn2n1)O 271570a_203496583355_100000757011 [0,0,0,0,0,0|4,0,0]=4 32 B12R2.606 Nc1nc2cc(cnc2s1)O 271570a_203496583355_100010244814 [0,0,0,0,0,0|3,0,0]=3 33 B12R2.606 Nc1nc2cc(ncc2s1)O 271570a_203496583355_100009884557 [0,0,0,0,0,0|3,0,0]=3 34 B12R2.606 Nc1nc2ccc(cc2o1)O 271570a_203496583355_100010000678 [0,0,0,0,0,0|2,0,0]=2 35 B12R2.606 Nc1nc2ccc(cc2s1)O 271570a_203496583355_100102524914 [0,0,0,0,0,0|2,1,0]=3 36 B12R2.606 Nc1nc2ccc(cn2n1)O 271570a_203496583355_100000766472 [0,0,0,0,0,0|4,0,0]=4 37 B12R2.606 Nc1nc2ccc(nc2s1)O 271570a_203496583355_100000075896 [0,0,0,0,0,0|3,1,0]=4 38 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [0,0,0,0,0,0|2,0,0]=2 39 B12R2.606 O=C1Cc2cc(cnc2N1)O 271570a_203496583355_100010177629 [0,0,0,0,0,0|3,0,0]=3 40 B12R2.606 O=C1Cc2cc(ncc2N1)O 271570a_203496583355_100000104063 [0,0,0,0,0,0|3,0,0]=3 41 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [0,0,0,0,0,0|2,0,0]=2 42 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [0,0,0,0,0,0|2,0,0]=2 43 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [0,0,0,0,0,0|3,0,0]=3 44 B12R2.606 O=C1Cc2cnc(cc2N1)O 271570a_203496583355_100000089690 [0,0,0,0,0,0|3,0,0]=3 45 B12R2.606 O=C1Cc2cnc(nc2N1)O 271570a_203496583355_100000086852 [0,0,0,0,0,0|4,0,0]=4 46 B12R2.606 O=C1Cc2nc(ccc2N1)O 271570a_203496583355_100000087150 [0,0,0,0,0,0|3,0,0]=3 47 B12R2.606 O=C1Cc2ncc(cc2N1)O 271570a_203496583355_100010168558 [0,0,0,0,0,0|3,0,0]=3 48 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [0,0,0,0,0,0|1,1,0]=2 49 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [0,0,0,0,0,0|1,0,0]=1 50 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [0,0,0,0,0,0|2,0,0]=2 51 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [0,0,0,0,0,0|1,0,0]=1 52 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [0,0,0,0,0,0|1,1,0]=2 53 B12R2.606 O=c1[nH]c2ccc(nc2[nH]1)O 271570a_203496583355_100000084209 [0,0,0,0,0,0|3,0,0]=3 54 B12R2.606 O=c1[nH]c2ncc(cc2o1)O 271570a_203496583355_100000721845 [0,0,0,0,0,0|2,0,0]=2 55 B12R2.606 Oc1cc2[nH]c(nc2cn1)O 271570a_203496583355_100010516660 [0,0,0,0,0,0|3,0,1]=4 56 B12R2.606 Oc1cc2cc(ccc2[nH]1)Br 271570a_203496583355_100011012855 [0,0,0,0,0,0|3,0,1]=4 57 B12R2.606 Oc1cc2cc(ccc2s1)Br 271570a_203496583355_200010198765 [0,0,0,0,0,0|2,0,1]=3 58 B12R2.606 Oc1ccc2c(c1)CC(C2)O 271570a_203496583355_100010161096 [0,0,0,0,0,0|2,0,2]=4 59 B12R2.606 Oc1ccc2nc(sc2c1)Cl 271570a_203496583355_100010163703 [0,0,0,0,0,0|2,1,0]=3 60 B12R2.606 Oc1ccc2nc(sc2c1)O 271570a_203496583355_100010063415 [0,0,0,0,0,0|1,1,1]=3 61 B12R2.606 Oc1cnc2[nH]c(nc2c1)O 271570a_203496583355_100000755142 [0,0,0,0,0,0|3,0,1]=4 62 B12R2.606 Oc1nc2cc(ccc2s1)F 271570a_203496583355_200010206605 [0,0,0,0,0,0|2,0,1]=3 63 B12R2.606 Oc1nc2ccc(cc2s1)F 271570a_203496583355_100000751617 [0,0,0,0,0,0|2,1,1]=4 64 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)O 2230a_100015195982_200025704644 [0,0,0,0,0,0|4,0,0]=4 65 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)O 269982a_100015195982_200025704644 [0,0,0,0,0,0|4,0,0]=4 66 B12R2.606 [13CH3]N1Cc2ccc(cc2C1)O 34a_100015195982_200025704644 [0,0,0,0,0,0|4,0,0]=4 67 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,0,0|2,0,1]=4 68 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,0,0|1,0,1]=3 69 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,0,0|1,0,1]=3 70 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,0,0,0|2,0,1]=4 71 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [1,0,0,0,0,0|1,0,1]=3 72 B11R2.10 Oc1nc2cccnc2s1 271570a_203496583355_100010188088 [1,0,0,0,0,0|2,0,1]=4 73 B11R2.36 Oc1cc2[nH]ccc2cn1 271570a_203496583355_100000089685 [1,0,0,0,0,0|3,0,0]=4 74 B11R2.36 Oc1cc2cc[nH]c2cn1 271570a_203496583355_100009864809 [1,0,0,0,0,0|3,0,0]=4 75 B11R2.36 Oc1cc2nc[nH]c2cn1 271570a_203496583355_100000070173 [1,0,0,0,0,0|3,0,0]=4 76 B11R2.36 Oc1cc2sccc2cn1 271570a_203496583355_200016184645 [1,0,0,0,0,0|2,1,0]=4 77 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [1,0,0,0,0,0|2,0,0]=3 78 B11R2.36 Oc1ccc2[nH]ccc2n1 271570a_203496583355_100000087148 [1,0,0,0,0,0|3,0,0]=4 79 B11R2.36 Oc1ccc2[nH]cnc2c1 271570a_203496583355_100011265325 [1,0,0,0,0,0|2,0,0]=3 80 B11R2.36 Oc1ccc2[nH]ncc2c1 271570a_203496583355_100000049815 [1,0,0,0,0,0|3,0,0]=4 81 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [1,0,0,0,0,0|2,0,0]=3 82 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [1,0,0,0,0,0|2,0,0]=3 83 B11R2.36 Oc1ccc2c(c1)CCC2 271570a_203496583355_100000745594 [1,0,0,0,0,0|2,0,1]=4 84 B11R2.36 Oc1ccc2c(c1)CCN2 271570a_203496583355_100000026929 [1,0,0,0,0,0|2,0,1]=4 85 B11R2.36 Oc1ccc2c(c1)CCO2 271570a_203496583355_100000729065 [1,0,0,0,0,0|1,1,1]=4 86 B11R2.36 Oc1ccc2c(c1)CNC2 271570a_203496583355_100000702344 [1,0,0,0,0,0|3,0,0]=4 87 B11R2.36 Oc1ccc2c(c1)COC2 271570a_203496583355_100000698232 [1,0,0,0,0,0|3,0,0]=4 88 B11R2.36 Oc1ccc2c(c1)NCC2 271570a_203496583355_100000754641 [1,0,0,0,0,0|2,0,1]=4 89 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [1,0,0,0,0,0|1,0,1]=3 90 B11R2.36 Oc1ccc2c(c1)OCO2 271570a_203496583355_100000688060 [1,0,0,0,0,0|0,1,1]=3 91 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [1,0,0,0,0,0|2,0,0]=3 92 B11R2.36 Oc1ccc2cc[nH]c2n1 271570a_203496583355_100009814870 [1,0,0,0,0,0|3,0,0]=4 93 B11R2.36 Oc1ccc2ccnn2c1 271570a_203496583355_100009820231 [1,0,0,0,0,0|3,0,0]=4 94 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [1,0,0,0,0,0|1,0,0]=2 95 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [1,0,0,0,0,0|1,1,0]=3 96 B11R2.36 Oc1ccc2cn[nH]c2c1 271570a_203496583355_100000049514 [1,0,0,0,0,0|3,0,0]=4 97 B11R2.36 Oc1ccc2cnoc2c1 271570a_203496583355_100009817722 [1,0,0,0,0,0|2,0,0]=3 98 B11R2.36 Oc1ccc2cscc2c1 271570a_203496583355_200010760811 [1,0,0,0,0,0|3,0,0]=4 99 B11R2.36 Oc1ccc2csnc2c1 271570a_203496583355_100010170880 [1,0,0,0,0,0|3,0,0]=4 100 B11R2.36 Oc1ccc2nc[nH]c2n1 271570a_203496583355_100000077665 [1,0,0,0,0,0|3,0,0]=4 101 B11R2.36 Oc1ccc2nccn2c1 271570a_203496583355_100000746083 [1,0,0,0,0,0|3,0,0]=4 102 B11R2.36 Oc1ccc2ncnn2c1 271570a_203496583355_100009816971 [1,0,0,0,0,0|3,0,0]=4 103 B11R2.36 Oc1ccc2ncoc2c1 271570a_203496583355_100009817590 [1,0,0,0,0,0|1,0,0]=2 104 B11R2.36 Oc1ccc2ncsc2c1 271570a_203496583355_100009816678 [1,0,0,0,0,0|1,1,0]=3 105 B11R2.36 Oc1ccc2ncsc2n1 271570a_203496583355_100010381354 [1,0,0,0,0,0|2,1,0]=4 106 B11R2.36 Oc1ccc2nn[nH]c2c1 271570a_203496583355_100009817464 [1,0,0,0,0,0|3,0,0]=4 107 B11R2.36 Oc1ccc2nonc2c1 271570a_203496583355_100009814275 [1,0,0,0,0,0|3,0,0]=4 108 B11R2.36 Oc1ccc2nsnc2c1 271570a_203496583355_100009814274 [1,0,0,0,0,0|3,0,0]=4 109 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [1,0,0,0,0,0|1,1,0]=3 110 B11R2.36 Oc1ccc2occc2n1 271570a_203496583355_100009851292 [1,0,0,0,0,0|2,1,0]=4 111 B11R2.36 Oc1ccc2ocnc2c1 271570a_203496583355_100009816175 [1,0,0,0,0,0|1,1,0]=3 112 B11R2.36 Oc1ccc2oncc2c1 271570a_203496583355_100009817723 [1,0,0,0,0,0|2,1,0]=4 113 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [1,0,0,0,0,0|1,0,0]=2 114 B11R2.36 Oc1ccc2sccc2n1 271570a_203496583355_100012000956 [1,0,0,0,0,0|2,0,0]=3 115 B11R2.36 Oc1ccc2scnc2c1 271570a_203496583355_100010005895 [1,0,0,0,0,0|1,0,0]=2 116 B11R2.36 Oc1ccn2ccnc2c1 271570a_203496583355_100009816855 [1,0,0,0,0,0|3,0,0]=4 117 B11R2.36 Oc1ccn2nccc2c1 271570a_203496583355_100000763084 [1,0,0,0,0,0|3,0,0]=4 118 B11R2.36 Oc1ccn2ncnc2c1 271570a_203496583355_100009819723 [1,0,0,0,0,0|3,0,0]=4 119 B11R2.36 Oc1cnc2[nH]ccc2c1 271570a_203496583355_100000760471 [1,0,0,0,0,0|3,0,0]=4 120 B11R2.36 Oc1cnc2cc[nH]c2c1 271570a_203496583355_100009818992 [1,0,0,0,0,0|3,0,0]=4 121 B11R2.36 Oc1cnc2nc[nH]c2c1 271570a_203496583355_100000760087 [1,0,0,0,0,0|3,0,0]=4 122 B11R2.36 Oc1cnc2ncoc2c1 271570a_203496583355_100000721906 [1,0,0,0,0,0|2,0,0]=3 123 B11R2.36 Oc1cnc2sccc2c1 271570a_203496583355_100010135160 [1,0,0,0,0,0|2,0,0]=3 124 B11R2.36 Oc1cnc2scnc2c1 271570a_203496583355_100010178689 [1,0,0,0,0,0|2,0,0]=3 125 B11R2.36 Oc1ncc2sccc2n1 271570a_203496583355_100000117912 [1,0,0,0,0,0|3,0,0]=4 126 B13R2.43 C=Cc1cc2cc(ccc2s1)Br 271570a_100011290941_200010198765 [0,1,0,0,0,0|3,0,0]=4 127 B13R2.43 C=Cc1nc2cc(ccc2s1)F 271570a_100011290941_200010206605 [0,1,0,0,0,0|3,0,0]=4 128 B13R2.43 C=Cc1nc2cc(ccc2s1)N 271570a_100011290941_100010329861 [0,1,0,0,0,0|3,0,0]=4 129 B13R2.43 C=Cc1nc2ccc(cc2s1)O 271570a_100011290941_100010063415 [0,1,0,0,0,0|2,1,0]=4 130 B13R2.43 CCc1cc2cc(ccc2o1)O 271570a_203496583355_200010233821 [0,1,0,0,0,0|2,1,0]=4 131 B13R2.43 CCc1nc2cc(ccc2o1)O 271570a_203496583355_100009817032 [0,1,0,0,0,0|2,1,0]=4 132 B13R2.43 CNc1nc2cc(ccc2s1)F 27a_100102657272_200010206605 [0,1,0,0,0,0|3,0,0]=4 133 B13R2.43 CNc1nc2cc(ccc2s1)N 27a_100102657272_100010329861 [0,1,0,0,0,0|3,0,0]=4 134 B13R2.43 CNc1nc2ccc(cc2s1)O 271570a_203496583355_100012351673 [0,1,0,0,0,0|2,1,0]=4 135 B13R2.43 CNc1nc2ccc(cc2s1)O 27a_100102657272_100010063415 [0,1,0,0,0,0|2,1,0]=4 136 B13R2.43 CSc1cc2cc(ccc2s1)Br 62a_200000210301_200010198765 [0,1,0,0,0,0|2,1,0]=4 137 B13R2.43 CSc1cc2cc(ccc2s1)Br 62a_200010198765_200000210301 [0,1,0,0,0,0|2,1,0]=4 138 B13R2.43 CSc1nc2cc(ccc2s1)F 62a_200000210301_200010206605 [0,1,0,0,0,0|2,1,0]=4 139 B13R2.43 CSc1nc2cc(ccc2s1)F 62a_200010206605_200000210301 [0,1,0,0,0,0|2,1,0]=4 140 B13R2.43 CSc1nc2cc(ccc2s1)N 62a_100010329861_200000210301 [0,1,0,0,0,0|2,1,0]=4 141 B13R2.43 CSc1nc2cc(ccc2s1)N 62a_200000210301_100010329861 [0,1,0,0,0,0|2,1,0]=4 142 B13R2.43 CSc1nc2cc(ccc2s1)O 271570a_203496583355_200010003198 [0,1,0,0,0,0|1,1,0]=3 143 B13R2.43 CSc1nc2ccc(cc2s1)O 271570a_203496583355_100010193624 [0,1,0,0,0,0|1,2,0]=4 144 B13R2.43 CSc1nc2ccc(cc2s1)O 62a_200000210301_100010063415 [0,1,0,0,0,0|1,2,0]=4 145 B13R2.43 N#Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100010261159 [0,1,0,0,0,0|3,0,0]=4 146 B13R2.43 N#Cc1cc2cc(ccc2s1)O 271570a_203496583355_200010238524 [0,1,0,0,0,0|2,0,0]=3 147 B13R2.43 N#Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010739539 [0,1,0,0,0,0|3,0,0]=4 148 B13R2.43 NNc1nc2ccc(cc2s1)O 271570a_203496583355_100009816745 [0,1,0,0,0,0|2,1,0]=4 149 B13R2.43 O=Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009820874 [0,1,0,0,0,0|2,0,0]=3 150 B13R2.43 O=Cc1cc2cc(ccc2o1)O 271570a_203496583355_100000755920 [0,1,0,0,0,0|1,1,0]=3 151 B13R2.43 O=Cc1cc2cc(ccc2s1)O 271570a_203496583355_100010238522 [0,1,0,0,0,0|1,0,0]=2 152 B13R2.43 O=Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000736022 [0,1,0,0,0,0|2,0,0]=3 153 B13R2.43 O=Cc1cc2ccc(cc2s1)O 271570a_203496583355_100009814784 [0,1,0,0,0,0|1,1,0]=3 154 B13R2.43 O=Cc1cn2cc(ccc2n1)O 271570a_203496583355_100012351728 [0,1,0,0,0,0|3,0,0]=4 155 B13R2.43 O=Cc1cn2ccc(cc2n1)O 271570a_203496583355_100000731868 [0,1,0,0,0,0|3,0,0]=4 156 B13R2.43 O=Cc1nc2ccc(cc2[nH]1)O 271570a_203496583355_200011361486 [0,1,0,0,0,0|2,0,0]=3 157 B13R2.43 OCc1cc2cc(ccc2o1)O 271570a_203496583355_100011934623 [0,1,0,0,0,0|1,1,1]=4 158 B13R2.43 OCc1cc2cc(ccc2s1)O 271570a_203496583355_100010255381 [0,1,0,0,0,0|1,0,1]=3 159 B13R2.43 OCc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000735881 [0,1,0,0,0,0|2,0,1]=4 160 B13R2.43 OCc1cc2ccc(cc2s1)O 271570a_203496583355_100010244134 [0,1,0,0,0,0|1,1,1]=4 161 B13R2.43 OCc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100000698547 [0,1,0,0,0,0|2,0,1]=4 162 B13R2.43 [13CH3]Sc1cc2cc(ccc2s1)Br 62a_200010198765_200025704644 [0,1,0,0,0,0|2,1,0]=4 163 B13R2.43 [13CH3]Sc1cc2cc(ccc2s1)Br 62a_200025704644_200010198765 [0,1,0,0,0,0|2,1,0]=4 164 B13R2.43 [13CH3]Sc1nc2cc(ccc2s1)F 62a_200010206605_200025704644 [0,1,0,0,0,0|2,1,0]=4 165 B13R2.43 [13CH3]Sc1nc2cc(ccc2s1)F 62a_200025704644_200010206605 [0,1,0,0,0,0|2,1,0]=4 166 B13R2.43 [13CH3]Sc1nc2cc(ccc2s1)N 62a_100010329861_200025704644 [0,1,0,0,0,0|2,1,0]=4 167 B13R2.43 [13CH3]Sc1nc2cc(ccc2s1)N 62a_200025704644_100010329861 [0,1,0,0,0,0|2,1,0]=4 168 B13R2.43 [13CH3]Sc1nc2ccc(cc2s1)O 62a_200025704644_100010063415 [0,1,0,0,0,0|1,2,0]=4 169 B13R2.2121 C=Cc1ccc2[nH]c(=O)[nH]c2c1 271570a_100011290941_100011221360 [0,1,0,0,0,0|3,0,0]=4 170 B13R2.2121 C=Cc1ccc2[nH]c(=O)oc2c1 271570a_100011290941_100000697996 [0,1,0,0,0,0|2,0,0]=3 171 B13R2.2121 C=Cc1ccc2[nH]c(=O)sc2c1 271570a_100011290941_100009813980 [0,1,0,0,0,0|2,1,0]=4 172 B13R2.2121 C=Cc1ccc2c(c1)CC(=O)C2 271570a_100011290941_100010185598 [0,1,0,0,0,0|3,0,0]=4 173 B13R2.2121 C=Cc1ccc2c(c1)CC(=O)N2 271570a_100011290941_100000754858 [0,1,0,0,0,0|3,0,0]=4 174 B13R2.2121 C=Cc1ccc2c(c1)NC(=O)C2 271570a_100011290941_100000760487 [0,1,0,0,0,0|3,0,0]=4 175 B13R2.2121 C=Cc1ccc2nc(oc2c1)C 271570a_100011290941_100010171164 [0,1,0,0,0,0|3,0,0]=4 176 B13R2.2121 C=Cc1ccc2nc(oc2c1)N 271570a_100011290941_100010000678 [0,1,0,0,0,0|3,0,0]=4 177 B13R2.2121 C=Cc1ccc2oc(=O)[nH]c2c1 271570a_100011290941_100000764829 [0,1,0,0,0,0|2,1,0]=4 178 B13R2.2121 C=Cc1ccc2sc(=O)[nH]c2c1 271570a_100011290941_100000239354 [0,1,0,0,0,0|2,0,0]=3 179 B13R2.2121 C=Cc1ccc2sc(cc2c1)C 271570a_100011290941_100000695401 [0,1,0,0,0,0|3,0,0]=4 180 B13R2.2121 C=Cc1ccc2sc(nc2c1)C 271570a_100011290941_100009813953 [0,1,0,0,0,0|3,0,0]=4 181 B13R2.2121 C=Cc1ccc2sc(nc2c1)N 271570a_100011290941_100011934045 [0,1,0,0,0,0|3,0,0]=4 182 B13R2.2121 C=Cc1cnc2[nH]c(=O)oc2c1 271570a_100011290941_100000721845 [0,1,0,0,0,0|3,0,0]=4 183 B13R2.2121 CNc1ccc2nc(oc2c1)C 34a_100000736495_200000210301 [0,1,0,0,0,0|3,0,0]=4 184 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200000210301 [0,1,0,0,0,0|1,0,0]=2 185 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 34a_100000073708_200000210301 [0,1,0,0,0,0|3,0,0]=4 186 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 7a_100000073708_200000210301 [0,1,0,0,0,0|3,0,0]=4 187 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 34a_100000035078_200000210301 [0,1,0,0,0,0|1,1,0]=3 188 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 7a_100000035078_200000210301 [0,1,0,0,0,0|1,1,0]=3 189 B13R2.2121 COc1ccc2cc([nH]c2c1)C 34a_100000058111_200000210301 [0,1,0,0,0,0|3,0,0]=4 190 B13R2.2121 COc1ccc2cc(oc2c1)C 34a_100000095638_200000210301 [0,1,0,0,0,0|2,0,0]=3 191 B13R2.2121 COc1ccc2cc(oc2c1)C 7a_100000095638_200000210301 [0,1,0,0,0,0|2,0,0]=3 192 B13R2.2121 COc1ccc2nc(oc2c1)C 34a_100000116946_200000210301 [0,1,0,0,0,0|2,0,0]=3 193 B13R2.2121 COc1ccc2nc(oc2c1)C 7a_100000116946_200000210301 [0,1,0,0,0,0|2,0,0]=3 194 B13R2.2121 COc1ccc2nc(sc2c1)Br 7a_100010063415_200000210301 [0,1,0,0,0,0|2,1,0]=4 195 B13R2.2121 COc1ccc2nc(sc2c1)C 34a_100000008955_200000210301 [0,1,0,0,0,0|2,1,0]=4 196 B13R2.2121 COc1ccc2nc(sc2c1)C 7a_100000008955_200000210301 [0,1,0,0,0,0|2,1,0]=4 197 B13R2.2121 COc1ccc2nc(sc2c1)N 7a_100000012012_200000210301 [0,1,0,0,0,0|2,1,0]=4 198 B13R2.2121 COc1ccc2nc(sc2c1)O 271570a_203496583355_100010195960 [0,1,0,0,0,0|1,1,1]=4 