0 B13R2.5179 Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010173736 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.5179 Cc1ccc2c(nccc2c1)O 271570a_203496583355_100000102439 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.5179 Cc1ccc2c(ncnc2c1)O 271570a_203496583355_100000099684 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.5179 Cc1cccc2c1ncc(c2)O 271570a_203496583355_100009829671 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.5179 Cc1ccnc2c1ccc(c2)O 271570a_203496583355_100010132309 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.5179 Nc1cc2cccc(c2cn1)O 271570a_203496583355_100010201637 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.5179 Nc1ccc2c(cccc2n1)O 271570a_203496583355_100000723655 [0,0,0,0,0,0|2,0,0]=2 7 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [0,0,0,0,0,0|1,0,0]=1 8 B13R2.5179 Nc1cccc2c1ncc(c2)O 271570a_203496583355_100000702407 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.5179 Nc1ccnc2c1ccc(c2)O 271570a_203496583355_200009816820 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.5179 Nc1ncc2c(cccc2n1)O 271570a_203496583355_100010209551 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.5179 Nc1nccc2c1ccc(c2)O 271570a_203496583355_100000732483 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.5179 Nc1ncnc2c1ccc(c2)O 271570a_203496583355_100010199758 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.5179 O=C1CCCc2c1ccc(c2)O 271570a_203496583355_100000688402 [0,0,0,0,0,0|0,0,4]=4 14 B13R2.5179 O=C1CCNc2c1ccc(c2)O 271570a_203496583355_100010157303 [0,0,0,0,0,0|1,0,3]=4 15 B13R2.5179 O=C1CCOc2c1ccc(c2)O 271570a_203496583355_100000696939 [0,0,0,0,0,0|1,0,3]=4 16 B13R2.5179 O=C1CCSc2c1ccc(c2)O 271570a_203496583355_100010688399 [0,0,0,0,0,0|1,0,3]=4 17 B13R2.5179 O=C1CCc2c(cccc2C1)O 271570a_203496583355_100010138409 [0,0,0,0,0,0|0,0,4]=4 18 B13R2.5179 O=C1CCc2c(cccc2N1)O 271570a_203496583355_100010232564 [0,0,0,0,0,0|1,0,3]=4 19 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [0,0,0,0,0,0|1,0,3]=4 20 B13R2.5179 O=C1COc2c(cccc2N1)O 271570a_203496583355_100012355675 [0,0,0,0,0,0|2,0,2]=4 21 B13R2.5179 O=C1NCCc2c1ccc(c2)O 271570a_203496583355_100009817313 [0,0,0,0,0,0|1,0,3]=4 22 B13R2.5179 O=c1[nH]cnc2c1ccc(c2)O 271570a_203496583355_100000230960 [0,0,0,0,0,0|2,0,1]=3 23 B13R2.5179 O=c1[nH]cnc2c1ncc(c2)O 271570a_203496583355_100000709876 [0,0,0,0,0,0|3,0,1]=4 24 B13R2.5179 O=c1[nH]ncc2c1ncc(c2)O 271570a_203496583355_100010284064 [0,0,0,0,0,0|3,0,1]=4 25 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [0,0,0,0,0,0|1,0,1]=2 26 B13R2.5179 O=c1ccoc2c1ccc(c2)O 271570a_203496583355_100010062221 [0,0,0,0,0,0|1,0,1]=2 27 B13R2.5179 Oc1cc2cccc(c2cn1)O 271570a_203496583355_100009817091 [0,0,0,0,0,0|1,0,0]=1 28 B13R2.5179 Oc1cc2ccnc(c2cn1)O 271570a_203496583355_100020669822 [0,0,0,0,0,0|2,0,0]=2 29 B13R2.5179 Oc1ccc2c(c1)OCCC2O 271570a_203496583355_100012676011 [0,0,0,0,0,0|1,0,3]=4 30 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [0,0,0,0,0,0|0,0,0]=0 31 B13R2.5179 Oc1ccc2c(ccnc2c1)Cl 271570a_203496583355_100009996786 [0,0,0,0,0,0|2,0,0]=2 32 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045489 [0,0,0,0,0,0|1,0,0]=1 33 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000756855 [0,0,0,0,0,0|1,0,0]=1 34 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100000760485 [0,0,0,0,0,0|1,0,0]=1 35 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100009867704 [0,0,0,0,0,0|1,0,0]=1 36 B13R2.5179 Oc1ccc2c(ncnc2n1)O 271570a_203496583355_100000092995 [0,0,0,0,0,0|3,0,0]=3 37 B13R2.5179 Oc1ccc2c(nncc2c1)O 271570a_203496583355_100000724280 [0,0,0,0,0,0|2,0,0]=2 38 B13R2.5179 Oc1ccnc2c1ccc(c2)Cl 271570a_203496583355_100012352046 [0,0,0,0,0,0|2,0,0]=2 39 B13R2.5179 Oc1ccnc2c1ccc(c2)F 271570a_203496583355_100000755548 [0,0,0,0,0,0|2,0,0]=2 40 B13R2.5179 Oc1ccnc2c1ncc(c2)F 271570a_203496583355_100011072215 [0,0,0,0,0,0|3,0,0]=3 41 B13R2.5179 Oc1cnc2c(cccc2c1)Br 271570a_203496583355_100010204298 [0,0,0,0,0,0|2,0,0]=2 42 B13R2.5179 Oc1cnc2c(cccc2c1)Cl 271570a_203496583355_100000759377 [0,0,0,0,0,0|2,0,0]=2 43 B13R2.5179 Oc1cnc2c(cccc2c1)F 271570a_203496583355_100000049890 [0,0,0,0,0,0|2,0,0]=2 44 B13R2.5179 Oc1cnc2c(nccc2c1)O 271570a_203496583355_100010117065 [0,0,0,0,0,0|2,0,0]=2 45 B13R2.5179 Oc1nccc2c1ccc(c2)F 271570a_203496583355_100000097391 [0,0,0,0,0,0|2,0,0]=2 46 B13R2.5179 Oc1ncnc2c1ccc(c2)F 271570a_203496583355_100000230349 [0,0,0,0,0,0|3,0,0]=3 47 B13R2.5179 [O-][n+]1ccc2c(cccc2c1)O 271570a_203496583355_200010126733 [0,0,0,0,0,0|1,0,1]=2 48 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,0,0,0|1,0,0]=2 49 B12R2.24 Oc1cc2nccnc2cn1 271570a_203496583355_100010370699 [1,0,0,0,0,0|3,0,0]=4 50 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,0,0,0|0,0,0]=1 51 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,0,0,0|1,0,0]=2 52 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [1,0,0,0,0,0|1,0,0]=2 53 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [1,0,0,0,0,0|2,0,0]=3 54 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [1,0,0,0,0,0|1,0,0]=2 55 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [1,0,0,0,0,0|2,0,0]=3 56 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [1,0,0,0,0,0|1,0,0]=2 57 B12R2.24 Oc1ccc2cncnc2c1 271570a_203496583355_100010185614 [1,0,0,0,0,0|2,0,0]=3 58 B12R2.24 Oc1ccc2cnncc2c1 271570a_203496583355_100010198781 [1,0,0,0,0,0|2,0,0]=3 59 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [1,0,0,0,0,0|1,0,0]=2 60 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [1,0,0,0,0,0|2,0,0]=3 61 B12R2.24 Oc1ccc2nccnc2c1 271570a_203496583355_100011219451 [1,0,0,0,0,0|2,0,0]=3 