199 B13R2.2121 COc1ccc2oc(nc2c1)C 34a_100000102623_200000210301 [0,1,0,0,0,0|2,1,0]=4 200 B13R2.2121 COc1ccc2oc(nc2c1)C 7a_100000102623_200000210301 [0,1,0,0,0,0|2,1,0]=4 201 B13R2.2121 COc1ccc2oc(nc2c1)Cl 34a_100010673232_200000210301 [0,1,0,0,0,0|2,1,0]=4 202 B13R2.2121 COc1ccc2oc(nc2c1)Cl 7a_100010673232_200000210301 [0,1,0,0,0,0|2,1,0]=4 203 B13R2.2121 COc1ccc2sc(nc2c1)C 34a_100000031546_200000210301 [0,1,0,0,0,0|2,0,0]=3 204 B13R2.2121 COc1ccc2sc(nc2c1)C 7a_100000031546_200000210301 [0,1,0,0,0,0|2,0,0]=3 205 B13R2.2121 COc1ccc2sc(nc2c1)N 7a_100000066538_200000210301 [0,1,0,0,0,0|2,0,0]=3 206 B13R2.2121 CSc1ccc2[nH]c(=O)[nH]c2c1 62a_200000210301_200011356815 [0,1,0,0,0,0|2,1,0]=4 207 B13R2.2121 CSc1ccc2[nH]c(=O)oc2c1 62a_200000210301_100000697996 [0,1,0,0,0,0|1,1,0]=3 208 B13R2.2121 CSc1ccc2c(c1)CC(=O)C2 62a_100010185598_200000210301 [0,1,0,0,0,0|2,1,0]=4 209 B13R2.2121 CSc1ccc2c(c1)CC(=O)N2 62a_200000210301_100000754858 [0,1,0,0,0,0|2,1,0]=4 210 B13R2.2121 CSc1ccc2c(c1)NC(=O)C2 62a_200000210301_100000760487 [0,1,0,0,0,0|2,1,0]=4 211 B13R2.2121 CSc1ccc2nc(oc2c1)C 62a_200000210301_100010171164 [0,1,0,0,0,0|2,1,0]=4 212 B13R2.2121 CSc1ccc2sc(cc2c1)C 62a_100000695401_200000210301 [0,1,0,0,0,0|2,1,0]=4 213 B13R2.2121 CSc1ccc2sc(cc2c1)C 62a_200000210301_100000695401 [0,1,0,0,0,0|2,1,0]=4 214 B13R2.2121 CSc1ccc2sc(nc2c1)C 62a_100009813953_200000210301 [0,1,0,0,0,0|2,1,0]=4 215 B13R2.2121 CSc1ccc2sc(nc2c1)C 62a_200000210301_100009813953 [0,1,0,0,0,0|2,1,0]=4 216 B13R2.2121 CSc1ccc2sc(nc2c1)N 62a_100011934045_200000210301 [0,1,0,0,0,0|2,1,0]=4 217 B13R2.2121 CSc1cnc2[nH]c(=O)oc2c1 62a_200000210301_100000721845 [0,1,0,0,0,0|2,1,0]=4 218 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 34a_100000073708_200025704644 [0,1,0,0,0,0|3,0,0]=4 219 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 7a_100000073708_200025704644 [0,1,0,0,0,0|3,0,0]=4 220 B13R2.2121 Cc1cc2cc(ccc2s1)S[13CH3] 62a_100000695401_200025704644 [0,1,0,0,0,0|2,1,0]=4 221 B13R2.2121 Cc1cc2cc(ccc2s1)S[13CH3] 62a_200025704644_100000695401 [0,1,0,0,0,0|2,1,0]=4 222 B13R2.2121 Cc1cc2ccc(cc2[nH]1)O[13CH3] 34a_100000058111_200025704644 [0,1,0,0,0,0|3,0,0]=4 223 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 34a_100000095638_200025704644 [0,1,0,0,0,0|2,0,0]=3 224 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 7a_100000095638_200025704644 [0,1,0,0,0,0|2,0,0]=3 225 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 34a_100000102623_200025704644 [0,1,0,0,0,0|2,1,0]=4 226 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 7a_100000102623_200025704644 [0,1,0,0,0,0|2,1,0]=4 227 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 34a_100000031546_200025704644 [0,1,0,0,0,0|2,0,0]=3 228 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 7a_100000031546_200025704644 [0,1,0,0,0,0|2,0,0]=3 229 B13R2.2121 Cc1nc2cc(ccc2s1)S[13CH3] 62a_100009813953_200025704644 [0,1,0,0,0,0|2,1,0]=4 230 B13R2.2121 Cc1nc2cc(ccc2s1)S[13CH3] 62a_200025704644_100009813953 [0,1,0,0,0,0|2,1,0]=4 231 B13R2.2121 Cc1nc2ccc(cc2o1)N[13CH3] 34a_100000736495_200025704644 [0,1,0,0,0,0|3,0,0]=4 232 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 34a_100000116946_200025704644 [0,1,0,0,0,0|2,0,0]=3 233 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 7a_100000116946_200025704644 [0,1,0,0,0,0|2,0,0]=3 234 B13R2.2121 Cc1nc2ccc(cc2o1)S[13CH3] 62a_200025704644_100010171164 [0,1,0,0,0,0|2,1,0]=4 235 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 34a_100000008955_200025704644 [0,1,0,0,0,0|2,1,0]=4 236 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 7a_100000008955_200025704644 [0,1,0,0,0,0|2,1,0]=4 237 B13R2.2121 [13CH3]Oc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200025704644 [0,1,0,0,0,0|1,0,0]=2 238 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 34a_100000035078_200025704644 [0,1,0,0,0,0|1,1,0]=3 239 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 7a_100000035078_200025704644 [0,1,0,0,0,0|1,1,0]=3 240 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)Br 7a_100010063415_200025704644 [0,1,0,0,0,0|2,1,0]=4 241 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)N 7a_100000012012_200025704644 [0,1,0,0,0,0|2,1,0]=4 242 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 34a_100010673232_200025704644 [0,1,0,0,0,0|2,1,0]=4 243 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 7a_100010673232_200025704644 [0,1,0,0,0,0|2,1,0]=4 244 B13R2.2121 [13CH3]Oc1ccc2sc(nc2c1)N 7a_100000066538_200025704644 [0,1,0,0,0,0|2,0,0]=3 245 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)[nH]c2c1 62a_200025704644_200011356815 [0,1,0,0,0,0|2,1,0]=4 246 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)oc2c1 62a_200025704644_100000697996 [0,1,0,0,0,0|1,1,0]=3 247 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)C2 62a_100010185598_200025704644 [0,1,0,0,0,0|2,1,0]=4 248 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)N2 62a_200025704644_100000754858 [0,1,0,0,0,0|2,1,0]=4 249 B13R2.2121 [13CH3]Sc1ccc2c(c1)NC(=O)C2 62a_200025704644_100000760487 [0,1,0,0,0,0|2,1,0]=4 250 B13R2.2121 [13CH3]Sc1ccc2sc(nc2c1)N 62a_100011934045_200025704644 [0,1,0,0,0,0|2,1,0]=4 251 B13R2.2121 [13CH3]Sc1cnc2[nH]c(=O)oc2c1 62a_200025704644_100000721845 [0,1,0,0,0,0|2,1,0]=4 252 B13R2.3028 CC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_100010251565 [0,1,0,0,0,0|2,0,0]=3 253 B13R2.3028 CN1C(=O)Cc2c1cc(cc2)O 271570a_203496583355_100010285470 [0,1,0,0,0,0|2,0,0]=3 254 B13R2.3028 Cc1[nH]c2ccc(cc2c1C)O 271570a_203496583355_100012262263 [0,1,0,0,0,0|3,0,0]=4 255 B13R2.3028 Cc1nc2ccc(cc2n1C)O 271570a_203496583355_200010218347 [0,1,0,0,0,0|3,0,0]=4 256 B13R2.3028 Cn1c(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100010393459 [0,1,0,0,0,0|2,0,0]=3 257 B13R2.3028 Nc1sc2ccc(cc2[n+]1[O-])O 271570a_203496583355_200010069761 [0,1,0,0,0,0|2,0,0]=3 258 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,0,0,0|2,0,0]=3 259 B13R2.3028 O=C1Nc2ncc(cc2C1=O)O 271570a_203496583355_100010174890 [0,1,0,0,0,0|3,0,0]=4 260 B13R2.3050 Cc1c(ccc2c1nc(s2)N)O 271570a_203496583355_200013315943 [0,1,0,0,0,0|2,0,0]=3 261 B13R2.3050 Cc1ccc2c(c1O)CC(=O)N2 271570a_203496583355_100015548004 [0,1,0,0,0,0|3,0,0]=4 262 B13R2.3050 Cc1ccc2sc(nc2c1O)N 271570a_203496583355_100012962237 [0,1,0,0,0,0|3,0,0]=4 263 B13R2.3050 Nc1nc2c(c(ccc2s1)O)F 271570a_203496583355_200010762653 [0,1,0,0,0,0|2,0,0]=3 264 B13R2.3051 CC1(Oc2ccc(cc2O1)O)C 271570a_203496583355_100010187540 [0,1,0,0,0,0|1,1,1]=4 265 B13R2.3051 Oc1ccc2c(c1)OC(O2)(F)F 271570a_203496583355_100009813929 [0,1,0,0,0,0|1,1,1]=4 266 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,1,0,0,0,0|2,0,0]=3 267 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [0,1,0,0,0,0|2,0,0]=3 268 B13R2.5190 Cc1nc2cc(ccc2n1C)O 271570a_203496583355_100000729442 [0,1,0,0,0,0|3,0,0]=4 269 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,1,0,0,0,0|1,0,0]=2 270 B13R2.5190 Cn1c(nc2c1ccc(c2)O)O 271570a_203496583355_100013992850 [0,1,0,0,0,0|2,0,1]=4 271 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,0,0,0|2,0,0]=3 272 B13R2.5397 Cc1nc2c(cc(cc2s1)O)F 271570a_203496583355_100000719245 [0,1,0,0,0,0|2,1,0]=4 273 B13R2.5397 Nc1nc2c(cc(cc2s1)O)F 271570a_203496583355_100011246640 [0,1,0,0,0,0|2,1,0]=4 274 B13R2.5397 Nc1nc2cc(cc(c2[nH]1)O)O 271570a_203496583355_100015644475 [0,1,0,0,0,0|3,0,0]=4 275 B13R2.13083 Cc1cc2[nH]c(=O)[nH]c2cc1O 271570a_203496583355_100010107294 [0,1,0,0,0,0|2,0,0]=3 276 B13R2.13083 Cc1cc2c(cc1O)CC(=O)N2 271570a_203496583355_100010201617 [0,1,0,0,0,0|2,0,0]=3 277 B13R2.13083 Cc1cc2cc(c(cc2[nH]1)F)O 271570a_203496583355_200010763346 [0,1,0,0,0,0|3,0,0]=4 278 B13R2.13083 Cc1nc2cc(c(cc2[nH]1)F)O 271570a_203496583355_100000733457 [0,1,0,0,0,0|3,0,0]=4 279 B13R2.13083 Cc1nc2cc(c(cc2s1)O)C 271570a_203496583355_200010762721 [0,1,0,0,0,0|2,1,0]=4 280 B13R2.13083 Nc1nc2cc(c(cc2s1)F)O 271570a_203496583355_100010744686 [0,1,0,0,0,0|2,0,0]=3 281 B13R2.13083 O=C1Cc2cc(c(cc2N1)Cl)O 271570a_203496583355_100012929135 [0,1,0,0,0,0|2,0,0]=3 282 B13R2.13083 O=C1Cc2cc(c(cc2N1)F)O 271570a_203496583355_100000727509 [0,1,0,0,0,0|2,0,0]=3 283 B13R2.13083 O=C1Cc2cc(c(cc2N1)O)F 271570a_203496583355_200010218348 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [0,0,1,0,0,0|3,0,0]=4 285 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,0,1,0,0,0|3,0,0]=4 286 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,0,1,0,0,0|3,0,0]=4 287 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,0,1,0,0,0|3,0,0]=4 288 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,0,1,0,0,0|3,0,0]=4 289 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,0,1,0,0,0|3,0,0]=4 290 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,0,1,0,0,0|3,0,0]=4 291 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,0,1,0,0,0|3,0,0]=4 292 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,0,1,0,0,0|3,0,0]=4 293 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,0,1,0,0,0|3,0,0]=4 294 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,0,1,0,0,0|3,0,0]=4 295 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,0,1,0,0,0|2,0,0]=3 296 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,0,1,0,0,0|2,0,0]=3 297 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,0,1,0,0,0|3,0,0]=4 298 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,0,1,0,0,0|3,0,0]=4 299 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,0,1,0,0,0|3,0,0]=4 300 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,0,1,0,0,0|3,0,0]=4 301 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,0,1,0,0,0|3,0,0]=4 302 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,0,1,0,0,0|3,0,0]=4 303 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,0,1,0,0,0|3,0,0]=4 304 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,0,1,0,0,0|3,0,0]=4 305 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,0,1,0,0,0|3,0,0]=4 306 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,0,1,0,0,0|3,0,0]=4 307 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,0,1,0,0,0|3,0,0]=4 308 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,0,1,0,0,0|3,0,0]=4 309 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,0,1,0,0,0|3,0,0]=4 310 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,0,1,0,0,0|3,0,0]=4 311 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,0,1,0,0,0|3,0,0]=4 312 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,0,1,0,0,0|3,0,0]=4 313 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,0,1,0,0,0|3,0,0]=4 314 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,0,1,0,0,0|3,0,0]=4 315 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,0,1,0,0,0|3,0,0]=4 316 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,0,1,0,0,0|3,0,0]=4 317 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,0,1,0,0,0|2,0,0]=3 318 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,0,1,0,0,0|2,0,0]=3 319 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,0,1,0,0,0|3,0,0]=4 320 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,0,1,0,0,0|3,0,0]=4 321 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,0,1,0,0,0|1,1,0]=3 322 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,0,1,0,0,0|1,0,0]=2 323 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [0,0,1,0,0,0|1,2,0]=4 324 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [0,0,1,0,0,0|2,0,1]=4 325 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [0,0,1,0,0,0|2,0,1]=4 326 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,0,1,0,0,0|3,0,0]=4 327 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,0,1,0,0,0|2,0,0]=3 328 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,0,1,0,0,0|3,0,0]=4 329 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,0,1,0,0,0|3,0,0]=4 330 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,0,1,0,0,0|2,0,0]=3 331 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [0,0,1,0,0,0|3,0,0]=4 332 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [0,0,1,0,0,0|3,0,0]=4 333 B11R1.20 Oc1ccc(cc1)SC(F)F 271570a_203496583355_100000178776 [0,0,1,0,0,0|2,0,1]=4 334 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,0,1,0,0,0|3,0,0]=4 335 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,0,1,0,0,0|3,0,0]=4 336 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,0,1,0,0,0|3,0,0]=4 337 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,0,1,0,0,0|3,0,0]=4 338 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,0,1,0,0,0|2,0,0]=3 339 B11R1.81 C=C=Cc1ccc(cc1O)O 271570a_100015277604_100009813921 [0,0,1,0,0,0|2,0,1]=4 340 B11R1.81 CC=Cc1ccc(cc1Br)O 271570a_100016259895_100000701344 [0,0,1,0,0,0|3,0,0]=4 341 B11R1.81 CC=Cc1ccc(cc1C)O 271570a_100016259895_100000729255 [0,0,1,0,0,0|3,0,0]=4 342 B11R1.81 CC=Cc1ccc(cc1Cl)O 271570a_100016259895_100000047559 [0,0,1,0,0,0|3,0,0]=4 343 B11R1.81 CC=Cc1ccc(cc1F)O 271570a_100016259895_100000755031 [0,0,1,0,0,0|3,0,0]=4 344 B11R1.81 CC=Cc1ccc(cc1N)O 271570a_100016259895_100011999798 [0,0,1,0,0,0|3,0,0]=4 345 B11R1.81 CC=Cc1ccc(cc1O)Br 271570a_100016259895_100012344904 [0,0,1,0,0,0|3,0,0]=4 346 B11R1.81 CC=Cc1ccc(cc1O)C 271570a_100016259895_100012002257 [0,0,1,0,0,0|3,0,0]=4 347 B11R1.81 CC=Cc1ccc(cc1O)Cl 271570a_100016259895_100000050036 [0,0,1,0,0,0|3,0,0]=4 348 B11R1.81 CC=Cc1ccc(cc1O)F 271570a_100016259895_100000690578 [0,0,1,0,0,0|3,0,0]=4 349 B11R1.81 CC=Cc1ccc(cc1O)O 271570a_100016259895_100009813921 [0,0,1,0,0,0|2,0,0]=3 350 B11R1.81 CCNc1ccc(cc1O)O 34a_100000106777_100000210202 [0,0,1,0,0,0|2,0,1]=4 351 B11R1.81 CCSc1ccc(cc1Br)O 62a_100000210202_100000701344 [0,0,1,0,0,0|2,0,1]=4 352 B11R1.81 CCSc1ccc(cc1Br)O 62a_100000701344_100000210202 [0,0,1,0,0,0|2,0,1]=4 353 B11R1.81 CCSc1ccc(cc1C)O 62a_100000210202_100000690111 [0,0,1,0,0,0|2,0,1]=4 354 B11R1.81 CCSc1ccc(cc1Cl)O 62a_100000047559_100000210202 [0,0,1,0,0,0|2,0,1]=4 355 B11R1.81 CCSc1ccc(cc1Cl)O 62a_100000210202_100000047559 [0,0,1,0,0,0|2,0,1]=4 356 B11R1.81 CCSc1ccc(cc1F)O 62a_100000210202_100000755031 [0,0,1,0,0,0|2,0,1]=4 357 B11R1.81 CCSc1ccc(cc1F)O 62a_100000755031_100000210202 [0,0,1,0,0,0|2,0,1]=4 358 B11R1.81 CCSc1ccc(cc1N)O 62a_100000210202_100011999798 [0,0,1,0,0,0|2,0,1]=4 359 B11R1.81 CCSc1ccc(cc1N)O 62a_100011999798_100000210202 [0,0,1,0,0,0|2,0,1]=4 360 B11R1.81 CCSc1ccc(cc1O)Br 62a_100000210202_100012344904 [0,0,1,0,0,0|2,0,1]=4 361 B11R1.81 CCSc1ccc(cc1O)Br 62a_100012344904_100000210202 [0,0,1,0,0,0|2,0,1]=4 362 B11R1.81 CCSc1ccc(cc1O)C 62a_100000210202_100012002257 [0,0,1,0,0,0|2,0,1]=4 363 B11R1.81 CCSc1ccc(cc1O)C 62a_100012002257_100000210202 [0,0,1,0,0,0|2,0,1]=4 364 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000050036_100000210202 [0,0,1,0,0,0|2,0,1]=4 365 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000210202_100000050036 [0,0,1,0,0,0|2,0,1]=4 366 B11R1.81 CCSc1ccc(cc1O)F 62a_100000210202_100000690578 [0,0,1,0,0,0|2,0,1]=4 367 B11R1.81 CCSc1ccc(cc1O)F 62a_100000690578_100000210202 [0,0,1,0,0,0|2,0,1]=4 368 B11R1.81 CCSc1ccc(cc1O)O 62a_100000210202_100009813921 [0,0,1,0,0,0|1,0,1]=3 369 B11R1.81 Cc1cc(ccc1SCF)O 62a_100015361967_100000690111 [0,0,1,0,0,0|2,0,1]=4 370 B11R1.81 Cc1ccc(c(c1)O)SCF 62a_100012002257_100015361967 [0,0,1,0,0,0|2,0,1]=4 371 B11R1.81 Cc1ccc(c(c1)O)SCF 62a_100015361967_100012002257 [0,0,1,0,0,0|2,0,1]=4 372 B11R1.81 N#CSc1ccc(cc1F)O 271570a_203496583355_100025703542 [0,0,1,0,0,0|2,0,1]=4 373 B11R1.81 N#CSc1ccc(cc1O)F 271570a_203496583355_100025703547 [0,0,1,0,0,0|2,0,1]=4 374 B11R1.81 N#CSc1ccc(cc1O)N 271570a_203496583355_200012361504 [0,0,1,0,0,0|2,0,1]=4 375 B11R1.81 Nc1cc(ccc1SCF)O 62a_100011999798_100015361967 [0,0,1,0,0,0|2,0,1]=4 376 B11R1.81 Nc1cc(ccc1SCF)O 62a_100015361967_100011999798 [0,0,1,0,0,0|2,0,1]=4 377 B11R1.81 Oc1cc(ccc1SCF)Br 62a_100012344904_100015361967 [0,0,1,0,0,0|2,0,1]=4 378 B11R1.81 Oc1cc(ccc1SCF)Br 62a_100015361967_100012344904 [0,0,1,0,0,0|2,0,1]=4 379 B11R1.81 Oc1cc(ccc1SCF)Cl 62a_100000050036_100015361967 [0,0,1,0,0,0|2,0,1]=4 380 B11R1.81 Oc1cc(ccc1SCF)Cl 62a_100015361967_100000050036 [0,0,1,0,0,0|2,0,1]=4 381 B11R1.81 Oc1cc(ccc1SCF)F 62a_100000690578_100015361967 [0,0,1,0,0,0|2,0,1]=4 382 B11R1.81 Oc1cc(ccc1SCF)F 62a_100015361967_100000690578 [0,0,1,0,0,0|2,0,1]=4 383 B11R1.81 Oc1ccc(c(c1)Br)SCF 62a_100000701344_100015361967 [0,0,1,0,0,0|2,0,1]=4 384 B11R1.81 Oc1ccc(c(c1)Br)SCF 62a_100015361967_100000701344 [0,0,1,0,0,0|2,0,1]=4 385 B11R1.81 Oc1ccc(c(c1)Cl)SCF 62a_100000047559_100015361967 [0,0,1,0,0,0|2,0,1]=4 386 B11R1.81 Oc1ccc(c(c1)Cl)SCF 62a_100015361967_100000047559 [0,0,1,0,0,0|2,0,1]=4 387 B11R1.81 Oc1ccc(c(c1)F)SCF 62a_100000755031_100015361967 [0,0,1,0,0,0|2,0,1]=4 388 B11R1.81 Oc1ccc(c(c1)F)SCF 62a_100015361967_100000755031 [0,0,1,0,0,0|2,0,1]=4 389 B11R1.81 Oc1ccc(c(c1)O)NCF 34a_100000106777_100015361967 [0,0,1,0,0,0|2,0,1]=4 390 B11R1.81 Oc1ccc(c(c1)O)SCF 62a_100015361967_100009813921 [0,0,1,0,0,0|1,0,1]=3 391 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [0,0,1,0,0,0|3,0,0]=4 392 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,0,1,0,0,0|3,0,0]=4 393 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,0,1,0,0,0|3,0,0]=4 394 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,0,1,0,0,0|3,0,0]=4 395 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,0,1,0,0,0|3,0,0]=4 396 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,0,1,0,0,0|3,0,0]=4 397 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,0,1,0,0,0|3,0,0]=4 398 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,0,1,0,0,0|3,0,0]=4 399 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,0,1,0,0,0|3,0,0]=4 400 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,0,1,0,0,0|3,0,0]=4 401 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,0,1,0,0,0|3,0,0]=4 402 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,0,1,0,0,0|2,0,0]=3 403 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,0,1,0,0,0|2,0,0]=3 404 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,0,1,0,0,0|2,0,0]=3 405 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [0,0,1,0,0,0|3,0,0]=4 406 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,0,1,0,0,0|3,0,0]=4 407 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,0,1,0,0,0|3,0,0]=4 408 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,0,1,0,0,0|3,0,0]=4 409 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,0,1,0,0,0|3,0,0]=4 410 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,0,1,0,0,0|3,0,0]=4 411 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,0,1,0,0,0|3,0,0]=4 412 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,0,1,0,0,0|3,0,0]=4 413 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,0,1,0,0,0|3,0,0]=4 414 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,0,1,0,0,0|3,0,0]=4 415 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,0,1,0,0,0|3,0,0]=4 416 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,0,1,0,0,0|3,0,0]=4 417 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,0,1,0,0,0|3,0,0]=4 418 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,0,1,0,0,0|3,0,0]=4 419 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,0,1,0,0,0|3,0,0]=4 420 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,0,1,0,0,0|3,0,0]=4 421 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,0,1,0,0,0|3,0,0]=4 422 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,0,1,0,0,0|3,0,0]=4 423 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,0,1,0,0,0|3,0,0]=4 424 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,0,1,0,0,0|3,0,0]=4 425 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,0,1,0,0,0|2,0,0]=3 426 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,0,1,0,0,0|2,0,0]=3 427 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,0,1,0,0,0|2,0,0]=3 428 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,0,1,0,0,0|2,0,0]=3 429 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,0,1,0,0,0|3,0,0]=4 430 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [0,0,1,0,0,0|3,0,0]=4 431 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [0,0,1,0,0,0|3,0,0]=4 432 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,0,1,0,0,0|1,0,0]=2 433 B11R1.157 CC(C)Oc1cccc(c1)O 271570a_203496583355_100000170003 [0,0,1,0,0,0|2,0,1]=4 434 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,0,1,0,0,0|3,0,0]=4 435 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,0,1,0,0,0|2,0,0]=3 436 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [0,0,1,0,0,0|2,0,0]=3 437 B11R1.157 Oc1cccc(c1)OC(F)F 271570a_203496583355_100000179092 [0,0,1,0,0,0|2,0,1]=4 438 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,0,1,0,0,0|3,0,0]=4 439 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,0,1,0,0,0|3,0,0]=4 440 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,0,1,0,0,0|3,0,0]=4 441 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,0,1,0,0,0|3,0,0]=4 442 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,0,1,0,0,0|2,0,0]=3 443 B11R1.182 CC=Cc1cc(ccc1Br)O 271570a_100016259895_100012339312 [0,0,1,0,0,0|3,0,0]=4 444 B11R1.182 CC=Cc1cc(ccc1C)O 271570a_100016259895_100011380479 [0,0,1,0,0,0|3,0,0]=4 445 B11R1.182 CC=Cc1cc(ccc1Cl)O 271570a_100016259895_100000049588 [0,0,1,0,0,0|3,0,0]=4 446 B11R1.182 CC=Cc1cc(ccc1F)O 271570a_100016259895_100000693481 [0,0,1,0,0,0|3,0,0]=4 447 B11R1.182 CC=Cc1cc(ccc1N)O 271570a_100016259895_100012001276 [0,0,1,0,0,0|3,0,0]=4 448 B11R1.182 CC=Cc1cc(ccc1O)O 271570a_100016259895_100009813629 [0,0,1,0,0,0|2,1,0]=4 449 B11R1.182 CCOc1cc(ccc1C)O 271570a_203496583355_100012361169 [0,0,1,0,0,0|2,0,1]=4 450 B11R1.182 CCOc1cc(ccc1F)O 271570a_203496583355_200012344967 [0,0,1,0,0,0|2,0,1]=4 451 B11R1.182 CCOc1cc(ccc1N)O 271570a_203496583355_100000688918 [0,0,1,0,0,0|2,0,1]=4 452 B13R2.155 CC1CNc2ccc(cc2O1)O 271570a_203496583355_200010108538 [0,0,0,0,0,1|2,0,1]=4 453 B13R2.155 Cc1ccc2ccc(cc2n1)O 271570a_203496583355_100009817087 [0,0,0,0,0,1|3,0,0]=4 454 B13R2.155 Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100009817055 [0,0,0,0,0,1|3,0,0]=4 455 B13R2.155 Cc1ncc2ccc(cc2n1)O 271570a_203496583355_100010233817 [0,0,0,0,0,1|3,0,0]=4 456 B13R2.155 Nc1cc2cc(ccc2cn1)O 271570a_203496583355_100009817123 [0,0,0,0,0,1|3,0,0]=4 457 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [0,0,0,0,0,1|3,0,0]=4 458 B13R2.155 Nc1ccc2ccc(cc2n1)O 271570a_203496583355_100010187616 [0,0,0,0,0,1|3,0,0]=4 459 B13R2.155 Nc1cnc2ccc(cc2n1)O 271570a_203496583355_100010090528 [0,0,0,0,0,1|3,0,0]=4 460 B13R2.155 Nc1ncc2ccc(cc2n1)O 271570a_203496583355_100010199760 [0,0,0,0,0,1|3,0,0]=4 461 B13R2.155 O=C1CCc2ccc(cc2C1)O 271570a_203496583355_100010138410 [0,0,0,0,0,1|2,0,0]=3 462 B13R2.155 O=C1CCc2ccc(cc2N1)O 271570a_203496583355_100000763451 [0,0,0,0,0,1|2,0,0]=3 463 B13R2.155 O=C1COc2ccc(cc2N1)O 271570a_203496583355_100000244627 [0,0,0,0,0,1|1,1,0]=3 464 B13R2.155 O=C1COc2ccc(nc2N1)O 271570a_203496583355_100010235088 [0,0,0,0,0,1|2,1,0]=4 465 B13R2.155 O=C1COc2ncc(cc2N1)O 271570a_203496583355_100000699640 [0,0,0,0,0,1|2,1,0]=4 466 B13R2.155 O=C1CSc2ccc(cc2N1)O 271570a_203496583355_100012361575 [0,0,0,0,0,1|1,0,0]=2 467 B13R2.155 O=C1NCc2ccc(cc2N1)O 271570a_203496583355_100010161048 [0,0,0,0,0,1|2,0,0]=3 468 B13R2.155 O=C1Nc2cc(ccc2CO1)O 271570a_203496583355_100000726308 [0,0,0,0,0,1|1,1,0]=3 469 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [0,0,0,0,0,1|1,0,0]=2 470 B13R2.155 O=c1ccc2cnc(cc2[nH]1)O 271570a_203496583355_100010563892 [0,0,0,0,0,1|3,0,0]=4 471 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [0,0,0,0,0,1|2,0,1]=4 472 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [0,0,0,0,0,1|2,0,1]=4 473 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [0,0,0,0,0,1|2,0,1]=4 474 B13R2.155 Oc1ccc2cnc(cc2c1)F 271570a_203496583355_100010291885 [0,0,0,0,0,1|3,0,0]=4 475 B13R2.155 Oc1ccc2cnc(cc2c1)O 271570a_203496583355_100009817130 [0,0,0,0,0,1|2,0,1]=4 476 B13R2.155 Oc1ccc2ncc(cc2c1)Br 271570a_203496583355_200010254249 [0,0,0,0,0,1|3,0,0]=4 477 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100000703654 [0,0,0,0,0,1|2,0,1]=4 478 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010137430 [0,0,0,0,0,1|2,0,1]=4 479 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_100010000190 [0,0,0,0,0,1|2,0,1]=4 480 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_200020640061 [0,0,0,0,0,1|2,0,1]=4 481 B13R2.3683 Cc1ccc2cc(ccc2n1)O 271570a_203496583355_100000686635 [0,0,0,0,0,1|3,0,0]=4 482 B13R2.3683 Cc1cnc2cc(ccc2c1)O 271570a_203496583355_100010751441 [0,0,0,0,0,1|3,0,0]=4 483 B13R2.3683 Nc1cc2ccc(cc2cn1)O 271570a_203496583355_100010232990 [0,0,0,0,0,1|3,0,0]=4 484 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [0,0,0,0,0,1|3,0,0]=4 485 B13R2.3683 Nc1ccc2cc(ccc2n1)O 271570a_203496583355_100011934619 [0,0,0,0,0,1|3,0,0]=4 486 B13R2.3683 Nc1cnc2cc(ccc2c1)O 271570a_203496583355_100010142226 [0,0,0,0,0,1|3,0,0]=4 487 B13R2.3683 Nc1ncc2cc(ccc2n1)O 271570a_203496583355_100010138702 [0,0,0,0,0,1|3,0,0]=4 488 B13R2.3683 O=C1CCc2cc(ccc2C1)O 271570a_203496583355_100000753102 [0,0,0,0,0,1|2,0,0]=3 489 B13R2.3683 O=C1CCc2cc(ccc2N1)O 271570a_203496583355_100000754843 [0,0,0,0,0,1|2,0,0]=3 490 B13R2.3683 O=C1CCc2cc(ccc2O1)O 271570a_203496583355_100010179853 [0,0,0,0,0,1|1,1,0]=3 491 B13R2.3683 O=C1CCc2cc(cnc2N1)O 271570a_203496583355_100010162403 [0,0,0,0,0,1|3,0,0]=4 492 B13R2.3683 O=C1CNc2cc(ccc2N1)O 271570a_203496583355_100000693460 [0,0,0,0,0,1|2,0,0]=3 493 B13R2.3683 O=C1COc2cc(ccc2N1)O 271570a_203496583355_100000745508 [0,0,0,0,0,1|1,0,0]=2 494 B13R2.3683 O=C1COc2cc(cnc2N1)O 271570a_203496583355_100010209494 [0,0,0,0,0,1|2,0,0]=3 495 B13R2.3683 O=C1COc2nc(ccc2N1)O 271570a_203496583355_100010201792 [0,0,0,0,0,1|2,0,0]=3 496 B13R2.3683 O=C1CSc2cc(ccc2N1)O 271570a_203496583355_100011830382 [0,0,0,0,0,1|1,1,0]=3 497 B13R2.3683 O=C1Cc2ccc(cc2CN1)O 271570a_203496583355_100010174877 [0,0,0,0,0,1|2,0,0]=3 498 B13R2.3683 O=C1NCc2cc(ccc2N1)O 271570a_203496583355_100010171468 [0,0,0,0,0,1|2,0,0]=3 499 B13R2.3683 O=C1Nc2ccc(cc2CO1)O 271570a_203496583355_100010219366 [0,0,0,0,0,1|1,0,0]=2 500 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [0,0,0,0,0,1|2,0,0]=3 501 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [0,0,0,0,0,1|1,1,0]=3 502 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [0,0,0,0,0,1|2,0,0]=3 503 B13R2.3683 O=c1cnc2cc(cnc2[nH]1)O 271570a_203496583355_200010159638 [0,0,0,0,0,1|3,0,0]=4 504 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [0,0,0,0,0,1|3,0,0]=4 505 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [0,0,0,0,0,1|3,0,0]=4 506 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [0,0,0,0,0,1|2,0,1]=4 507 B13R2.3683 Oc1ccc2cc(cnc2c1)Br 271570a_203496583355_200015509644 [0,0,0,0,0,1|3,0,0]=4 508 B13R2.3683 Oc1ccc2cc(cnc2c1)F 271570a_203496583355_100010751466 [0,0,0,0,0,1|3,0,0]=4 509 B13R2.3683 Oc1ccc2nc(ccc2c1)Cl 271570a_203496583355_200012034268 [0,0,0,0,0,1|3,0,0]=4 510 B13R2.3683 Oc1ccc2nc(ccc2c1)O 271570a_203496583355_100009849208 [0,0,0,0,0,1|2,0,1]=4 511 B13R2.3683 Oc1ccc2nc(cnc2c1)O 271570a_203496583355_200010664160 [0,0,0,0,0,1|2,0,1]=4 512 B13R2.3683 Oc1cnc2cc(ccc2c1)O 271570a_203496583355_200010153753 [0,0,0,0,0,1|2,0,1]=4 513 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,0,1,0,0,0|2,0,0]=4 514 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,0,1,0,0,0|2,0,0]=4 515 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,0,1,0,0,0|1,0,1]=4 516 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,0,1,0,0,0|1,0,1]=4 517 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,0,1,0,0,0|1,0,0]=3 518 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,0,1,0,0,0|1,0,1]=4 519 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,0,1,0,0,0|2,0,0]=4 520 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [1,0,1,0,0,0|1,0,1]=4 521 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,1,0,0,0|2,0,0]=4 522 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,1,0,0,0|2,0,0]=4 523 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,1,0,0,0|2,0,0]=4 524 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,1,0,0,0|2,0,0]=4 525 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,1,0,0,0|2,0,0]=4 526 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,0,1,0,0,0|2,0,0]=4 527 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,0,1,0,0,0|2,0,0]=4 528 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,0,1,0,0,0|1,0,1]=4 529 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,0,1,0,0,0|1,0,1]=4 530 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,0,1,0,0,0|1,0,1]=4 531 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [1,0,1,0,0,0|1,0,1]=4 532 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [1,0,1,0,0,0|1,0,1]=4 533 B10R1.25 C=Cc1ccc(cc1Br)O 271570a_100011290941_100000701344 [1,0,1,0,0,0|2,0,0]=4 534 B10R1.25 C=Cc1ccc(cc1C)O 271570a_100011290941_100000729255 [1,0,1,0,0,0|2,0,0]=4 535 B10R1.25 C=Cc1ccc(cc1Cl)O 271570a_100011290941_100000047559 [1,0,1,0,0,0|2,0,0]=4 536 B10R1.25 C=Cc1ccc(cc1F)O 271570a_100011290941_100000755031 [1,0,1,0,0,0|2,0,0]=4 537 B10R1.25 C=Cc1ccc(cc1N)O 271570a_100011290941_100011999798 [1,0,1,0,0,0|2,0,0]=4 538 B10R1.25 C=Cc1ccc(cc1O)Br 271570a_100011290941_100012344904 [1,0,1,0,0,0|2,0,0]=4 539 B10R1.25 C=Cc1ccc(cc1O)C 271570a_100011290941_100012002257 [1,0,1,0,0,0|2,0,0]=4 540 B10R1.25 C=Cc1ccc(cc1O)Cl 271570a_100011290941_100000050036 [1,0,1,0,0,0|2,0,0]=4 541 B10R1.25 C=Cc1ccc(cc1O)F 271570a_100011290941_100000690578 [1,0,1,0,0,0|2,0,0]=4 542 B10R1.25 C=Cc1ccc(cc1O)O 271570a_100011290941_100009813921 [1,0,1,0,0,0|1,0,0]=3 543 B10R1.25 CNc1ccc(cc1O)O 34a_100000106777_200000210301 [1,0,1,0,0,0|1,0,1]=4 544 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100009816560 [1,0,1,0,0,0|0,1,1]=4 545 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100010084122 [1,0,1,0,0,0|0,1,1]=4 546 B10R1.25 CSc1ccc(cc1Br)O 62a_100000701344_200000210301 [1,0,1,0,0,0|1,0,1]=4 547 B10R1.25 CSc1ccc(cc1Br)O 62a_200000210301_100000701344 [1,0,1,0,0,0|1,0,1]=4 548 B10R1.25 CSc1ccc(cc1C)O 62a_200000210301_100000690111 [1,0,1,0,0,0|1,0,1]=4 549 B10R1.25 CSc1ccc(cc1Cl)O 271570a_203496583355_206447510565 [1,0,1,0,0,0|1,0,1]=4 550 B10R1.25 CSc1ccc(cc1Cl)O 62a_100000047559_200000210301 [1,0,1,0,0,0|1,0,1]=4 551 B10R1.25 CSc1ccc(cc1Cl)O 62a_200000210301_100000047559 [1,0,1,0,0,0|1,0,1]=4 552 B10R1.25 CSc1ccc(cc1F)O 271570a_203496583355_100010161220 [1,0,1,0,0,0|1,0,1]=4 553 B10R1.25 CSc1ccc(cc1F)O 62a_100000755031_200000210301 [1,0,1,0,0,0|1,0,1]=4 554 B10R1.25 CSc1ccc(cc1F)O 62a_200000210301_100000755031 [1,0,1,0,0,0|1,0,1]=4 555 B10R1.25 CSc1ccc(cc1N)O 62a_100011999798_200000210301 [1,0,1,0,0,0|1,0,1]=4 556 B10R1.25 CSc1ccc(cc1N)O 62a_200000210301_100011999798 [1,0,1,0,0,0|1,0,1]=4 557 B10R1.25 CSc1ccc(cc1O)Br 62a_100012344904_200000210301 [1,0,1,0,0,0|1,0,1]=4 558 B10R1.25 CSc1ccc(cc1O)Br 62a_200000210301_100012344904 [1,0,1,0,0,0|1,0,1]=4 559 B10R1.25 CSc1ccc(cc1O)C 271570a_203496583355_200010201864 [1,0,1,0,0,0|1,0,1]=4 560 B10R1.25 CSc1ccc(cc1O)C 62a_100012002257_200000210301 [1,0,1,0,0,0|1,0,1]=4 561 B10R1.25 CSc1ccc(cc1O)C 62a_200000210301_100012002257 [1,0,1,0,0,0|1,0,1]=4 562 B10R1.25 CSc1ccc(cc1O)Cl 62a_100000050036_200000210301 [1,0,1,0,0,0|1,0,1]=4 563 B10R1.25 CSc1ccc(cc1O)Cl 62a_200000210301_100000050036 [1,0,1,0,0,0|1,0,1]=4 564 B10R1.25 CSc1ccc(cc1O)F 271570a_203496583355_100009817003 [1,0,1,0,0,0|1,0,1]=4 565 B10R1.25 CSc1ccc(cc1O)F 62a_100000690578_200000210301 [1,0,1,0,0,0|1,0,1]=4 566 B10R1.25 CSc1ccc(cc1O)F 62a_200000210301_100000690578 [1,0,1,0,0,0|1,0,1]=4 567 B10R1.25 CSc1ccc(cc1O)O 62a_200000210301_100009813921 [1,0,1,0,0,0|0,0,1]=3 568 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,0,1,0,0,0|1,0,0]=3 569 B10R1.25 Cc1cc(ccc1S[13CH3])O 62a_200025704644_100000690111 [1,0,1,0,0,0|1,0,1]=4 570 B10R1.25 Cc1cc(cnc1C=O)O 271570a_203496583355_100010185443 [1,0,1,0,0,0|2,0,0]=4 571 B10R1.25 Cc1cc(ncc1C=O)O 271570a_203496583355_100000085382 [1,0,1,0,0,0|2,0,0]=4 572 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [1,0,1,0,0,0|1,0,0]=3 573 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_100012002257_200025704644 [1,0,1,0,0,0|1,0,1]=4 574 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012002257 [1,0,1,0,0,0|1,0,1]=4 575 B10R1.25 Cc1ccc(c(n1)O)C=O 271570a_203496583355_100000085379 [1,0,1,0,0,0|2,0,0]=4 576 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [1,0,1,0,0,0|2,0,0]=4 577 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100011934713 [1,0,1,0,0,0|1,0,1]=4 578 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100012184851 [1,0,1,0,0,0|1,0,1]=4 579 B10R1.25 Nc1cc(ccc1C=O)O 271570a_203496583355_100009814810 [1,0,1,0,0,0|1,0,0]=3 580 B10R1.25 O=Cc1ccc(cc1Br)O 271570a_203496583355_100010185650 [1,0,1,0,0,0|1,0,0]=3 581 B10R1.25 O=Cc1ccc(cc1Cl)O 271570a_203496583355_100000727542 [1,0,1,0,0,0|1,0,0]=3 582 B10R1.25 O=Cc1ccc(cc1F)O 271570a_203496583355_100000211676 [1,0,1,0,0,0|1,0,0]=3 583 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [1,0,1,0,0,0|1,0,0]=3 584 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [1,0,1,0,0,0|1,0,0]=3 585 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [1,0,1,0,0,0|0,0,0]=2 586 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [1,0,1,0,0,0|0,0,0]=2 587 B10R1.25 O=Cc1ccc(nc1F)O 271570a_203496583355_100010064369 [1,0,1,0,0,0|2,0,0]=4 588 B10R1.25 O=Cc1ccc(nc1O)F 271570a_203496583355_100009846357 [1,0,1,0,0,0|2,0,0]=4 589 B10R1.25 O=Cc1cnc(cc1O)F 271570a_203496583355_100009862493 [1,0,1,0,0,0|2,0,0]=4 590 B10R1.25 O=Cc1ncc(cc1F)O 271570a_203496583355_100010180630 [1,0,1,0,0,0|2,0,0]=4 591 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100000071718 [1,0,1,0,0,0|0,0,2]=4 592 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100010146404 [1,0,1,0,0,0|0,0,2]=4 593 B10R1.25 [13CH3]Nc1ccc(cc1O)O 34a_100000106777_200025704644 [1,0,1,0,0,0|1,0,1]=4 594 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_100000701344_200025704644 [1,0,1,0,0,0|1,0,1]=4 595 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_200025704644_100000701344 [1,0,1,0,0,0|1,0,1]=4 596 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_100000047559_200025704644 [1,0,1,0,0,0|1,0,1]=4 597 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_200025704644_100000047559 [1,0,1,0,0,0|1,0,1]=4 598 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_100000755031_200025704644 [1,0,1,0,0,0|1,0,1]=4 599 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_200025704644_100000755031 [1,0,1,0,0,0|1,0,1]=4 600 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_100011999798_200025704644 [1,0,1,0,0,0|1,0,1]=4 601 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_200025704644_100011999798 [1,0,1,0,0,0|1,0,1]=4 602 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_100012344904_200025704644 [1,0,1,0,0,0|1,0,1]=4 603 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_200025704644_100012344904 [1,0,1,0,0,0|1,0,1]=4 604 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_100000050036_200025704644 [1,0,1,0,0,0|1,0,1]=4 605 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_200025704644_100000050036 [1,0,1,0,0,0|1,0,1]=4 606 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_100000690578_200025704644 [1,0,1,0,0,0|1,0,1]=4 607 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_200025704644_100000690578 [1,0,1,0,0,0|1,0,1]=4 608 B10R1.25 [13CH3]Sc1ccc(cc1O)O 62a_200025704644_100009813921 [1,0,1,0,0,0|0,0,1]=3 609 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,0,1,0,0,0|2,0,0]=4 610 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,0,1,0,0,0|2,0,0]=4 611 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [1,0,1,0,0,0|1,0,1]=4 612 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,0,1,0,0,0|1,0,0]=3 613 B10R1.30 C=Cc1cc(ccc1Br)O 271570a_100011290941_100012339312 [1,0,1,0,0,0|2,0,0]=4 614 B10R1.30 C=Cc1cc(ccc1C)O 271570a_100011290941_100011380479 [1,0,1,0,0,0|2,0,0]=4 615 B10R1.30 C=Cc1cc(ccc1Cl)O 271570a_100011290941_100000049588 [1,0,1,0,0,0|2,0,0]=4 616 B10R1.30 C=Cc1cc(ccc1F)O 271570a_100011290941_100000693481 [1,0,1,0,0,0|2,0,0]=4 617 B10R1.30 C=Cc1cc(ccc1N)O 271570a_100011290941_100012001276 [1,0,1,0,0,0|2,0,0]=4 618 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [1,0,1,0,0,0|1,1,0]=4 619 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [1,0,1,0,0,0|1,0,1]=4 620 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [1,0,1,0,0,0|1,0,1]=4 621 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [1,0,1,0,0,0|1,0,1]=4 622 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [1,0,1,0,0,0|1,0,1]=4 623 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [1,0,1,0,0,0|1,0,1]=4 624 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [1,0,1,0,0,0|0,1,1]=4 625 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [1,0,1,0,0,0|0,1,1]=4 626 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [1,0,1,0,0,0|1,1,0]=4 627 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [1,0,1,0,0,0|1,0,0]=3 628 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [1,0,1,0,0,0|1,0,0]=3 629 B10R1.30 Nc1ncc(cc1C=O)O 271570a_203496583355_100009814808 [1,0,1,0,0,0|2,0,0]=4 630 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [1,0,1,0,0,0|1,0,0]=3 631 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [1,0,1,0,0,0|1,0,0]=3 632 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [1,0,1,0,0,0|1,0,0]=3 633 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [1,0,1,0,0,0|1,1,0]=4 634 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [1,0,1,0,0,0|1,1,0]=4 635 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [1,0,1,0,0,0|1,1,0]=4 636 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [1,0,1,0,0,0|0,1,0]=3 637 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [1,0,1,0,0,0|0,1,0]=3 638 B10R1.30 O=Cc1cc(cnc1F)O 271570a_203496583355_100009814789 [1,0,1,0,0,0|2,0,0]=4 639 B10R1.30 O=Cc1cc(ncc1F)O 271570a_203496583355_100000707870 [1,0,1,0,0,0|2,0,0]=4 640 B10R1.30 O=Cc1nc(ccc1F)O 271570a_203496583355_100009814804 [1,0,1,0,0,0|2,0,0]=4 641 B12R1.4 C=Cc1ccc(cc1)SC(=O)C 271570a_100011290941_200009995050 [0,1,1,0,0,0|2,0,0]=4 642 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,1,1,0,0,0|2,0,0]=4 643 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,1,1,0,0,0|2,0,0]=4 644 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,1,1,0,0,0|2,0,0]=4 645 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,1,1,0,0,0|2,0,0]=4 646 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,1,1,0,0,0|2,0,0]=4 647 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,1,1,0,0,0|2,0,0]=4 648 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,1,1,0,0,0|2,0,0]=4 649 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [0,1,1,0,0,0|1,1,0]=4 650 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,1,1,0,0,0|2,0,0]=4 651 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,1,1,0,0,0|2,0,0]=4 652 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,1,1,0,0,0|2,0,0]=4 653 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,1,1,0,0,0|2,0,0]=4 654 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,1,1,0,0,0|2,0,0]=4 655 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,1,1,0,0,0|2,0,0]=4 656 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,1,1,0,0,0|2,0,0]=4 657 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,1,1,0,0,0|2,0,0]=4 658 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,1,1,0,0,0|2,0,0]=4 659 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,1,1,0,0,0|2,0,0]=4 660 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,1,1,0,0,0|2,0,0]=4 661 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [0,1,1,0,0,0|1,1,0]=4 662 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,1,1,0,0,0|2,0,0]=4 663 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,1,1,0,0,0|2,0,0]=4 664 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,1,1,0,0,0|2,0,0]=4 665 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,1,1,0,0,0|2,0,0]=4 666 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,1,1,0,0,0|2,0,0]=4 667 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,1,1,0,0,0|2,0,0]=4 668 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,1,1,0,0,0|2,0,0]=4 669 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,1,1,0,0,0|2,0,0]=4 670 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [0,1,1,0,0,0|2,0,0]=4 671 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [0,1,1,0,0,0|2,0,0]=4 672 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,1,1,0,0,0|2,0,0]=4 673 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,1,1,0,0,0|2,0,0]=4 674 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,1,1,0,0,0|2,0,0]=4 675 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,1,1,0,0,0|2,0,0]=4 676 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [0,1,1,0,0,0|2,0,0]=4 677 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [0,1,1,0,0,0|2,0,0]=4 678 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [0,1,1,0,0,0|2,0,0]=4 679 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [0,1,1,0,0,0|2,0,0]=4 680 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [0,1,1,0,0,0|2,0,0]=4 681 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [0,1,1,0,0,0|2,0,0]=4 682 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,1,1,0,0,0|2,0,0]=4 683 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,1,1,0,0,0|2,0,0]=4 684 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,1,1,0,0,0|2,0,0]=4 685 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,1,1,0,0,0|2,0,0]=4 686 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,1,1,0,0,0|2,0,0]=4 687 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,1,1,0,0,0|2,0,0]=4 688 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,1,1,0,0,0|2,0,0]=4 689 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,1,1,0,0,0|2,0,0]=4 690 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,1,1,0,0,0|2,0,0]=4 691 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,1,1,0,0,0|2,0,0]=4 692 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,1,1,0,0,0|2,0,0]=4 693 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,1,1,0,0,0|2,0,0]=4 694 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,1,1,0,0,0|2,0,0]=4 695 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,1,1,0,0,0|2,0,0]=4 696 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,1,1,0,0,0|2,0,0]=4 697 B12R1.49 CC(CO)Sc1ccc(cc1)O 62a_100012180447_100000185759 [0,1,1,0,0,0|1,0,1]=4 698 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,1,1,0,0,0|2,0,0]=4 699 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,1,1,0,0,0|2,0,0]=4 700 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,1,1,0,0,0|1,1,0]=4 701 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,1,1,0,0,0|2,0,0]=4 702 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,1,1,0,0,0|2,0,0]=4 703 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,1,1,0,0,0|2,0,0]=4 704 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,1,1,0,0,0|2,0,0]=4 705 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,1,1,0,0,0|2,0,0]=4 706 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,1,1,0,0,0|1,0,0]=3 707 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [0,1,1,0,0,0|2,0,0]=4 708 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [0,1,1,0,0,0|2,0,0]=4 709 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,1,1,0,0,0|1,0,0]=3 710 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [0,1,1,0,0,0|2,0,0]=4 711 B12R1.49 COC(C)Sc1ccc(cc1)O 62a_100009879195_100000185759 [0,1,1,0,0,0|1,0,1]=4 712 B12R1.49 C[C@H](CO)Sc1ccc(cc1)O 62a_100016084084_100000185759 [0,1,1,0,0,0|1,0,1]=4 713 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,1,1,0,0,0|2,0,0]=4 714 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,1,1,0,0,0|2,0,0]=4 715 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,1,1,0,0,0|2,0,0]=4 716 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,1,1,0,0,0|2,0,0]=4 717 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,1,1,0,0,0|2,0,0]=4 718 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,1,1,0,0,0|2,0,0]=4 719 