62 B12R2.24 Oc1ccc2nccnc2n1 271570a_203496583355_100012351543 [1,0,0,0,0,0|3,0,0]=4 63 B12R2.24 Oc1ccc2ncncc2c1 271570a_203496583355_100009989443 [1,0,0,0,0,0|2,0,0]=3 64 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [1,0,0,0,0,0|2,0,0]=3 65 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [1,0,0,0,0,0|1,0,0]=2 66 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [1,0,0,0,0,0|2,0,0]=3 67 B12R2.24 Oc1cnc2cccnc2c1 271570a_203496583355_100010246316 [1,0,0,0,0,0|2,0,0]=3 68 B12R2.24 Oc1cnc2ncccc2n1 271570a_203496583355_100000084304 [1,0,0,0,0,0|3,0,0]=4 69 B12R2.24 Oc1cnc2nccnc2c1 271570a_203496583355_100000753224 [1,0,0,0,0,0|3,0,0]=4 70 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [1,0,0,0,0,0|2,0,0]=3 71 B12R2.1081 Oc1cccc2c1CCN=C2 271570a_203496583355_100010982778 [1,0,0,0,0,0|1,0,2]=4 72 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [1,0,0,0,0,0|0,0,0]=1 73 B12R2.1081 Oc1cccc2c1cccn2 271570a_203496583355_100011290932 [1,0,0,0,0,0|1,0,0]=2 74 B12R2.1081 Oc1cccc2c1ccnc2 271570a_203496583355_100000186358 [1,0,0,0,0,0|1,0,0]=2 75 B12R2.1081 Oc1cccc2c1cncc2 271570a_203496583355_100000685578 [1,0,0,0,0,0|1,0,0]=2 76 B12R2.1081 Oc1cccc2c1cncn2 271570a_203496583355_100009814520 [1,0,0,0,0,0|2,0,0]=3 77 B12R2.1081 Oc1cccc2c1nccc2 271570a_203496583355_100011215545 [1,0,0,0,0,0|1,0,0]=2 78 B12R2.1081 Oc1cccc2c1nccn2 271570a_203496583355_100010003881 [1,0,0,0,0,0|2,0,0]=3 79 B12R2.1081 Oc1cccc2c1ncnc2 271570a_203496583355_100010246313 [1,0,0,0,0,0|2,0,0]=3 80 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [1,0,0,0,0,0|1,0,0]=2 81 B12R2.1081 Oc1ccnc2c1cccn2 271570a_203496583355_100000087570 [1,0,0,0,0,0|2,0,0]=3 82 B12R2.1081 Oc1ccnc2c1cncc2 271570a_203496583355_100000095135 [1,0,0,0,0,0|2,0,0]=3 83 B12R2.1081 Oc1ccnc2c1nccn2 271570a_203496583355_100010783457 [1,0,0,0,0,0|3,0,0]=4 84 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [1,0,0,0,0,0|1,0,0]=2 85 B12R2.1081 Oc1cncc2c1cccn2 271570a_203496583355_100010211308 [1,0,0,0,0,0|2,0,0]=3 86 B12R2.1081 Oc1cncc2c1ccnc2 271570a_203496583355_100010134378 [1,0,0,0,0,0|2,0,0]=3 87 B12R2.1081 Oc1cncc2c1nccn2 271570a_203496583355_200010209543 [1,0,0,0,0,0|3,0,0]=4 88 B12R2.1081 Oc1cnnc2c1cccc2 271570a_203496583355_100000063506 [1,0,0,0,0,0|2,0,0]=3 89 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [1,0,0,0,0,0|1,0,0]=2 90 B12R2.1081 Oc1nccc2c1cccn2 271570a_203496583355_100000077681 [1,0,0,0,0,0|2,0,0]=3 91 B12R2.1081 Oc1nccc2c1cncc2 271570a_203496583355_100000116921 [1,0,0,0,0,0|2,0,0]=3 92 B12R2.1081 Oc1nccc2c1nccc2 271570a_203496583355_100010063729 [1,0,0,0,0,0|2,0,0]=3 93 B12R2.1081 Oc1nccc2c1nccn2 271570a_203496583355_100010063732 [1,0,0,0,0,0|3,0,0]=4 94 B12R2.1081 Oc1ncnc2c1cccc2 271570a_203496583355_100000217608 [1,0,0,0,0,0|2,0,0]=3 95 B12R2.1081 Oc1ncnc2c1cccn2 