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,1,1,0,0,0|2,0,0]=4 720 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,1,1,0,0,0|2,0,0]=4 721 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,1,1,0,0,0|2,0,0]=4 722 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,1,1,0,0,0|2,0,0]=4 723 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,1,1,0,0,0|2,0,0]=4 724 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,1,1,0,0,0|2,0,0]=4 725 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,1,1,0,0,0|2,0,0]=4 726 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,1,1,0,0,0|2,0,0]=4 727 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,1,1,0,0,0|2,0,0]=4 728 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,1,1,0,0,0|2,0,0]=4 729 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,1,1,0,0,0|1,0,0]=3 730 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [0,1,1,0,0,0|2,0,0]=4 731 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [0,1,1,0,0,0|2,0,0]=4 732 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [0,1,1,0,0,0|2,0,0]=4 733 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [0,1,1,0,0,0|2,0,0]=4 734 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,1,1,0,0,0|2,0,0]=4 735 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,1,1,0,0,0|2,0,0]=4 736 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,1,1,0,0,0|2,0,0]=4 737 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [0,1,1,0,0,0|2,0,0]=4 738 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [0,1,1,0,0,0|2,0,0]=4 739 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [0,1,1,0,0,0|2,0,0]=4 740 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [0,1,1,0,0,0|2,0,0]=4 741 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [0,1,1,0,0,0|2,0,0]=4 742 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [0,1,1,0,0,0|2,0,0]=4 743 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [0,1,1,0,0,0|2,0,0]=4 744 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [0,1,1,0,0,0|2,0,0]=4 745 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [0,1,1,0,0,0|2,0,0]=4 746 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,1,1,0,0,0|2,0,0]=4 747 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,1,1,0,0,0|2,0,0]=4 748 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [0,1,1,0,0,0|1,1,0]=4 749 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [0,1,1,0,0,0|2,0,0]=4 750 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [0,1,1,0,0,0|2,0,0]=4 751 B12R1.69 C#CCSc1ccc(cc1O)O 62a_100000038162_100009813921 [0,1,1,0,0,0|1,0,1]=4 752 B12R1.69 C=CCNc1ccc(cc1O)O 34a_100000106777_100015514636 [0,1,1,0,0,0|2,0,0]=4 753 B12R1.69 C=CCSc1ccc(cc1Br)O 62a_100000210623_100000701344 [0,1,1,0,0,0|2,0,0]=4 754 B12R1.69 C=CCSc1ccc(cc1Br)O 62a_100000701344_100000210623 [0,1,1,0,0,0|2,0,0]=4 755 B12R1.69 C=CCSc1ccc(cc1C)O 62a_100000210623_100000690111 [0,1,1,0,0,0|2,0,0]=4 756 B12R1.69 C=CCSc1ccc(cc1Cl)O 62a_100000047559_100000210623 [0,1,1,0,0,0|2,0,0]=4 757 B12R1.69 C=CCSc1ccc(cc1Cl)O 62a_100000210623_100000047559 [0,1,1,0,0,0|2,0,0]=4 758 B12R1.69 C=CCSc1ccc(cc1F)O 62a_100000210623_100000755031 [0,1,1,0,0,0|2,0,0]=4 759 B12R1.69 C=CCSc1ccc(cc1F)O 62a_100000755031_100000210623 [0,1,1,0,0,0|2,0,0]=4 760 B12R1.69 C=CCSc1ccc(cc1N)O 62a_100000210623_100011999798 [0,1,1,0,0,0|2,0,0]=4 761 B12R1.69 C=CCSc1ccc(cc1N)O 62a_100011999798_100000210623 [0,1,1,0,0,0|2,0,0]=4 762 B12R1.69 C=CCSc1ccc(cc1O)Br 62a_100000210623_100012344904 [0,1,1,0,0,0|2,0,0]=4 763 B12R1.69 C=CCSc1ccc(cc1O)Br 62a_100012344904_100000210623 [0,1,1,0,0,0|2,0,0]=4 764 B12R1.69 C=CCSc1ccc(cc1O)C 62a_100000210623_100012002257 [0,1,1,0,0,0|2,0,0]=4 765 B12R1.69 C=CCSc1ccc(cc1O)C 62a_100012002257_100000210623 [0,1,1,0,0,0|2,0,0]=4 766 B12R1.69 C=CCSc1ccc(cc1O)Cl 62a_100000050036_100000210623 [0,1,1,0,0,0|2,0,0]=4 767 B12R1.69 C=CCSc1ccc(cc1O)Cl 62a_100000210623_100000050036 [0,1,1,0,0,0|2,0,0]=4 768 B12R1.69 C=CCSc1ccc(cc1O)F 62a_100000210623_100000690578 [0,1,1,0,0,0|2,0,0]=4 769 B12R1.69 C=CCSc1ccc(cc1O)F 62a_100000690578_100000210623 [0,1,1,0,0,0|2,0,0]=4 770 B12R1.69 C=CCSc1ccc(cc1O)O 62a_100000210623_100009813921 [0,1,1,0,0,0|1,0,0]=3 771 B12R1.69 CCCSc1ccc(cc1O)O 62a_100000210303_100009813921 [0,1,1,0,0,0|1,0,1]=4 772 B12R1.69 COCSc1ccc(cc1O)O 62a_100000766300_100009813921 [0,1,1,0,0,0|0,0,2]=4 773 B12R1.69 CSCSc1ccc(cc1O)O 62a_100011218213_100009813921 [0,1,1,0,0,0|0,1,1]=4 774 B12R1.69 Cc1cc(c(cn1)SCC=O)O 62a_100011016184_200015260668 [0,1,1,0,0,0|2,0,0]=4 775 B12R1.69 Cc1cc(c(cn1)SCC=O)O 62a_200015260668_100011016184 [0,1,1,0,0,0|2,0,0]=4 776 B12R1.69 Cc1cc(ccc1NCC=O)O 34a_100000756630_200009817547 [0,1,1,0,0,0|2,0,0]=4 777 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_100000701812_200015260668 [0,1,1,0,0,0|2,0,0]=4 778 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_200015260668_100000701812 [0,1,1,0,0,0|2,0,0]=4 779 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_100011219607_200015260668 [0,1,1,0,0,0|2,0,0]=4 780 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_200015260668_100011219607 [0,1,1,0,0,0|2,0,0]=4 781 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_100011205405_200015260668 [0,1,1,0,0,0|2,0,0]=4 782 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_200015260668_100011205405 [0,1,1,0,0,0|2,0,0]=4 783 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_100000210723_200015260668 [0,1,1,0,0,0|2,0,0]=4 784 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_200015260668_100000210723 [0,1,1,0,0,0|2,0,0]=4 785 B12R1.69 Cc1cc(ccc1SCC=O)O 62a_200015260668_100000690111 [0,1,1,0,0,0|1,0,0]=3 786 B12R1.69 Cc1cc(cnc1SCC=O)O 62a_100012000486_200015260668 [0,1,1,0,0,0|2,0,0]=4 787 B12R1.69 Cc1cc(cnc1SCC=O)O 62a_200015260668_100012000486 [0,1,1,0,0,0|2,0,0]=4 788 B12R1.69 Cc1cc(ncc1SCC=O)O 62a_100000766222_200015260668 [0,1,1,0,0,0|2,0,0]=4 789 B12R1.69 Cc1cc(ncc1SCC=O)O 62a_200015260668_100000766222 [0,1,1,0,0,0|2,0,0]=4 790 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_100009813563_200015260668 [0,1,1,0,0,0|2,0,0]=4 791 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_200015260668_100009813563 [0,1,1,0,0,0|2,0,0]=4 792 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_100011217332_200015260668 [0,1,1,0,0,0|2,0,0]=4 793 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_200015260668_100011217332 [0,1,1,0,0,0|2,0,0]=4 794 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_100011263221_200015260668 [0,1,1,0,0,0|2,0,0]=4 795 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100011263221 [0,1,1,0,0,0|2,0,0]=4 796 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_100011216119_200015260668 [0,1,1,0,0,0|2,0,0]=4 797 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_200015260668_100011216119 [0,1,1,0,0,0|2,0,0]=4 798 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_100011216686_200015260668 [0,1,1,0,0,0|2,0,0]=4 799 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_200015260668_100011216686 [0,1,1,0,0,0|2,0,0]=4 800 B12R1.69 Cc1ccc(c(c1)O)NCC=O 34a_100000211527_200009817547 [0,1,1,0,0,0|2,0,0]=4 801 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_100012002257_200015260668 [0,1,1,0,0,0|1,0,0]=3 802 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_200015260668_100012002257 [0,1,1,0,0,0|1,0,0]=3 803 B12R1.69 Cc1ccc(c(n1)O)SCC=O 62a_100009817604_200015260668 [0,1,1,0,0,0|2,0,0]=4 804 B12R1.69 Cc1ccc(c(n1)O)SCC=O 62a_200015260668_100009817604 [0,1,1,0,0,0|2,0,0]=4 805 B12R1.69 Cc1cnc(c(c1)O)SCC=O 62a_200015260668_100012000487 [0,1,1,0,0,0|2,0,0]=4 806 B12R1.69 Cc1nc(ccc1SCC=O)O 62a_100000691680_200015260668 [0,1,1,0,0,0|2,0,0]=4 807 B12R1.69 Cc1nc(ccc1SCC=O)O 62a_200015260668_100000691680 [0,1,1,0,0,0|2,0,0]=4 808 B12R1.69 N#CCSc1ccc(cc1O)O 62a_100011215382_100009813921 [0,1,1,0,0,0|1,0,1]=4 809 B12R1.69 Nc1cc(ccc1SCC=O)Br 62a_100000743836_200015260668 [0,1,1,0,0,0|2,0,0]=4 810 B12R1.69 Nc1cc(ccc1SCC=O)Br 62a_200015260668_100000743836 [0,1,1,0,0,0|2,0,0]=4 811 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_100000761886_200015260668 [0,1,1,0,0,0|2,0,0]=4 812 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_200015260668_100000761886 [0,1,1,0,0,0|2,0,0]=4 813 B12R1.69 Nc1cc(ccc1SCC=O)F 62a_100000687223_200015260668 [0,1,1,0,0,0|2,0,0]=4 814 B12R1.69 Nc1cc(ccc1SCC=O)F 62a_200015260668_100000687223 [0,1,1,0,0,0|2,0,0]=4 815 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_100011999798_200015260668 [0,1,1,0,0,0|1,0,0]=3 816 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_200015260668_100011999798 [0,1,1,0,0,0|1,0,0]=3 817 B12R1.69 Nc1ccc(c(c1)Br)SCC=O 62a_100000750458_200015260668 [0,1,1,0,0,0|2,0,0]=4 818 B12R1.69 Nc1ccc(c(c1)Br)SCC=O 62a_200015260668_100000750458 [0,1,1,0,0,0|2,0,0]=4 819 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_100000761885_200015260668 [0,1,1,0,0,0|2,0,0]=4 820 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100000761885 [0,1,1,0,0,0|2,0,0]=4 821 B12R1.69 Nc1ccc(c(c1)F)SCC=O 62a_100011356925_200015260668 [0,1,1,0,0,0|2,0,0]=4 822 B12R1.69 Nc1ccc(c(c1)F)SCC=O 62a_200015260668_100011356925 [0,1,1,0,0,0|2,0,0]=4 823 B12R1.69 Nc1ccc(c(c1)N)SCC=O 62a_200012175722_200015260668 [0,1,1,0,0,0|2,0,0]=4 824 B12R1.69 Nc1ccc(c(c1)N)SCC=O 62a_200015260668_200012175722 [0,1,1,0,0,0|2,0,0]=4 825 B12R1.69 O=CCNc1ccc(cc1Br)O 34a_100012001276_200009817547 [0,1,1,0,0,0|2,0,0]=4 826 B12R1.69 O=CCNc1ccc(cc1Cl)O 34a_100011215599_200009817547 [0,1,1,0,0,0|2,0,0]=4 827 B12R1.69 O=CCNc1ccc(cc1F)O 34a_100000759473_200009817547 [0,1,1,0,0,0|2,0,0]=4 828 B12R1.69 O=CCNc1ccc(cc1I)O 34a_100010084370_200009817547 [0,1,1,0,0,0|2,0,0]=4 829 B12R1.69 O=CCNc1ccc(cc1O)Br 34a_100000739049_200009817547 [0,1,1,0,0,0|2,0,0]=4 830 B12R1.69 O=CCNc1ccc(cc1O)Cl 34a_100000185728_200009817547 [0,1,1,0,0,0|2,0,0]=4 831 B12R1.69 O=CCNc1ccc(cc1O)F 34a_100000753323_200009817547 [0,1,1,0,0,0|2,0,0]=4 832 B12R1.69 O=CCNc1ccc(cc1O)O 34a_100000106777_200009817547 [0,1,1,0,0,0|1,0,0]=3 833 B12R1.69 O=CCSc1ccc(cc1Br)Br 62a_100011484698_200015260668 [0,1,1,0,0,0|2,0,0]=4 834 B12R1.69 O=CCSc1ccc(cc1Br)Br 62a_200015260668_100011484698 [0,1,1,0,0,0|2,0,0]=4 835 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_100011219703_200015260668 [0,1,1,0,0,0|2,0,0]=4 836 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_200015260668_100011219703 [0,1,1,0,0,0|2,0,0]=4 837 B12R1.69 O=CCSc1ccc(cc1Br)F 62a_100011217111_200015260668 [0,1,1,0,0,0|2,0,0]=4 838 B12R1.69 O=CCSc1ccc(cc1Br)F 62a_200015260668_100011217111 [0,1,1,0,0,0|2,0,0]=4 839 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_100000701344_200015260668 [0,1,1,0,0,0|1,0,0]=3 840 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_200015260668_100000701344 [0,1,1,0,0,0|1,0,0]=3 841 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_100011216062_200015260668 [0,1,1,0,0,0|2,0,0]=4 842 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_200015260668_100011216062 [0,1,1,0,0,0|2,0,0]=4 843 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_100000699841_200015260668 [0,1,1,0,0,0|2,0,0]=4 844 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_200015260668_100000699841 [0,1,1,0,0,0|2,0,0]=4 845 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_100000733362_200015260668 [0,1,1,0,0,0|2,0,0]=4 846 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_200015260668_100000733362 [0,1,1,0,0,0|2,0,0]=4 847 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_100000047559_200015260668 [0,1,1,0,0,0|1,0,0]=3 848 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_200015260668_100000047559 [0,1,1,0,0,0|1,0,0]=3 849 B12R1.69 O=CCSc1ccc(cc1F)Br 62a_100009814013_200015260668 [0,1,1,0,0,0|2,0,0]=4 850 B12R1.69 O=CCSc1ccc(cc1F)Br 62a_200015260668_100009814013 [0,1,1,0,0,0|2,0,0]=4 851 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_100011216042_200015260668 [0,1,1,0,0,0|2,0,0]=4 852 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_200015260668_100011216042 [0,1,1,0,0,0|2,0,0]=4 853 B12R1.69 O=CCSc1ccc(cc1F)F 62a_100000750030_200015260668 [0,1,1,0,0,0|2,0,0]=4 854 B12R1.69 O=CCSc1ccc(cc1F)F 62a_200015260668_100000750030 [0,1,1,0,0,0|2,0,0]=4 855 B12R1.69 O=CCSc1ccc(cc1F)O 62a_100000755031_200015260668 [0,1,1,0,0,0|1,0,0]=3 856 B12R1.69 O=CCSc1ccc(cc1F)O 62a_200015260668_100000755031 [0,1,1,0,0,0|1,0,0]=3 857 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_100012344904_200015260668 [0,1,1,0,0,0|1,0,0]=3 858 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_200015260668_100012344904 [0,1,1,0,0,0|1,0,0]=3 859 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_100000050036_200015260668 [0,1,1,0,0,0|1,0,0]=3 860 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_200015260668_100000050036 [0,1,1,0,0,0|1,0,0]=3 861 B12R1.69 O=CCSc1ccc(cc1O)F 62a_100000690578_200015260668 [0,1,1,0,0,0|1,0,0]=3 862 B12R1.69 O=CCSc1ccc(cc1O)F 62a_200015260668_100000690578 [0,1,1,0,0,0|1,0,0]=3 863 B12R1.69 O=CCSc1ccc(cc1O)O 62a_200015260668_100009813921 [0,1,1,0,0,0|0,0,0]=2 864 B12R1.69 O=CCSc1ccc(nc1F)O 62a_100009879308_200015260668 [0,1,1,0,0,0|2,0,0]=4 865 B12R1.69 O=CCSc1ccc(nc1F)O 62a_200015260668_100009879308 [0,1,1,0,0,0|2,0,0]=4 866 B12R1.69 O=CCSc1ncc(cc1F)O 62a_200015260668_100000063512 [0,1,1,0,0,0|2,0,0]=4 867 B12R1.69 O=CCSc1ncc(cc1O)Br 62a_100010210634_200015260668 [0,1,1,0,0,0|2,0,0]=4 868 B12R1.69 O=CCSc1ncc(cc1O)Br 62a_200015260668_100010210634 [0,1,1,0,0,0|2,0,0]=4 869 B12R1.69 O=CCSc1ncc(cc1O)Cl 62a_100010233512_200015260668 [0,1,1,0,0,0|2,0,0]=4 870 B12R1.69 O=CCSc1ncc(cc1O)Cl 62a_200015260668_100010233512 [0,1,1,0,0,0|2,0,0]=4 871 B12R1.69 O=CCSc1ncc(cc1O)F 62a_100009820119_200015260668 [0,1,1,0,0,0|2,0,0]=4 872 B12R1.69 O=CCSc1ncc(cc1O)F 62a_200015260668_100000079967 [0,1,1,0,0,0|2,0,0]=4 873 B12R1.69 OCCSc1ccc(cc1O)O 62a_100000211926_100009813921 [0,1,1,0,0,0|0,0,2]=4 874 B12R1.69 Oc1ccc(c(c1)O)SCCF 62a_100011217306_100009813921 [0,1,1,0,0,0|1,0,1]=4 875 B12R1.112 CC=Cc1ccc(cc1CO)O 271570a_100016259895_100012351483 [0,1,1,0,0,0|2,0,0]=4 876 B12R1.112 CC=Cc1ccc(cc1OC)O 271570a_100016259895_100011827694 [0,1,1,0,0,0|2,0,0]=4 877 B12R1.112 CCSc1ccc(cc1CO)O 62a_100000210202_100012351483 [0,1,1,0,0,0|1,0,1]=4 878 B12R1.112 CCSc1ccc(cc1CO)O 62a_100012351483_100000210202 [0,1,1,0,0,0|1,0,1]=4 879 B12R1.112 CCSc1ccc(cc1OC)O 62a_100000210202_100011827694 [0,1,1,0,0,0|1,0,1]=4 880 B12R1.112 COc1cc(ccc1SCF)O 62a_100015361967_100011827694 [0,1,1,0,0,0|1,0,1]=4 881 B12R1.112 OCc1cc(ccc1SCF)O 62a_100012351483_100015361967 [0,1,1,0,0,0|1,0,1]=4 882 B12R1.112 OCc1cc(ccc1SCF)O 62a_100015361967_100012351483 [0,1,1,0,0,0|1,0,1]=4 883 B12R1.114 CC=Cc1ccc(cc1O)CO 271570a_100016259895_100000049605 [0,1,1,0,0,0|2,0,0]=4 884 B12R1.114 CC=Cc1ccc(cc1O)OC 271570a_100016259895_100000719091 [0,1,1,0,0,0|2,0,0]=4 885 B12R1.114 CCSc1ccc(cc1O)CO 62a_100000049605_100000210202 [0,1,1,0,0,0|1,0,1]=4 886 B12R1.114 CCSc1ccc(cc1O)CO 62a_100000210202_100000049605 [0,1,1,0,0,0|1,0,1]=4 887 B12R1.114 CCSc1ccc(cc1O)OC 62a_100000210202_100000719091 [0,1,1,0,0,0|1,0,1]=4 888 B12R1.114 COc1ccc(c(c1)O)SCF 62a_100015361967_100000719091 [0,1,1,0,0,0|1,0,1]=4 889 B12R1.114 OCc1ccc(c(c1)O)SCF 62a_100000049605_100015361967 [0,1,1,0,0,0|1,0,1]=4 890 B12R1.114 OCc1ccc(c(c1)O)SCF 62a_100015361967_100000049605 [0,1,1,0,0,0|1,0,1]=4 891 B12R1.1095 CC=Cc1c(cc(cc1O)O)O 271570a_100016259895_200010341185 [0,1,1,0,0,0|2,0,0]=4 892 B12R1.1095 CCSc1c(cc(cc1O)O)O 62a_100000210202_200010341185 [0,1,1,0,0,0|1,0,1]=4 893 B12R1.1095 Oc1cc(c(c(c1)O)SCF)O 62a_100015361967_200010341185 [0,1,1,0,0,0|1,0,1]=4 894 B12R1.50 C#CC(=O)Cc1cccc(c1)O 1458a_100000211873_100011660834 [0,1,1,0,0,0|2,0,0]=4 895 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,1,1,0,0,0|2,0,0]=4 896 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,1,1,0,0,0|2,0,0]=4 897 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,1,1,0,0,0|2,0,0]=4 898 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,1,1,0,0,0|2,0,0]=4 899 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,1,1,0,0,0|2,0,0]=4 900 B12R1.50 CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210414 [0,1,1,0,0,0|2,0,0]=4 901 B12R1.50 CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210414 [0,1,1,0,0,0|2,0,0]=4 902 B12R1.50 CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210414 [0,1,1,0,0,0|2,0,0]=4 903 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,1,1,0,0,0|2,0,0]=4 904 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,1,1,0,0,0|2,0,0]=4 905 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [0,1,1,0,0,0|2,0,0]=4 906 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [0,1,1,0,0,0|2,0,0]=4 907 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [0,1,1,0,0,0|1,1,0]=4 908 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [0,1,1,0,0,0|2,0,0]=4 909 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [0,1,1,0,0,0|1,1,0]=4 910 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,1,1,0,0,0|1,1,0]=4 911 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,1,1,0,0,0|1,1,0]=4 912 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)O 1626a_100000123917_100015343762 [0,1,1,0,0,0|2,0,0]=4 913 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)O 22a_100000123917_100000070787 [0,1,1,0,0,0|2,0,0]=4 914 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100015343762 [0,1,1,0,0,0|2,0,0]=4 915 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000070787 [0,1,1,0,0,0|2,0,0]=4 916 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 527a_100011995906_100103153847 [0,1,1,0,0,0|2,0,0]=4 917 B12R1.101 CC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100103153847 [0,1,1,0,0,0|2,0,0]=4 918 B12R1.101 CC(=O)Oc1cc(cc(c1)F)O 271570a_203496583355_200015324874 [0,1,1,0,0,0|1,0,0]=3 919 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [0,1,1,0,0,0|2,0,0]=4 920 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [0,1,1,0,0,0|2,0,0]=4 921 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000070787 [0,1,1,0,0,0|2,0,0]=4 922 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100103153847 [0,1,1,0,0,0|2,0,0]=4 923 B12R1.127 CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000070787 [0,1,1,0,0,0|2,0,0]=4 924 B12R1.127 CC(=O)Nc1cc(ccc1C)O 271570a_203496583355_100011344836 [0,1,1,0,0,0|2,0,0]=4 925 B12R1.127 CC(=O)Nc1cc(ccc1C)O 527a_100011216113_100103153847 [0,1,1,0,0,0|2,0,0]=4 926 B12R1.127 CC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100103153847 [0,1,1,0,0,0|2,0,0]=4 927 B12R1.127 CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100015343762 [0,1,1,0,0,0|2,0,0]=4 928 B12R1.127 CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000070787 [0,1,1,0,0,0|2,0,0]=4 929 B12R1.127 CC(=O)Nc1cc(ccc1F)O 271570a_203496583355_200011951791 [0,1,1,0,0,0|2,0,0]=4 930 B12R1.127 CC(=O)Nc1cc(ccc1F)O 527a_100012017239_100103153847 [0,1,1,0,0,0|2,0,0]=4 931 B12R1.127 CC(=O)Oc1cc(ccc1C)O 271570a_203496583355_100103282185 [0,1,1,0,0,0|1,0,0]=3 932 B12R1.127 CC(=O)Oc1cc(ccc1O)F 271570a_203496583355_200015685721 [0,1,1,0,0,0|2,0,0]=4 933 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [0,1,1,0,0,0|2,0,0]=4 934 B12R1.224 CC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000070787 [0,1,1,0,0,0|2,0,0]=4 935 B12R1.224 CC(=O)Nc1cccc(c1C)O 11a_100011216573_100015343762 [0,1,1,0,0,0|2,0,0]=4 936 B12R1.224 CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000070787 [0,1,1,0,0,0|2,0,0]=4 937 B12R1.224 CC(=O)Nc1cccc(c1C)O 527a_100011216573_100103153847 [0,1,1,0,0,0|2,0,0]=4 938 B12R1.224 CC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000070787 [0,1,1,0,0,0|2,0,0]=4 939 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [0,1,1,0,0,0|2,0,0]=4 940 B12R1.438 C=Cc1cccc(c1)OC(=O)C 271570a_100011290941_100009811612 [0,1,1,0,0,0|2,0,0]=4 941 B12R1.438 CC(=O)Cc1cccc(c1)CO 1458a_100000070787_100010188025 [0,1,1,0,0,0|2,0,0]=4 942 B12R1.438 CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000070787 [0,1,1,0,0,0|2,0,0]=4 943 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [0,1,1,0,0,0|2,0,0]=4 944 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [0,1,1,0,0,0|2,0,0]=4 945 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [0,1,1,0,0,0|1,0,0]=3 946 B12R1.438 CC(=O)Oc1cccc(c1)S[13CH3] 62a_200025704644_100009811612 [0,1,1,0,0,0|1,1,0]=4 947 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [0,1,1,0,0,0|2,0,0]=4 948 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [0,1,1,0,0,0|2,0,0]=4 949 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [0,1,1,0,0,0|2,0,0]=4 950 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [0,1,1,0,0,0|2,0,0]=4 951 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [0,1,1,0,0,0|2,0,0]=4 952 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [0,1,1,0,0,0|2,0,0]=4 953 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [0,1,1,0,0,0|2,0,0]=4 954 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [0,1,1,0,0,0|2,0,0]=4 955 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [0,1,1,0,0,0|2,0,0]=4 956 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [0,1,1,0,0,0|2,0,0]=4 957 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [0,1,1,0,0,0|2,0,0]=4 958 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [0,1,1,0,0,0|2,0,0]=4 959 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [0,1,1,0,0,0|2,0,0]=4 960 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [0,1,1,0,0,0|1,0,0]=3 961 B12R1.438 CSc1cccc(c1)OC(=O)C 62a_200000210301_100009811612 [0,1,1,0,0,0|1,1,0]=4 962 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [0,1,1,0,0,0|2,0,0]=4 963 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [0,1,1,0,0,0|2,0,0]=4 964 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [0,1,1,0,0,0|2,0,0]=4 965 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [0,1,1,0,0,0|2,0,0]=4 966 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 34a_100012002257_200009817547 [0,1,1,0,0,0|2,0,0]=4 967 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 7a_100012002257_200015260668 [0,1,1,0,0,0|2,0,0]=4 968 B12R1.374 Cc1ccc(c(c1)OCC=O)C 34a_100000210931_200009817547 [0,1,1,0,0,0|2,0,0]=4 969 B12R1.374 Cc1ccc(c(c1)OCC=O)C 7a_100000210931_200015260668 [0,1,1,0,0,0|2,0,0]=4 970 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 34a_100000211493_200009817547 [0,1,1,0,0,0|2,0,0]=4 971 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 7a_100000211493_200015260668 [0,1,1,0,0,0|2,0,0]=4 972 B12R1.374 Cc1ccc(c(c1)OCC=O)F 34a_100000759540_200009817547 [0,1,1,0,0,0|2,0,0]=4 973 B12R1.374 Cc1ccc(c(c1)OCC=O)F 7a_100000759540_200015260668 [0,1,1,0,0,0|2,0,0]=4 974 B12R1.374 Cc1ccc(c(c1)OCC=O)N 34a_100000211527_200009817547 [0,1,1,0,0,0|2,0,0]=4 975 B12R1.374 Cc1ccc(c(c1)OCC=O)N 7a_100000211527_200015260668 [0,1,1,0,0,0|2,0,0]=4 976 B12R1.374 Cc1ccc(cc1NCC=O)O 34a_100011216113_200009817547 [0,1,1,0,0,0|2,0,0]=4 977 B12R1.374 Cc1ccc(cc1OCC=O)Br 34a_100000685420_200009817547 [0,1,1,0,0,0|2,0,0]=4 978 B12R1.374 Cc1ccc(cc1OCC=O)Br 7a_100000685420_200015260668 [0,1,1,0,0,0|2,0,0]=4 979 B12R1.374 Cc1ccc(cc1OCC=O)Cl 34a_100000756515_200009817547 [0,1,1,0,0,0|2,0,0]=4 980 B12R1.374 Cc1ccc(cc1OCC=O)Cl 7a_100000756515_200015260668 [0,1,1,0,0,0|2,0,0]=4 981 B12R1.374 Cc1ccc(cc1OCC=O)F 34a_100000690566_200009817547 [0,1,1,0,0,0|2,0,0]=4 982 B12R1.374 Cc1ccc(cc1OCC=O)F 7a_100000690566_200015260668 [0,1,1,0,0,0|2,0,0]=4 983 B12R1.374 Cc1ccc(cc1OCC=O)I 7a_100000766334_200015260668 [0,1,1,0,0,0|2,0,0]=4 984 B12R1.374 Cc1ccc(cc1OCC=O)N 34a_100000759471_200009817547 [0,1,1,0,0,0|2,0,0]=4 985 B12R1.374 Cc1ccc(cc1OCC=O)N 7a_100000759471_200015260668 [0,1,1,0,0,0|2,0,0]=4 986 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_100011380479_200015260668 [0,1,1,0,0,0|1,1,0]=4 987 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_200015260668_100011380479 [0,1,1,0,0,0|1,1,0]=4 988 B12R1.374 Nc1ccc(c(c1)OCC=O)Cl 34a_100011934209_200009817547 [0,1,1,0,0,0|2,0,0]=4 989 B12R1.374 Nc1ccc(c(c1)OCC=O)F 34a_100012017398_200009817547 [0,1,1,0,0,0|2,0,0]=4 990 B12R1.374 Nc1ccc(c(c1)OCC=O)F 7a_100012017398_200015260668 [0,1,1,0,0,0|2,0,0]=4 991 B12R1.374 Nc1ccc(c(c1)OCC=O)N 34a_100025717382_200009817547 [0,1,1,0,0,0|2,0,0]=4 992 B12R1.374 Nc1ccc(cc1OCC=O)Br 34a_100000739049_200009817547 [0,1,1,0,0,0|2,0,0]=4 993 B12R1.374 Nc1ccc(cc1OCC=O)Br 7a_100000739049_200015260668 [0,1,1,0,0,0|2,0,0]=4 994 B12R1.374 Nc1ccc(cc1OCC=O)Cl 34a_100000185728_200009817547 [0,1,1,0,0,0|2,0,0]=4 995 B12R1.374 Nc1ccc(cc1OCC=O)Cl 7a_100000185728_200015260668 [0,1,1,0,0,0|2,0,0]=4 996 B12R1.374 Nc1ccc(cc1OCC=O)F 34a_100000753323_200009817547 [0,1,1,0,0,0|2,0,0]=4 997 B12R1.374 Nc1ccc(cc1OCC=O)F 7a_100000753323_200015260668 [0,1,1,0,0,0|2,0,0]=4 998 B12R1.374 Nc1ccc(cc1OCC=O)I 34a_100000057187_200009817547 [0,1,1,0,0,0|2,0,0]=4 999 B12R1.374 Nc1ccc(cc1OCC=O)I 7a_100000057187_200015260668 [0,1,1,0,0,0|2,0,0]=4 1000 B12R1.374 Nc1ccc(cc1SCC=O)O 62a_100012001276_200015260668 [0,1,1,0,0,0|1,1,0]=4 1001 B12R1.374 Nc1ccc(cc1SCC=O)O 62a_200015260668_100012001276 [0,1,1,0,0,0|1,1,0]=4 1002 B12R1.374 O=CCNc1cc(ccc1Br)O 34a_100011999798_200009817547 [0,1,1,0,0,0|2,0,0]=4 1003 B12R1.374 O=CCNc1cc(ccc1Cl)O 34a_100011934297_200009817547 [0,1,1,0,0,0|2,0,0]=4 1004 B12R1.374 O=CCNc1cc(ccc1F)O 34a_100012017239_200009817547 [0,1,1,0,0,0|2,0,0]=4 1005 B12R1.374 O=CCOc1cc(ccc1Br)Br 34a_100011220040_200009817547 [0,1,1,0,0,0|2,0,0]=4 1006 B12R1.374 O=CCOc1cc(ccc1Br)Br 7a_100011220040_200015260668 [0,1,1,0,0,0|2,0,0]=4 1007 B12R1.374 O=CCOc1cc(ccc1Br)Cl 34a_100012339455_200009817547 [0,1,1,0,0,0|2,0,0]=4 1008 B12R1.374 O=CCOc1cc(ccc1Br)Cl 7a_100012339455_200015260668 [0,1,1,0,0,0|2,0,0]=4 1009 B12R1.374 O=CCOc1cc(ccc1Br)F 34a_100000690578_200009817547 [0,1,1,0,0,0|2,0,0]=4 1010 B12R1.374 O=CCOc1cc(ccc1Br)F 7a_100000690578_200015260668 [0,1,1,0,0,0|2,0,0]=4 1011 B12R1.374 O=CCOc1cc(ccc1Br)I 34a_100012356990_200009817547 [0,1,1,0,0,0|2,0,0]=4 1012 B12R1.374 O=CCOc1cc(ccc1Br)I 7a_100012356990_200015260668 [0,1,1,0,0,0|2,0,0]=4 1013 B12R1.374 O=CCOc1cc(ccc1Cl)Br 34a_100000738945_200009817547 [0,1,1,0,0,0|2,0,0]=4 1014 B12R1.374 O=CCOc1cc(ccc1Cl)Br 7a_100000738945_200015260668 [0,1,1,0,0,0|2,0,0]=4 1015 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 34a_100000211422_200009817547 [0,1,1,0,0,0|2,0,0]=4 1016 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 7a_100000211422_200015260668 [0,1,1,0,0,0|2,0,0]=4 1017 B12R1.374 O=CCOc1cc(ccc1Cl)F 34a_100000692107_200009817547 [0,1,1,0,0,0|2,0,0]=4 1018 B12R1.374 O=CCOc1cc(ccc1Cl)F 7a_100000692107_200015260668 [0,1,1,0,0,0|2,0,0]=4 1019 B12R1.374 O=CCOc1cc(ccc1Cl)I 34a_100011356854_200009817547 [0,1,1,0,0,0|2,0,0]=4 1020 B12R1.374 O=CCOc1cc(ccc1Cl)I 7a_100011356854_200015260668 [0,1,1,0,0,0|2,0,0]=4 1021 B12R1.374 O=CCOc1cc(ccc1F)Br 34a_100000686035_200009817547 [0,1,1,0,0,0|2,0,0]=4 1022 B12R1.374 O=CCOc1cc(ccc1F)Br 7a_100000686035_200015260668 [0,1,1,0,0,0|2,0,0]=4 1023 B12R1.374 O=CCOc1cc(ccc1F)Cl 34a_100000757397_200009817547 [0,1,1,0,0,0|2,0,0]=4 1024 B12R1.374 O=CCOc1cc(ccc1F)Cl 7a_100000757397_200015260668 [0,1,1,0,0,0|2,0,0]=4 1025 B12R1.374 O=CCOc1cc(ccc1F)F 34a_100000752141_200009817547 [0,1,1,0,0,0|2,0,0]=4 1026 B12R1.374 O=CCOc1cc(ccc1F)F 7a_100000752141_200015260668 [0,1,1,0,0,0|2,0,0]=4 1027 B12R1.374 O=CCOc1cc(ccc1F)I 34a_100009958187_200009817547 [0,1,1,0,0,0|2,0,0]=4 1028 B12R1.374 O=CCOc1cc(ccc1F)I 7a_100009958187_200015260668 [0,1,1,0,0,0|2,0,0]=4 1029 B12R1.374 O=CCOc1cc(ccc1I)Br 34a_100012344904_200009817547 [0,1,1,0,0,0|2,0,0]=4 1030 B12R1.374 O=CCOc1cc(ccc1I)Br 7a_100012344904_200015260668 [0,1,1,0,0,0|2,0,0]=4 1031 B12R1.374 O=CCOc1cc(ccc1I)Cl 34a_100000050036_200009817547 [0,1,1,0,0,0|2,0,0]=4 1032 B12R1.374 O=CCOc1cc(ccc1I)Cl 7a_100000050036_200015260668 [0,1,1,0,0,0|2,0,0]=4 1033 B12R1.374 O=CCOc1cc(ccc1I)F 34a_100010084537_200009817547 [0,1,1,0,0,0|2,0,0]=4 1034 B12R1.374 O=CCOc1cc(ccc1I)F 7a_100010084537_200015260668 [0,1,1,0,0,0|2,0,0]=4 1035 B12R1.374 O=CCSc1cc(ccc1Br)O 62a_100012339312_200015260668 [0,1,1,0,0,0|1,1,0]=4 1036 B12R1.374 O=CCSc1cc(ccc1Br)O 62a_200015260668_100012339312 [0,1,1,0,0,0|1,1,0]=4 1037 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_100000049588_200015260668 [0,1,1,0,0,0|1,1,0]=4 1038 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_200015260668_100000049588 [0,1,1,0,0,0|1,1,0]=4 1039 B12R1.374 O=CCSc1cc(ccc1F)O 62a_100000693481_200015260668 [0,1,1,0,0,0|1,1,0]=4 1040 B12R1.374 O=CCSc1cc(ccc1F)O 62a_200015260668_100000693481 [0,1,1,0,0,0|1,1,0]=4 1041 B12R1.374 O=CCSc1cc(ccc1O)O 62a_200015260668_100009813629 [0,1,1,0,0,0|0,2,0]=4 1042 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [1,1,0,0,0,0|1,0,1]=4 1043 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [1,1,0,0,0,0|2,0,0]=4 1044 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [1,1,0,0,0,0|2,0,0]=4 1045 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [1,1,0,0,0,0|2,0,0]=4 1046 B12R2.32 C=Cc1cc2ccccc2s1 271570a_100011290941_100009816949 [1,1,0,0,0,0|2,0,0]=4 1047 B12R2.32 C=Cc1nc2ccccc2s1 271570a_100011290941_100000751744 [1,1,0,0,0,0|2,0,0]=4 1048 B12R2.32 CNc1nc2ccccc2s1 27a_100102657272_100000751744 [1,1,0,0,0,0|2,0,0]=4 1049 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [1,1,0,0,0,0|1,1,0]=4 1050 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [1,1,0,0,0,0|1,1,0]=4 1051 B12R2.32 CSc1nc2ccccc2s1 62a_200000210301_100000751744 [1,1,0,0,0,0|1,1,0]=4 1052 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [1,1,0,0,0,0|1,1,0]=4 1053 