271570a_203496583355_100000026734 [1,0,0,0,0,0|3,0,0]=4 96 B12R2.1081 Oc1ncnc2c1ccnc2 271570a_203496583355_100000098430 [1,0,0,0,0,0|3,0,0]=4 97 B14R2.1073 C=Cc1cccc2c1cc[n+](c2)[O-] 271570a_100011290941_200010126733 [0,1,0,0,0,0|2,0,1]=4 98 B14R2.1073 C=Cc1cccc2c1ccc(=O)[nH]2 271570a_100011290941_100000726145 [0,1,0,0,0,0|2,0,1]=4 99 B14R2.1073 C=Cc1cccc2c1ccc(n2)C 271570a_100011290941_100010173736 [0,1,0,0,0,0|3,0,0]=4 100 B14R2.1073 C=Cc1cccc2c1ccc(n2)N 271570a_100011290941_100000723655 [0,1,0,0,0,0|3,0,0]=4 101 B14R2.1073 C=Cc1cccc2c1cnc(c2)N 271570a_100011290941_100010201637 [0,1,0,0,0,0|3,0,0]=4 102 B14R2.1073 C=Cc1cccc2c1cnc(c2)O 271570a_100011290941_100009817091 [0,1,0,0,0,0|2,0,0]=3 103 B14R2.1073 C=Cc1ccnc2c1ccc(c2)Cl 271570a_100011290941_100012352046 [0,1,0,0,0,0|3,0,0]=4 104 B14R2.1073 C=Cc1ccnc2c1ccc(c2)F 271570a_100011290941_100000755548 [0,1,0,0,0,0|3,0,0]=4 105 B14R2.1073 C=Cc1ccnc2c1ccc(c2)O 271570a_100011290941_100000045489 [0,1,0,0,0,0|2,0,0]=3 106 B14R2.1073 C=Cc1nccc2c1ccc(c2)C 271570a_100011290941_100000102439 [0,1,0,0,0,0|3,0,0]=4 107 B14R2.1073 C=Cc1nccc2c1ccc(c2)F 271570a_100011290941_100000097391 [0,1,0,0,0,0|3,0,0]=4 108 B14R2.1073 C=Cc1nccc2c1ccc(c2)O 271570a_100011290941_100009867704 [0,1,0,0,0,0|2,0,0]=3 109 B14R2.1073 CNc1cccc2c1ccc(c2)Br 34a_100010090037_200000210301 [0,1,0,0,0,0|2,0,0]=3 110 B14R2.1073 CNc1cccc2c1ccc(c2)O 34a_100000034668_200000210301 [0,1,0,0,0,0|1,0,0]=2 111 B14R2.1073 CNc1cccc2c1ccc(n2)C 27a_100102657272_100010173736 [0,1,0,0,0,0|3,0,0]=4 112 B14R2.1073 CNc1cccc2c1ccc(n2)C 34a_106741707140_200000210301 [0,1,0,0,0,0|3,0,0]=4 113 B14R2.1073 CNc1cccc2c1ncc(c2)Br 34a_100000702407_200000210301 [0,1,0,0,0,0|3,0,0]=4 114 B14R2.1073 CNc1ccnc2c1ccc(c2)Cl 27a_100102657272_100012352046 [0,1,0,0,0,0|3,0,0]=4 115 B14R2.1073 CNc1ccnc2c1ccc(c2)F 27a_100102657272_100000755548 [0,1,0,0,0,0|3,0,0]=4 116 B14R2.1073 CNc1ccnc2c1ccc(c2)O 27a_100102657272_100000045489 [0,1,0,0,0,0|2,0,0]=3 117 B14R2.1073 CNc1nccc2c1ccc(c2)C 27a_100102657272_100000102439 [0,1,0,0,0,0|3,0,0]=4 118 B14R2.1073 CNc1nccc2c1ccc(c2)F 27a_100102657272_100000097391 [0,1,0,0,0,0|3,0,0]=4 119 B14R2.1073 COc1cccc2c1ccc(c2)Br 34a_100010202202_200000210301 [0,1,0,0,0,0|1,0,0]=2 120 B14R2.1073 COc1cccc2c1ccc(c2)Br 7a_100010202202_200000210301 [0,1,0,0,0,0|1,0,0]=2 121 B14R2.1073 COc1cccc2c1ccc(c2)F 34a_100009846233_200000210301 [0,1,0,0,0,0|1,0,0]=2 122 B14R2.1073 COc1cccc2c1ccc(c2)F 7a_100009846233_200000210301 [0,1,0,0,0,0|1,0,0]=2 123 B14R2.1073 COc1cccc2c1ccc(c2)N 34a_100000035793_200000210301 [0,1,0,0,0,0|1,0,0]=2 124 B14R2.1073 COc1cccc2c1ccc(n2)O 271570a_203496583355_100010382897 [0,1,0,0,0,0|1,0,0]=2 125 B14R2.1073 COc1cccc2c1ncc(c2)C 34a_100000144662_200000210301 [0,1,0,0,0,0|2,0,0]=3 126 B14R2.1073 COc1cccc2c1ncc(c2)C 7a_100000144662_200000210301 [0,1,0,0,0,0|2,0,0]=3 127 B14R2.1073 COc1cccc2c1ncc(c2)Cl 34a_100009858588_200000210301 [0,1,0,0,0,0|2,0,0]=3 128 B14R2.1073 COc1cccc2c1ncc(c2)Cl 7a_100009858588_200000210301 [0,1,0,0,0,0|2,0,0]=3 129 B14R2.1073 COc1cccc2c1ncc(n2)O 271570a_203496583355_100010890105 [0,1,0,0,0,0|2,0,0]=3 130 B14R2.1073 COc1ccnc2c1ccc(c2)Cl 34a_100011215206_200000210301 [0,1,0,0,0,0|2,0,0]=3 131 B14R2.1073 COc1ccnc2c1ccc(c2)F 34a_100000004115_200000210301 [0,1,0,0,0,0|2,0,0]=3 132 B14R2.1073 COc1ccnc2c1ccc(c2)O 271570a_203496583355_100010204255 [0,1,0,0,0,0|1,0,0]=2 133 B14R2.1073 COc1nccc2c1ccc(c2)Br 34a_100000760485_200000210301 [0,1,0,0,0,0|2,0,0]=3 134 B14R2.1073 COc1nccc2c1ncc(c2)Br 34a_100010117065_200000210301 [0,1,0,0,0,0|3,0,0]=4 135 B14R2.1073 COc1ncnc2c1ccc(c2)O 271570a_203496583355_100134615805 [0,1,0,0,0,0|2,0,0]=3 136 B14R2.1073 CSc1cccc2c1cc[n+](c2)[O-] 62a_200000210301_200010126733 [0,1,0,0,0,0|1,1,1]=4 137 B14R2.1073 CSc1cccc2c1ccc(=O)[nH]2 62a_200000210301_100000726145 [0,1,0,0,0,0|1,1,1]=4 138 B14R2.1073 CSc1cccc2c1ccc(n2)C 62a_100010173736_200000210301 [0,1,0,0,0,0|2,1,0]=4 139 B14R2.1073 CSc1cccc2c1ccc(n2)C 62a_200000210301_100010173736 [0,1,0,0,0,0|2,1,0]=4 140 B14R2.1073 CSc1cccc2c1ccc(n2)N 62a_100000723655_200000210301 [0,1,0,0,0,0|2,1,0]=4 141 B14R2.1073 CSc1cccc2c1cnc(c2)N 62a_100010201637_200000210301 [0,1,0,0,0,0|2,1,0]=4 142 B14R2.1073 CSc1cccc2c1cnc(c2)N 62a_200000210301_100010201637 [0,1,0,0,0,0|2,1,0]=4 143 B14R2.1073 CSc1cccc2c1cnc(c2)O 62a_200000210301_100009817091 [0,1,0,0,0,0|1,1,0]=3 144 B14R2.1073 CSc1ccnc2c1ccc(c2)Cl 62a_100012352046_200000210301 [0,1,0,0,0,0|2,1,0]=4 145 B14R2.1073 CSc1ccnc2c1ccc(c2)Cl 62a_200000210301_100012352046 [0,1,0,0,0,0|2,1,0]=4 146 B14R2.1073 CSc1ccnc2c1ccc(c2)F 62a_100000755548_200000210301 [0,1,0,0,0,0|2,1,0]=4 147 B14R2.1073 CSc1ccnc2c1ccc(c2)F 62a_200000210301_100000755548 [0,1,0,0,0,0|2,1,0]=4 148 B14R2.1073 CSc1ccnc2c1ccc(c2)O 62a_200000210301_100000045489 [0,1,0,0,0,0|1,1,0]=3 149 B14R2.1073 CSc1nccc2c1ccc(c2)C 62a_200000210301_100000102439 [0,1,0,0,0,0|2,1,0]=4 150 B14R2.1073 CSc1nccc2c1ccc(c2)F 62a_200000210301_100000097391 [0,1,0,0,0,0|2,1,0]=4 151 B14R2.1073 CSc1nccc2c1ccc(c2)O 62a_200000210301_100009867704 [0,1,0,0,0,0|1,1,0]=3 152 B14R2.1073 Cc1ccc2c(cccc2n1)N[13CH3] 34a_106741707140_200025704644 [0,1,0,0,0,0|3,0,0]=4 153 B14R2.1073 Cc1ccc2c(cccc2n1)S[13CH3] 62a_100010173736_200025704644 [0,1,0,0,0,0|2,1,0]=4 154 B14R2.1073 Cc1ccc2c(cccc2n1)S[13CH3] 62a_200025704644_100010173736 [0,1,0,0,0,0|2,1,0]=4 155 B14R2.1073 Cc1ccc2c(nccc2c1)S[13CH3] 62a_200025704644_100000102439 [0,1,0,0,0,0|2,1,0]=4 156 B14R2.1073 Cc1cnc2c(cccc2c1)O[13CH3] 34a_100000144662_200025704644 [0,1,0,0,0,0|2,0,0]=3 157 B14R2.1073 Cc1cnc2c(cccc2c1)O[13CH3] 7a_100000144662_200025704644 [0,1,0,0,0,0|2,0,0]=3 158 B14R2.1073 [13CH3]Nc1cccc2c1ccc(c2)Br 34a_100010090037_200025704644 [0,1,0,0,0,0|2,0,0]=3 159 B14R2.1073 [13CH3]Nc1cccc2c1ccc(c2)O 34a_100000034668_200025704644 [0,1,0,0,0,0|1,0,0]=2 160 B14R2.1073 [13CH3]Nc1cccc2c1ncc(c2)Br 34a_100000702407_200025704644 [0,1,0,0,0,0|3,0,0]=4 161 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)Br 34a_100010202202_200025704644 [0,1,0,0,0,0|1,0,0]=2 162 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)Br 7a_100010202202_200025704644 [0,1,0,0,0,0|1,0,0]=2 163 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)F 34a_100009846233_200025704644 [0,1,0,0,0,0|1,0,0]=2 164 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)F 7a_100009846233_200025704644 [0,1,0,0,0,0|1,0,0]=2 165 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)N 34a_100000035793_200025704644 [0,1,0,0,0,0|1,0,0]=2 166 B14R2.1073 [13CH3]Oc1cccc2c1ncc(c2)Cl 34a_100009858588_200025704644 [0,1,0,0,0,0|2,0,0]=3 167 B14R2.1073 [13CH3]Oc1cccc2c1ncc(c2)Cl 7a_100009858588_200025704644 [0,1,0,0,0,0|2,0,0]=3 168 B14R2.1073 [13CH3]Oc1ccnc2c1ccc(c2)Cl 34a_100011215206_200025704644 [0,1,0,0,0,0|2,0,0]=3 169 B14R2.1073 [13CH3]Oc1ccnc2c1ccc(c2)F 34a_100000004115_200025704644 [0,1,0,0,0,0|2,0,0]=3 170 B14R2.1073 [13CH3]Oc1nccc2c1ccc(c2)Br 34a_100000760485_200025704644 [0,1,0,0,0,0|2,0,0]=3 171 B14R2.1073 [13CH3]Oc1nccc2c1ncc(c2)Br 34a_100010117065_200025704644 [0,1,0,0,0,0|3,0,0]=4 172 B14R2.1073 [13CH3]Sc1cccc2c1cc[n+](c2)[O-] 62a_200025704644_200010126733 [0,1,0,0,0,0|1,1,1]=4 173 B14R2.1073 [13CH3]Sc1cccc2c1ccc(=O)[nH]2 62a_200025704644_100000726145 [0,1,0,0,0,0|1,1,1]=4 174 B14R2.1073 [13CH3]Sc1cccc2c1ccc(n2)N 62a_100000723655_200025704644 [0,1,0,0,0,0|2,1,0]=4 175 B14R2.1073 [13CH3]Sc1cccc2c1cnc(c2)N 62a_100010201637_200025704644 [0,1,0,0,0,0|2,1,0]=4 176 B14R2.1073 [13CH3]Sc1cccc2c1cnc(c2)N 62a_200025704644_100010201637 [0,1,0,0,0,0|2,1,0]=4 177 B14R2.1073 [13CH3]Sc1cccc2c1cnc(c2)O 62a_200025704644_100009817091 [0,1,0,0,0,0|1,1,0]=3 178 B14R2.1073 [13CH3]Sc1ccnc2c1ccc(c2)Cl 62a_100012352046_200025704644 [0,1,0,0,0,0|2,1,0]=4 179 B14R2.1073 [13CH3]Sc1ccnc2c1ccc(c2)Cl 62a_200025704644_100012352046 [0,1,0,0,0,0|2,1,0]=4 180 B14R2.1073 [13CH3]Sc1ccnc2c1ccc(c2)F 62a_100000755548_200025704644 [0,1,0,0,0,0|2,1,0]=4 181 B14R2.1073 [13CH3]Sc1ccnc2c1ccc(c2)F 62a_200025704644_100000755548 [0,1,0,0,0,0|2,1,0]=4 182 B14R2.1073 [13CH3]Sc1ccnc2c1ccc(c2)O 62a_200025704644_100000045489 [0,1,0,0,0,0|1,1,0]=3 183 B14R2.1073 [13CH3]Sc1nccc2c1ccc(c2)F 62a_200025704644_100000097391 [0,1,0,0,0,0|2,1,0]=4 184 B14R2.1073 [13CH3]Sc1nccc2c1ccc(c2)O 62a_200025704644_100009867704 [0,1,0,0,0,0|1,1,0]=3 185 B14R2.1801 C=Cc1cc2ccnc(c2cn1)O 271570a_100011290941_100020669822 [0,1,0,0,0,0|3,0,0]=4 186 B14R2.1801 C=Cc1ccc2c(=O)ccoc2c1 271570a_100011290941_100010062221 [0,1,0,0,0,0|2,0,1]=4 187 B14R2.1801 