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [1,1,0,0,0,0|1,1,0]=4 1054 B12R2.32 [13CH3]Sc1nc2ccccc2s1 62a_200025704644_100000751744 [1,1,0,0,0,0|1,1,0]=4 1055 B12R2.202 Cc1cccc2c1nc(s2)O 271570a_203496583355_100010008827 [1,1,0,0,0,0|1,0,1]=4 1056 B12R2.202 Cc1nc2c(cccc2o1)O 271570a_203496583355_100010883239 [1,1,0,0,0,0|2,0,0]=4 1057 B12R2.202 Cc1nc2c(cccc2s1)O 271570a_203496583355_100010236672 [1,1,0,0,0,0|2,0,0]=4 1058 B12R2.202 Cc1nc2cccc(c2o1)O 271570a_203496583355_100010168998 [1,1,0,0,0,0|2,0,0]=4 1059 B12R2.202 Cc1nc2cccc(c2s1)O 271570a_203496583355_100010236699 [1,1,0,0,0,0|2,0,0]=4 1060 B12R2.202 Nc1cc2cccc(c2s1)O 271570a_203496583355_100010090802 [1,1,0,0,0,0|2,0,0]=4 1061 B12R2.202 Nc1nc2c(cccc2s1)O 271570a_203496583355_100000724365 [1,1,0,0,0,0|2,0,0]=4 1062 B12R2.202 Nc1nc2cccc(c2o1)O 271570a_203496583355_100012347120 [1,1,0,0,0,0|2,0,0]=4 1063 B12R2.202 Nc1nc2cccc(c2s1)O 271570a_203496583355_100010235960 [1,1,0,0,0,0|2,0,0]=4 1064 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [1,1,0,0,0,0|2,0,0]=4 1065 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [1,1,0,0,0,0|2,0,0]=4 1066 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [1,1,0,0,0,0|2,0,0]=4 1067 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [1,1,0,0,0,0|1,0,0]=3 1068 B12R2.202 Oc1nc2c(cccc2s1)F 271570a_203496583355_100010008856 [1,1,0,0,0,0|1,0,1]=4 1069 B12R2.44 C=Cc1ccc2ccoc2c1 271570a_100011290941_100000759542 [1,1,0,0,0,0|2,0,0]=4 1070 B12R2.44 C=Cc1ccc2ncoc2c1 271570a_100011290941_100009817590 [1,1,0,0,0,0|2,0,0]=4 1071 B12R2.44 C=Cc1ccc2sccc2c1 271570a_100011290941_100009814439 [1,1,0,0,0,0|2,0,0]=4 1072 B12R2.44 C=Cc1ccc2scnc2c1 271570a_100011290941_100010005895 [1,1,0,0,0,0|2,0,0]=4 1073 B12R2.44 CNc1ccc2ccoc2c1 34a_100000102395_200000210301 [1,1,0,0,0,0|2,0,0]=4 1074 B12R2.44 CNc1ccc2ncoc2c1 34a_100011248239_200000210301 [1,1,0,0,0,0|2,0,0]=4 1075 B12R2.44 CNc1ccc2sccc2c1 34a_100000681076_200000210301 [1,1,0,0,0,0|2,0,0]=4 1076 B12R2.44 CNc1ccc2scnc2c1 34a_100000047738_200000210301 [1,1,0,0,0,0|2,0,0]=4 1077 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [1,1,0,0,0,0|2,0,0]=4 1078 B12R2.44 COc1ccc2c(c1)OCO2 34a_100000210298_200000210301 [1,1,0,0,0,0|0,1,1]=4 1079 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [1,1,0,0,0,0|2,0,0]=4 1080 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [1,1,0,0,0,0|1,0,0]=3 1081 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [1,1,0,0,0,0|1,0,0]=3 1082 B12R2.44 COc1ccc2cnoc2c1 34a_100000098417_200000210301 [1,1,0,0,0,0|2,0,0]=4 1083 B12R2.44 COc1ccc2cnoc2c1 7a_100000098417_200000210301 [1,1,0,0,0,0|2,0,0]=4 1084 B12R2.44 COc1ccc2ncsc2c1 34a_100011995850_200000210301 [1,1,0,0,0,0|1,1,0]=4 1085 B12R2.44 COc1ccc2ncsc2c1 7a_100011995850_200000210301 [1,1,0,0,0,0|1,1,0]=4 1086 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [1,1,0,0,0,0|1,1,0]=4 1087 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [1,1,0,0,0,0|1,1,0]=4 1088 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [1,1,0,0,0,0|1,0,0]=3 1089 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [1,1,0,0,0,0|1,0,0]=3 1090 B12R2.44 COc1ccc2scnc2c1 34a_200009850626_200000210301 [1,1,0,0,0,0|1,0,0]=3 1091 B12R2.44 COc1ccc2scnc2c1 7a_200009850626_200000210301 [1,1,0,0,0,0|1,0,0]=3 1092 B12R2.44 CSc1ccc2ccoc2c1 62a_200000210301_100000759542 [1,1,0,0,0,0|1,1,0]=4 1093 B12R2.44 CSc1ccc2ncoc2c1 62a_200000210301_100009817590 [1,1,0,0,0,0|1,1,0]=4 1094 B12R2.44 CSc1ccc2sccc2c1 62a_200000210301_100009814439 [1,1,0,0,0,0|1,1,0]=4 1095 B12R2.44 CSc1ccc2scnc2c1 62a_200000210301_100010005895 [1,1,0,0,0,0|1,1,0]=4 1096 B12R2.44 [13CH3]Nc1ccc2ccoc2c1 34a_100000102395_200025704644 [1,1,0,0,0,0|2,0,0]=4 1097 B12R2.44 [13CH3]Nc1ccc2ncoc2c1 34a_100011248239_200025704644 [1,1,0,0,0,0|2,0,0]=4 1098 B12R2.44 [13CH3]Nc1ccc2sccc2c1 34a_100000681076_200025704644 [1,1,0,0,0,0|2,0,0]=4 1099 B12R2.44 [13CH3]Nc1ccc2scnc2c1 34a_100000047738_200025704644 [1,1,0,0,0,0|2,0,0]=4 1100 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [1,1,0,0,0,0|2,0,0]=4 1101 B12R2.44 [13CH3]Oc1ccc2c(c1)OCO2 34a_100000210298_200025704644 [1,1,0,0,0,0|0,1,1]=4 1102 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [1,1,0,0,0,0|2,0,0]=4 1103 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [1,1,0,0,0,0|1,0,0]=3 1104 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [1,1,0,0,0,0|1,0,0]=3 1105 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 34a_100000098417_200025704644 [1,1,0,0,0,0|2,0,0]=4 1106 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 7a_100000098417_200025704644 [1,1,0,0,0,0|2,0,0]=4 1107 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 34a_100011995850_200025704644 [1,1,0,0,0,0|1,1,0]=4 1108 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 7a_100011995850_200025704644 [1,1,0,0,0,0|1,1,0]=4 1109 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [1,1,0,0,0,0|1,1,0]=4 1110 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [1,1,0,0,0,0|1,1,0]=4 1111 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [1,1,0,0,0,0|1,0,0]=3 1112 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [1,1,0,0,0,0|1,0,0]=3 1113 B12R2.44 [13CH3]Oc1ccc2scnc2c1 34a_200009850626_200025704644 [1,1,0,0,0,0|1,0,0]=3 1114 B12R2.44 [13CH3]Oc1ccc2scnc2c1 7a_200009850626_200025704644 [1,1,0,0,0,0|1,0,0]=3 1115 B12R2.44 [13CH3]Sc1ccc2ccoc2c1 62a_200025704644_100000759542 [1,1,0,0,0,0|1,1,0]=4 1116 B12R2.44 [13CH3]Sc1ccc2ncoc2c1 62a_200025704644_100009817590 [1,1,0,0,0,0|1,1,0]=4 1117 B12R2.44 [13CH3]Sc1ccc2sccc2c1 62a_200025704644_100009814439 [1,1,0,0,0,0|1,1,0]=4 1118 B12R2.44 [13CH3]Sc1ccc2scnc2c1 62a_200025704644_100010005895 [1,1,0,0,0,0|1,1,0]=4 1119 B12R2.82 Cc1c(ccc2c1OCO2)O 271570a_203496583355_100010335860 [1,1,0,0,0,0|0,1,1]=4 1120 B12R2.82 Cc1c(ccc2c1[nH]cc2)O 271570a_203496583355_100009816929 [1,1,0,0,0,0|2,0,0]=4 1121 B12R2.82 Cc1c(ccc2c1cc[nH]2)O 271570a_203496583355_100010731972 [1,1,0,0,0,0|2,0,0]=4 1122 B12R2.82 Cc1c(ccc2c1nc[nH]2)O 271570a_203496583355_100010009745 [1,1,0,0,0,0|2,0,0]=4 1123 B12R2.82 Nc1c(ccc2c1scn2)O 271570a_203496583355_100010998030 [1,1,0,0,0,0|1,1,0]=4 1124 B12R2.82 Nc1ccc2scnc2c1O 271570a_203496583355_100009816736 [1,1,0,0,0,0|2,0,0]=4 1125 B12R2.82 Oc1c(ccc2c1ocn2)F 271570a_203496583355_100010870391 [1,1,0,0,0,0|2,0,0]=4 1126 B12R2.82 Oc1ccc2[nH]ccc2c1F 271570a_203496583355_100000700836 [1,1,0,0,0,0|2,0,0]=4 1127 B12R2.82 Oc1ccc2c(c1F)OCO2 271570a_203496583355_100010223184 [1,1,0,0,0,0|0,1,1]=4 1128 B12R2.100 Cc1cc2[nH]ccc2cc1O 271570a_203496583355_100010199648 [1,1,0,0,0,0|2,0,0]=4 1129 B12R2.100 Cc1cc2cc[nH]c2cc1O 271570a_203496583355_100010199660 [1,1,0,0,0,0|2,0,0]=4 1130 B12R2.100 Cc1cc2ccsc2cc1O 271570a_203496583355_100010762285 [1,1,0,0,0,0|1,1,0]=4 1131 B12R2.100 Cc1cc2nc[nH]c2cc1O 271570a_203496583355_200010107306 [1,1,0,0,0,0|2,0,0]=4 1132 B12R2.100 Nc1cc2[nH]ccc2cc1O 271570a_203496583355_100010212544 [1,1,0,0,0,0|2,0,0]=4 1133 B12R2.100 Nc1cc2[nH]cnc2cc1O 271570a_203496583355_200010336578 [1,1,0,0,0,0|2,0,0]=4 1134 B12R2.100 Nc1cc2c(cc1O)OCO2 271570a_203496583355_100012557033 [1,1,0,0,0,0|0,1,1]=4 1135 B12R2.100 Oc1cc2[nH]ccc2cc1Br 271570a_203496583355_100000703010 [1,1,0,0,0,0|2,0,0]=4 1136 B12R2.100 Oc1cc2[nH]ccc2cc1F 271570a_203496583355_100009817181 [1,1,0,0,0,0|2,0,0]=4 1137 B12R2.100 Oc1cc2c(cc1O)OCO2 271570a_203496583355_100010290809 [1,1,0,0,0,0|0,1,1]=4 1138 B12R2.100 Oc1cc2cc[nH]c2cc1F 271570a_203496583355_100000731065 [1,1,0,0,0,0|2,0,0]=4 1139 B12R2.100 Oc1cc2nc[nH]c2cc1F 271570a_203496583355_100012361300 [1,1,0,0,0,0|2,0,0]=4 1140 B12R2.132 Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009816687 [1,1,0,0,0,0|2,0,0]=4 1141 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [1,1,0,0,0,0|1,1,0]=4 1142 B12R2.132 Cc1csc2c1cc(cc2)O 271570a_203496583355_100009814196 [1,1,0,0,0,0|1,0,0]=3 1143 B12R2.132 Cn1ccc2c1cc(cc2)O 271570a_203496583355_100011934912 [1,1,0,0,0,0|2,0,0]=4 1144 B12R2.132 Cn1cnc2c1cc(cc2)O 271570a_203496583355_100000702186 [1,1,0,0,0,0|2,0,0]=4 1145 B12R2.132 Nc1ccc2scc(c2c1)O 271570a_203496583355_100011178648 [1,1,0,0,0,0|2,0,0]=4 1146 B12R2.132 Nc1nsc2c1cc(cc2)O 271570a_203496583355_100010244976 [1,1,0,0,0,0|2,0,0]=4 1147 B12R2.246 Cc1cc(cc2c1[nH]cc2)O 271570a_203496583355_100009817142 [1,1,0,0,0,0|2,0,0]=4 1148 B12R2.246 Cc1cc(cc2c1nc[nH]2)O 271570a_203496583355_100000239325 [1,1,0,0,0,0|2,0,0]=4 1149 B12R2.246 Cc1cc(cc2c1occ2)O 271570a_203496583355_100012361858 [1,1,0,0,0,0|1,1,0]=4 1150 B12R2.246 Nc1cc(c2scnc2c1)O 271570a_203496583355_200010333430 [1,1,0,0,0,0|2,0,0]=4 1151 B12R2.246 Nc1cc(cc2c1[nH]cc2)O 271570a_203496583355_100009813507 [1,1,0,0,0,0|2,0,0]=4 1152 B12R2.246 Nc1cc(cc2c1cc[nH]2)O 271570a_203496583355_106744500199 [1,1,0,0,0,0|2,0,0]=4 1153 B12R2.246 Oc1cc(c2[nH]ccc2c1)F 271570a_203496583355_100010138380 [1,1,0,0,0,0|2,0,0]=4 1154 B12R2.246 Oc1cc(c2cc[nH]c2c1)Br 271570a_203496583355_100009814775 [1,1,0,0,0,0|2,0,0]=4 1155 B12R2.246 Oc1cc(c2cc[nH]c2c1)F 271570a_203496583355_100010186028 [1,1,0,0,0,0|2,0,0]=4 1156 B12R2.246 Oc1cc(c2occc2c1)F 271570a_203496583355_100012355474 [1,1,0,0,0,0|1,1,0]=4 1157 B12R2.246 Oc1cc(c2occc2c1)O 271570a_203496583355_200010248604 [1,1,0,0,0,0|1,1,0]=4 1158 B12R2.246 Oc1cc(cc2c1nco2)F 271570a_203496583355_100016120941 [1,1,0,0,0,0|2,0,0]=4 1159 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [1,1,0,0,0,0|2,0,0]=4 1160 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [1,1,0,0,0,0|1,0,0]=3 1161 B12R2.612 Cc1noc2c1ccc(c2)O 271570a_203496583355_100009815287 [1,1,0,0,0,0|2,0,0]=4 1162 B12R2.612 Cn1ccc2c1ccc(c2)O 271570a_203496583355_100011202928 [1,1,0,0,0,0|2,0,0]=4 1163 B12R2.612 Cn1cnc2c1ccc(c2)O 271570a_203496583355_100000718706 [1,1,0,0,0,0|2,0,0]=4 1164 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [1,1,0,0,0,0|1,0,1]=4 1165 B12R2.612 Nc1noc2c1ccc(c2)O 271570a_203496583355_100012356334 [1,1,0,0,0,0|2,0,0]=4 1166 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [1,1,0,0,0,0|2,0,0]=4 1167 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [1,1,0,0,0,0|1,0,1]=4 1168 B12R2.612 Oc1ccc2c(noc2c1)O 271570a_203496583355_100000727085 [1,1,0,0,0,0|2,0,0]=4 1169 B14R2.134 C=Cc1ccc2c(c1)NC(=O)CS2 271570a_100011290941_100012361575 [0,1,0,0,0,1|2,0,0]=4 1170 B14R2.134 C=Cc1ccc2ccc(=O)oc2c1 271570a_100011290941_100009993525 [0,1,0,0,0,1|2,0,0]=4 1171 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 34a_200000081095_200000210301 [0,1,0,0,0,1|2,0,0]=4 1172 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 7a_200000081095_200000210301 [0,1,0,0,0,1|2,0,0]=4 1173 B14R2.134 COc1ccc2c(c1)NC(=O)CC2 34a_100000708604_200000210301 [0,1,0,0,0,1|2,0,0]=4 1174 B14R2.134 COc1ccc2c(c1)NC(=O)CO2 34a_100009876821_200000210301 [0,1,0,0,0,1|1,1,0]=4 1175 B14R2.134 COc1ccc2c(c1)OC(=O)CC2 7a_100000044819_200000210301 [0,1,0,0,0,1|1,0,0]=3 1176 B14R2.134 COc1ccc2ccc(=O)oc2c1 34a_100000185914_200000210301 [0,1,0,0,0,1|1,0,0]=3 1177 B14R2.134 COc1ccc2ccc(=O)oc2c1 7a_100000185914_200000210301 [0,1,0,0,0,1|1,0,0]=3 1178 B14R2.134 CSc1ccc2ccc(=O)oc2c1 62a_200000210301_100009993525 [0,1,0,0,0,1|1,1,0]=4 1179 B14R2.134 O=CC1=Cc2cc(ccc2OC1)O 271570a_203496583355_100000739462 [0,1,0,0,0,1|1,1,0]=4 1180 B14R2.134 O=Cc1ccc2ccc(cc2c1)O 271570a_203496583355_100010200085 [0,1,0,0,0,1|2,0,0]=4 1181 B14R2.134 O=Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100010174008 [0,1,0,0,0,1|2,0,0]=4 1182 B14R2.134 [13CH3]Oc1ccc2c(c1)CC(=O)CC2 34a_200000081095_200025704644 [0,1,0,0,0,1|2,0,0]=4 1183 B14R2.134 [13CH3]Oc1ccc2c(c1)CC(=O)CC2 7a_200000081095_200025704644 [0,1,0,0,0,1|2,0,0]=4 1184 B14R2.134 [13CH3]Oc1ccc2c(c1)NC(=O)CC2 34a_100000708604_200025704644 [0,1,0,0,0,1|2,0,0]=4 1185 B14R2.134 [13CH3]Oc1ccc2c(c1)NC(=O)CO2 34a_100009876821_200025704644 [0,1,0,0,0,1|1,1,0]=4 1186 B14R2.134 [13CH3]Oc1ccc2c(c1)OC(=O)CC2 7a_100000044819_200025704644 [0,1,0,0,0,1|1,0,0]=3 1187 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 34a_100000185914_200025704644 [0,1,0,0,0,1|1,0,0]=3 1188 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 7a_100000185914_200025704644 [0,1,0,0,0,1|1,0,0]=3 1189 B14R2.134 [13CH3]Sc1ccc2ccc(=O)oc2c1 62a_200025704644_100009993525 [0,1,0,0,0,1|1,1,0]=4 1190 B14R2.4513 CN1C(=O)COc2c1cc(cc2)O 271570a_203496583355_100010196913 [0,1,0,0,0,1|1,1,0]=4 1191 B14R2.4513 Cc1c(ccc2c1NC(=O)CO2)O 271570a_203496583355_100010272156 [0,1,0,0,0,1|1,1,0]=4 1192 B14R2.4513 Cn1c(=O)ccc2c1cc(cc2)O 271570a_203496583355_200010167779 [0,1,0,0,0,1|2,0,0]=4 1193 B14R2.4513 Cn1c(=O)cnc2c1cc(cc2)O 271570a_203496583355_100010221214 [0,1,0,0,0,1|2,0,0]=4 1194 B14R2.8239 CC1Oc2ccc(cc2NC1=O)O 271570a_203496583355_100000745501 [0,1,0,0,0,1|1,1,0]=4 1195 B14R2.8239 O=c1[nH]c2ccc(cc2[nH]c1=O)O 271570a_203496583355_100011221361 [0,1,0,0,0,1|2,0,0]=4 1196 B14R2.29365 Cc1cc(cc2c1OCC(=O)N2)O 271570a_203496583355_100012356449 [0,1,0,0,0,1|1,1,0]=4 1197 B14R2.29365 O=C1COc2c(cc(cc2N1)O)F 271570a_203496583355_100012356450 [0,1,0,0,0,1|1,1,0]=4 1198 B14R2.29365 O=c1[nH]c(=O)c2ccc(cc2[nH]1)O 271570a_203496583355_100012351534 [0,1,0,0,0,1|2,0,0]=4 1199 B14R2.29365 O=c1[nH]c2cc(ccc2c(=O)o1)O 271570a_203496583355_100000723304 [0,1,0,0,0,1|1,1,0]=4 1200 B14R2.29365 O=c1cc(c2ccc(cc2o1)O)O 271570a_203496583355_100010062223 [0,1,0,0,0,1|1,0,0]=3 1201 B14R2.2332 C=Cc1ccc2c(c1)COC(=O)N2 271570a_100011290941_100010219366 [0,1,0,0,0,1|2,0,0]=4 1202 B14R2.2332 C=Cc1ccc2c(c1)OCC(=O)N2 271570a_100011290941_100000745508 [0,1,0,0,0,1|2,0,0]=4 1203 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 34a_100009852394_200000210301 [0,1,0,0,0,1|2,0,0]=4 1204 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 7a_100009852394_200000210301 [0,1,0,0,0,1|2,0,0]=4 1205 B14R2.2332 COc1ccc2c(c1)CCC(=O)N2 34a_100000735524_200000210301 [0,1,0,0,0,1|2,0,0]=4 1206 B14R2.2332 COc1ccc2oc(=O)ccc2c1 34a_100000066265_200000210301 [0,1,0,0,0,1|1,1,0]=4 1207 B14R2.2332 COc1ccc2oc(=O)ccc2c1 7a_100000066265_200000210301 [0,1,0,0,0,1|1,1,0]=4 1208 B14R2.2332 O=Cc1ccc2cc(ccc2c1)O 271570a_203496583355_100012356508 [0,1,0,0,0,1|2,0,0]=4 1209 B14R2.2332 [13CH3]Oc1ccc2c(c1)CCC(=O)C2 34a_100009852394_200025704644 [0,1,0,0,0,1|2,0,0]=4 1210 B14R2.2332 [13CH3]Oc1ccc2c(c1)CCC(=O)C2 7a_100009852394_200025704644 [0,1,0,0,0,1|2,0,0]=4 1211 B14R2.2332 [13CH3]Oc1ccc2c(c1)CCC(=O)N2 34a_100000735524_200025704644 [0,1,0,0,0,1|2,0,0]=4 1212 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 34a_100000066265_200025704644 [0,1,0,0,0,1|1,1,0]=4 1213 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 7a_100000066265_200025704644 [0,1,0,0,0,1|1,1,0]=4 1214 B14R2.8235 Cc1cc(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100009820897 [0,1,0,0,0,1|2,0,0]=4 1215 B14R2.8235 Cc1nc2ccc(cc2c(=O)o1)O 271570a_203496583355_200009814615 [0,1,0,0,0,1|2,0,0]=4 1216 