C=Cc1ccc2c(cccc2c1)N 271570a_100011290941_100010090037 [0,1,0,0,0,0|2,0,0]=3 188 B14R2.1801 C=Cc1ccc2c(cccc2c1)O 271570a_100011290941_100010202202 [0,1,0,0,0,0|1,0,0]=2 189 B14R2.1801 C=Cc1ccc2c(ccnc2c1)C 271570a_100011290941_100010132309 [0,1,0,0,0,0|3,0,0]=4 190 B14R2.1801 C=Cc1ccc2c(ccnc2c1)Cl 271570a_100011290941_100009996786 [0,1,0,0,0,0|3,0,0]=4 191 B14R2.1801 C=Cc1ccc2c(ccnc2c1)N 271570a_100011290941_200009816820 [0,1,0,0,0,0|3,0,0]=4 192 B14R2.1801 C=Cc1ccc2c(ccnc2c1)O 271570a_100011290941_100000756855 [0,1,0,0,0,0|2,0,0]=3 193 B14R2.1801 C=Cc1ccc2c(nccc2c1)N 271570a_100011290941_100000732483 [0,1,0,0,0,0|3,0,0]=4 194 B14R2.1801 C=Cc1ccc2c(nccc2c1)O 271570a_100011290941_100000760485 [0,1,0,0,0,0|2,0,0]=3 195 B14R2.1801 C=Cc1ccc2c(nncc2c1)O 271570a_100011290941_100000724280 [0,1,0,0,0,0|3,0,0]=4 196 B14R2.1801 C=Cc1cnc2c(cccc2c1)Br 271570a_100011290941_100010204298 [0,1,0,0,0,0|3,0,0]=4 197 B14R2.1801 C=Cc1cnc2c(cccc2c1)C 271570a_100011290941_100009829671 [0,1,0,0,0,0|3,0,0]=4 198 B14R2.1801 C=Cc1cnc2c(cccc2c1)Cl 271570a_100011290941_100000759377 [0,1,0,0,0,0|3,0,0]=4 199 B14R2.1801 C=Cc1cnc2c(cccc2c1)F 271570a_100011290941_100000049890 [0,1,0,0,0,0|3,0,0]=4 200 B14R2.1801 C=Cc1cnc2c(cccc2c1)N 271570a_100011290941_100000702407 [0,1,0,0,0,0|3,0,0]=4 201 B14R2.1801 C=Cc1cnc2c(nccc2c1)O 271570a_100011290941_100010117065 [0,1,0,0,0,0|3,0,0]=4 202 B14R2.1801 CNc1cc2ccnc(c2cn1)O 27a_100102657272_100020669822 [0,1,0,0,0,0|3,0,0]=4 203 B14R2.1801 CNc1ccc2c(cccc2c1)O 34a_100000035793_200000210301 [0,1,0,0,0,0|1,0,0]=2 204 B14R2.1801 CNc1ccc2c(cccc2c1)O 7a_100000035793_200000210301 [0,1,0,0,0,0|1,0,0]=2 205 B14R2.1801 CNc1ccc2c(ccnc2c1)Cl 27a_100102657272_100009996786 [0,1,0,0,0,0|3,0,0]=4 206 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200000210301 [0,1,0,0,0,0|1,0,1]=3 207 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200000210301 [0,1,0,0,0,0|1,0,1]=3 208 B14R2.1801 COc1ccc2c(=O)ccoc2c1 34a_200000065989_200000210301 [0,1,0,0,0,0|1,0,1]=3 209 B14R2.1801 COc1ccc2c(=O)ccoc2c1 7a_200000065989_200000210301 [0,1,0,0,0,0|1,0,1]=3 210 B14R2.1801 COc1ccc2c(cccc2c1)N 34a_100000034668_200000210301 [0,1,0,0,0,0|1,0,0]=2 211 B14R2.1801 COc1ccc2c(cccc2c1)N 7a_100000034668_200000210301 [0,1,0,0,0,0|1,0,0]=2 212 B14R2.1801 COc1ccc2c(cccc2c1)O 271570a_203496583355_100010151670 [0,1,0,0,0,0|0,0,0]=1 213 B14R2.1801 COc1ccc2c(ccnc2c1)Br 34a_100010204257_200000210301 [0,1,0,0,0,0|2,0,0]=3 214 B14R2.1801 COc1ccc2c(ccnc2c1)Br 7a_100010204257_200000210301 [0,1,0,0,0,0|2,0,0]=3 215 B14R2.1801 COc1ccc2c(ccnc2c1)C 34a_200009854145_200000210301 [0,1,0,0,0,0|2,0,0]=3 216 B14R2.1801 COc1ccc2c(ccnc2c1)C 7a_200009854145_200000210301 [0,1,0,0,0,0|2,0,0]=3 217 B14R2.1801 COc1ccc2c(ccnc2c1)Cl 34a_100000045489_200000210301 [0,1,0,0,0,0|2,0,0]=3 218 B14R2.1801 COc1ccc2c(ccnc2c1)Cl 