B14R2.8235 O=C1CCc2cc(cc(c2N1)O)O 271570a_203496583355_100021432387 [0,1,0,0,0,1|2,0,0]=4 1217 B14R2.8235 O=C1Cc2ccc(cc2C(=O)N1)O 271570a_203496583355_100010161110 [0,1,0,0,0,1|2,0,0]=4 1218 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011934062 [0,1,0,0,0,1|2,0,0]=4 1219 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2o1)O 271570a_203496583355_200000725568 [0,1,0,0,0,1|1,1,0]=4 1220 B14R2.8235 O=c1[nH]c2ccc(cc2c(=O)o1)O 271570a_203496583355_100000216498 [0,1,0,0,0,1|1,0,0]=3 1221 B14R2.8235 O=c1cc(c2cc(ccc2[nH]1)O)O 271570a_203496583355_100000695641 [0,1,0,0,0,1|2,0,0]=4 1222 B14R2.8235 O=c1cc(c2cc(ccc2o1)O)O 271570a_203496583355_100009814091 [0,1,0,0,0,1|1,1,0]=4 1223 B14R2.8235 O=c1ccc2cc(cc(c2[nH]1)F)O 271570a_203496583355_100012034177 [0,1,0,0,0,1|2,0,0]=4 1224 B14R2.29369 CN1C(=O)CCc2c1ccc(c2)O 271570a_203496583355_100000699942 [0,1,0,0,0,1|2,0,0]=4 1225 B14R2.29369 CN1C(=O)COc2c1ccc(c2)O 271570a_203496583355_100010240413 [0,1,0,0,0,1|1,0,0]=3 1226 B14R2.29369 O=C1C=Cc2cc(ccc2C1=O)O 271570a_203496583355_100009812793 [0,1,0,0,0,1|2,0,0]=4 1227 B14R2.3304 C=Cc1ccc2sc(cc2c1)C=O 271570a_100011290941_100010238522 [0,2,0,0,0,0|2,0,0]=4 1228 B14R2.3304 CSc1ccc2sc(cc2c1)C=O 62a_100010238522_200000210301 [0,2,0,0,0,0|1,1,0]=4 1229 B14R2.3304 CSc1ccc2sc(cc2c1)C=O 62a_200000210301_100010238522 [0,2,0,0,0,0|1,1,0]=4 1230 B14R2.3304 [13CH3]Sc1ccc2sc(cc2c1)C=O 62a_100010238522_200025704644 [0,2,0,0,0,0|1,1,0]=4 1231 B14R2.3304 [13CH3]Sc1ccc2sc(cc2c1)C=O 62a_200025704644_100010238522 [0,2,0,0,0,0|1,1,0]=4 1232 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000181247 [0,2,0,0,0,0|1,1,0]=4 1233 B14R2.4529 CC(=O)c1nc2ccc(cc2[nH]1)O 271570a_203496583355_200011795181 [0,2,0,0,0,0|2,0,0]=4 1234 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814496 [0,2,0,0,0,0|2,0,0]=4 1235 B14R2.4529 NC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000185017 [0,2,0,0,0,0|1,1,0]=4 1236 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_100009814495 [0,2,0,0,0,0|2,0,0]=4 1237 B14R2.601 C=C(C)c1ccc2[nH]c(=O)oc2c1 271570a_100000694244_100000697996 [0,2,0,0,0,0|2,0,0]=4 1238 B14R2.601 C=C(C)c1ccc2sc(=O)[nH]c2c1 271570a_100000694244_100000239354 [0,2,0,0,0,0|2,0,0]=4 1239 B14R2.601 CC(=O)c1ccc2[nH]c(=O)oc2c1 1458a_100000744649_200000210301 [0,2,0,0,0,0|1,0,1]=4 1240 B14R2.601 [13CH3]C(=O)c1ccc2[nH]c(=O)oc2c1 1458a_100000744649_200025704644 [0,2,0,0,0,0|1,0,1]=4 1241 B14R2.1815 C=Cc1ccc2c(c1)oc(=O)n2C 271570a_100011290941_100000753874 [0,2,0,0,0,0|2,0,0]=4 1242 B14R2.2301 COc1cc(c2sc(nc2c1)N)O 271570a_203496583355_200160480953 [0,2,0,0,0,0|2,0,0]=4 1243 B14R2.6400 C=C=Cc1ccc2[nH]c(=O)oc2c1 271570a_100015277604_100000697996 [0,2,0,0,0,0|2,0,0]=4 1244 B14R2.6400 C=C=Cc1ccc2sc(=O)[nH]c2c1 271570a_100015277604_100000239354 [0,2,0,0,0,0|2,0,0]=4 1245 B14R2.6400 CC=Cc1ccc2[nH]c(=O)oc2c1 271570a_100016259895_100000697996 [0,2,0,0,0,0|2,0,0]=4 1246 B14R2.6400 CC=Cc1ccc2sc(=O)[nH]c2c1 271570a_100016259895_100000239354 [0,2,0,0,0,0|2,0,0]=4 1247 B14R2.6400 CCOc1ccc2[nH]c(=O)oc2c1 7a_200000068749_100000210202 [0,2,0,0,0,0|1,0,0]=3 1248 B14R2.6400 CCOc1ccc2c(c1)CC(=O)O2 34a_100000035078_100000210202 [0,2,0,0,0,0|1,1,0]=4 1249 B14R2.6400 CCOc1ccc2c(c1)CC(=O)O2 7a_100000035078_100000210202 [0,2,0,0,0,0|1,1,0]=4 1250 B14R2.6400 CCOc1ccc2cc(oc2c1)C 34a_100000095638_100000210202 [0,2,0,0,0,0|2,0,0]=4 1251 B14R2.6400 CCOc1ccc2cc(oc2c1)C 7a_100000095638_100000210202 [0,2,0,0,0,0|2,0,0]=4 1252 B14R2.6400 CCOc1ccc2nc(oc2c1)C 34a_100000116946_100000210202 [0,2,0,0,0,0|2,0,0]=4 1253 B14R2.6400 CCOc1ccc2nc(oc2c1)C 7a_100000116946_100000210202 [0,2,0,0,0,0|2,0,0]=4 1254 B14R2.6400 CCOc1ccc2sc(nc2c1)C 34a_100000031546_100000210202 [0,2,0,0,0,0|2,0,0]=4 1255 B14R2.6400 CCOc1ccc2sc(nc2c1)C 7a_100000031546_100000210202 [0,2,0,0,0,0|2,0,0]=4 1256 B14R2.6400 CCOc1ccc2sc(nc2c1)N 7a_100000066538_100000210202 [0,2,0,0,0,0|2,0,0]=4 1257 B14R2.6400 CCSc1ccc2[nH]c(=O)oc2c1 62a_100000210202_100000697996 [0,2,0,0,0,0|1,1,0]=4 1258 B14R2.6400 COCc1ccc2nc(oc2c1)C 34a_100010326561_200000210301 [0,2,0,0,0,0|2,0,0]=4 1259 B14R2.6400 COCc1ccc2nc(oc2c1)C 7a_100010326561_200000210301 [0,2,0,0,0,0|2,0,0]=4 1260 B14R2.6400 Cc1cc2ccc(cc2o1)OCF 34a_100000095638_100015361967 [0,2,0,0,0,0|2,0,0]=4 1261 B14R2.6400 Cc1cc2ccc(cc2o1)OCF 7a_100000095638_100015361967 [0,2,0,0,0,0|2,0,0]=4 1262 B14R2.6400 Cc1nc2cc(ccc2s1)OCF 34a_100000031546_100015361967 [0,2,0,0,0,0|2,0,0]=4 1263 B14R2.6400 Cc1nc2cc(ccc2s1)OCF 7a_100000031546_100015361967 [0,2,0,0,0,0|2,0,0]=4 1264 B14R2.6400 Cc1nc2ccc(cc2o1)CO[13CH3] 34a_100010326561_200025704644 [0,2,0,0,0,0|2,0,0]=4 1265 B14R2.6400 Cc1nc2ccc(cc2o1)CO[13CH3] 7a_100010326561_200025704644 [0,2,0,0,0,0|2,0,0]=4 1266 B14R2.6400 Cc1nc2ccc(cc2o1)OCF 34a_100000116946_100015361967 [0,2,0,0,0,0|2,0,0]=4 1267 B14R2.6400 Cc1nc2ccc(cc2o1)OCF 7a_100000116946_100015361967 [0,2,0,0,0,0|2,0,0]=4 1268 B14R2.6400 Nc1nc2cc(ccc2s1)OCF 7a_100000066538_100015361967 [0,2,0,0,0,0|2,0,0]=4 1269 B14R2.6400 O=C1Cc2cc(ccc2O1)OCF 34a_100000035078_100015361967 [0,2,0,0,0,0|1,1,0]=4 1270 B14R2.6400 O=C1Cc2cc(ccc2O1)OCF 7a_100000035078_100015361967 [0,2,0,0,0,0|1,1,0]=4 1271 B14R2.6400 O=c1[nH]c2ccc(cc2o1)OCF 7a_200000068749_100015361967 [0,2,0,0,0,0|1,0,0]=3 1272 B14R2.6400 O=c1[nH]c2ccc(cc2o1)SCF 62a_100015361967_100000697996 [0,2,0,0,0,0|1,1,0]=4 1273 B14R2.645 O=C1Nc2cc(c(cc2C1=O)O)F 271570a_203496583355_100000738794 [0,2,0,0,0,0|2,0,0]=4 1274 B14R2.8716 CN1C(=O)C(=O)c2c1cc(cc2)O 271570a_203496583355_100011232274 [0,2,0,0,0,0|2,0,0]=4 1275 B14R2.8716 CN1C(=O)C(=O)c2c1ccc(c2)O 271570a_203496583355_100000187606 [0,2,0,0,0,0|2,0,0]=4 1276 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)O 271570a_203496583355_100000738869 [0,2,0,0,0,0|2,0,0]=4 1277 B14R2.9184 O=C1Nc2c(cc(cc2C1=O)O)F 271570a_203496583355_200000754225 [0,2,0,0,0,0|2,0,0]=4 1278 B14R2.19008 CCC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_200009816826 [0,2,0,0,0,0|2,0,0]=4 1279 B14R2.8737 O=C1Nc2c(ccc(c2F)O)C1=O 271570a_203496583355_100011000547 [0,2,0,0,0,0|2,0,0]=4 1280 B14R2.4646 CC1(C(=O)Nc2c1ccc(c2)O)C 271570a_203496583355_100000686694 [0,2,0,0,0,0|2,0,0]=4 1281 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [0,0,1,1,0,0|1,0,1]=4 1282 B12R2.221 Oc1ccc(c2c1cco2)F 271570a_203496583355_100010248603 [0,0,1,1,0,0|2,0,0]=4 1283 B12R2.221 Oc1ccc(c2c1cco2)O 271570a_203496583355_200020711608 [0,0,1,1,0,0|1,1,0]=4 1284 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [0,0,1,0,1,0|2,0,0]=4 1285 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [0,0,1,0,1,0|2,0,0]=4 1286 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,0,1,0,1,0|2,0,0]=4 1287 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,0,1,0,1,0|2,0,0]=4 1288 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,0,1,0,1,0|2,0,0]=4 1289 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,0,1,0,1,0|2,0,0]=4 1290 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,0,1,0,1,0|2,0,0]=4 1291 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,0,1,0,1,0|1,0,0]=3 1292 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,0,1,0,1,0|1,0,0]=3 1293 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,0,1,0,1,0|2,0,0]=4 1294 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,0,1,0,1,0|2,0,0]=4 1295 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [0,0,1,0,1,0|1,0,1]=4 1296 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [0,0,1,0,1,0|2,0,0]=4 1297 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,0,1,0,1,0|2,0,0]=4 1298 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,0,1,0,1,0|1,0,0]=3 1299 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,0,1,0,1,0|2,0,0]=4 1300 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,0,1,0,1,0|2,0,0]=4 1301 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [0,0,1,0,1,0|1,0,1]=4 1302 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,0,1,0,1,0|2,0,0]=4 1303 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,0,1,0,1,0|2,0,0]=4 1304 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,0,1,0,1,0|2,0,0]=4 1305 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,0,1,0,1,0|2,0,0]=4 1306 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,0,1,0,1,0|1,0,0]=3 1307 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,0,1,0,1,0|2,0,0]=4 1308 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,0,1,0,1,0|2,0,0]=4 1309 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,0,1,0,1,0|2,0,0]=4 1310 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,0,1,0,1,0|2,0,0]=4 1311 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,0,1,0,1,0|2,0,0]=4 1312 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,0,1,0,1,0|2,0,0]=4 1313 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,0,1,0,1,0|2,0,0]=4 1314 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,0,1,0,1,0|2,0,0]=4 1315 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,0,1,0,1,0|1,0,0]=3 1316 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,0,1,0,1,0|1,0,0]=3 1317 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,0,1,0,1,0|2,0,0]=4 1318 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,0,1,0,1,0|2,0,0]=4 1319 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,0,1,0,1,0|2,0,0]=4 1320 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [0,0,1,0,1,0|2,0,0]=4 1321 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,0,1,0,1,0|2,0,0]=4 1322 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,0,1,0,1,0|2,0,0]=4 1323 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,0,1,0,1,0|1,0,0]=3 1324 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,0,1,0,1,0|2,0,0]=4 1325 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,0,1,0,1,0|2,0,0]=4 1326 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,0,1,0,1,0|2,0,0]=4 1327 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,0,1,0,1,0|2,0,0]=4 1328 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,0,1,0,1,0|2,0,0]=4 1329 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,0,1,0,1,0|2,0,0]=4 1330 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,0,1,0,1,0|2,0,0]=4 1331 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,0,1,0,1,0|1,0,0]=3 1332 B10R2.31 Oc1ccc2c(c1)CC2 271570a_203496583355_100009818592 [1,0,0,0,1,0|1,0,1]=4 1333 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [0,0,1,0,0,1|2,0,0]=4 1334 B12R1.21 C=C(F)CSc1ccc(cc1)O 62a_100000042424_100000185759 [0,0,1,0,0,1|2,0,0]=4 1335 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,0,1,0,0,1|2,0,0]=4 1336 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,0,1,0,0,1|2,0,0]=4 1337 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,0,1,0,0,1|2,0,0]=4 1338 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,0,1,0,0,1|2,0,0]=4 1339 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,0,1,0,0,1|1,1,0]=4 1340 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,0,1,0,0,1|2,0,0]=4 1341 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,0,1,0,0,1|2,0,0]=4 1342 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,0,1,0,0,1|2,0,0]=4 1343 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,0,1,0,0,1|2,0,0]=4 1344 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,0,1,0,0,1|2,0,0]=4 1345 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,0,1,0,0,1|2,0,0]=4 1346 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,0,1,0,0,1|2,0,0]=4 1347 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [0,0,1,0,0,1|2,0,0]=4 1348 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [0,0,1,0,0,1|1,0,1]=4 1349 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [0,0,1,0,0,1|1,0,1]=4 1350 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,0,1,0,0,1|2,0,0]=4 1351 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,0,1,0,0,1|2,0,0]=4 1352 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,0,1,0,0,1|2,0,0]=4 1353 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,0,1,0,0,1|1,0,1]=4 1354 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,0,1,0,0,1|1,0,1]=4 1355 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,0,1,0,0,1|2,0,0]=4 1356 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,0,1,0,0,1|2,0,0]=4 1357 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,0,1,0,0,1|2,0,0]=4 1358 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,0,1,0,0,1|2,0,0]=4 1359 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,0,1,0,0,1|2,0,0]=4 1360 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,0,1,0,0,1|2,0,0]=4 1361 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,0,1,0,0,1|2,0,0]=4 1362 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,0,1,0,0,1|2,0,0]=4 1363 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,0,1,0,0,1|2,0,0]=4 1364 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,0,1,0,0,1|2,0,0]=4 1365 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,0,1,0,0,1|1,0,0]=3 1366 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,0,1,0,0,1|1,0,0]=3 1367 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747473 [0,0,1,0,0,1|2,0,0]=4 1368 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000747473_100000744096 [0,0,1,0,0,1|2,0,0]=4 1369 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,0,1,0,0,1|1,0,1]=4 1370 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,0,1,0,0,1|1,0,1]=4 1371 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,0,1,0,0,1|1,0,1]=4 1372 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,0,1,0,0,1|1,0,1]=4 1373 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,0,1,0,0,1|1,0,1]=4 1374 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,0,1,0,0,1|1,0,1]=4 1375 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,0,1,0,0,1|1,0,1]=4 1376 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,0,1,0,0,1|1,0,1]=4 1377 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,0,1,0,0,1|1,0,1]=4 1378 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,0,1,0,0,1|0,0,1]=3 1379 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100000685995_100020667443 [0,0,1,0,0,1|1,0,1]=4 1380 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100020667443_100000744096 [0,0,1,0,0,1|1,0,1]=4 1381 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,0,1,0,0,1|2,0,0]=4 1382 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,0,1,0,0,1|1,1,0]=4 1383 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,0,1,0,0,1|2,0,0]=4 1384 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,0,1,0,0,1|2,0,0]=4 1385 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,0,1,0,0,1|2,0,0]=4 1386 B14R2.7974 O=C1CCCc2cc(ccc2N1)O 271570a_203496583355_100000694693 [0,0,0,0,0,2|2,0,0]=4 1387 B14R2.7974 O=C1CCNc2cc(ccc2N1)O 271570a_203496583355_200012359944 [0,0,0,0,0,2|2,0,0]=4