7a_100000045489_200000210301 [0,1,0,0,0,0|2,0,0]=3 219 B14R2.1801 COc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045488 [0,1,0,0,0,0|1,0,0]=2 220 B14R2.1801 COc1ccc2c(nccc2c1)Cl 34a_100009867704_200000210301 [0,1,0,0,0,0|2,0,0]=3 221 B14R2.1801 COc1ccc2c(nccc2c1)Cl 7a_100009867704_200000210301 [0,1,0,0,0,0|2,0,0]=3 222 B14R2.1801 COc1ccc2c(nccc2c1)O 271570a_203496583355_100000084302 [0,1,0,0,0,0|1,0,0]=2 223 B14R2.1801 COc1ccc2c(ncnc2c1)O 271570a_203496583355_100011248138 [0,1,0,0,0,0|2,0,0]=3 224 B14R2.1801 COc1cnc2c(cccc2c1)F 34a_100012184956_200000210301 [0,1,0,0,0,0|2,0,0]=3 225 B14R2.1801 COc1cnc2c(cccc2c1)F 7a_100012184956_200000210301 [0,1,0,0,0,0|2,0,0]=3 226 B14R2.1801 COc1cnc2c(ccnc2c1)O 271570a_203496583355_100009875103 [0,1,0,0,0,0|2,0,0]=3 227 B14R2.1801 CSc1cc2ccnc(c2cn1)O 62a_200000210301_100020669822 [0,1,0,0,0,0|2,1,0]=4 228 B14R2.1801 CSc1ccc2c(=O)ccoc2c1 62a_200000210301_100010062221 [0,1,0,0,0,0|1,1,1]=4 229 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_100010090037_200000210301 [0,1,0,0,0,0|1,1,0]=3 230 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_200000210301_100010090037 [0,1,0,0,0,0|1,1,0]=3 231 B14R2.1801 CSc1ccc2c(cccc2c1)O 62a_200000210301_100010202202 [0,1,0,0,0,0|0,1,0]=2 232 B14R2.1801 CSc1ccc2c(ccnc2c1)C 62a_100010132309_200000210301 [0,1,0,0,0,0|2,1,0]=4 233 B14R2.1801 CSc1ccc2c(ccnc2c1)C 62a_200000210301_100010132309 [0,1,0,0,0,0|2,1,0]=4 234 B14R2.1801 CSc1ccc2c(ccnc2c1)Cl 62a_100009996786_200000210301 [0,1,0,0,0,0|2,1,0]=4 235 B14R2.1801 CSc1ccc2c(ccnc2c1)Cl 62a_200000210301_100009996786 [0,1,0,0,0,0|2,1,0]=4 236 B14R2.1801 CSc1ccc2c(ccnc2c1)N 62a_200009816820_200000210301 [0,1,0,0,0,0|2,1,0]=4 237 B14R2.1801 CSc1ccc2c(ccnc2c1)O 62a_200000210301_100000756855 [0,1,0,0,0,0|1,1,0]=3 238 B14R2.1801 CSc1ccc2c(nccc2c1)N 62a_100000732483_200000210301 [0,1,0,0,0,0|2,1,0]=4 239 B14R2.1801 CSc1ccc2c(nccc2c1)N 62a_200000210301_100000732483 [0,1,0,0,0,0|2,1,0]=4 240 B14R2.1801 CSc1ccc2c(nccc2c1)O 62a_200000210301_100000760485 [0,1,0,0,0,0|1,1,0]=3 241 B14R2.1801 CSc1ccc2c(nncc2c1)O 62a_200000210301_100000724280 [0,1,0,0,0,0|2,1,0]=4 242 B14R2.1801 CSc1cnc2c(cccc2c1)Br 62a_100010204298_200000210301 [0,1,0,0,0,0|2,1,0]=4 243 B14R2.1801 CSc1cnc2c(cccc2c1)Br 62a_200000210301_100010204298 [0,1,0,0,0,0|2,1,0]=4 244 B14R2.1801 CSc1cnc2c(cccc2c1)C 62a_200000210301_100009829671 [0,1,0,0,0,0|2,1,0]=4 245 B14R2.1801 CSc1cnc2c(cccc2c1)Cl 62a_200000210301_100000759377 [0,1,0,0,0,0|2,1,0]=4 246 B14R2.1801 CSc1cnc2c(cccc2c1)F 62a_100000049890_200000210301 [0,1,0,0,0,0|2,1,0]=4 247 B14R2.1801 CSc1cnc2c(cccc2c1)F 62a_200000210301_100000049890 [0,1,0,0,0,0|2,1,0]=4 248 B14R2.1801 CSc1cnc2c(cccc2c1)N 62a_200000210301_100000702407 [0,1,0,0,0,0|2,1,0]=4 249 B14R2.1801 CSc1cnc2c(nccc2c1)O 62a_200000210301_100010117065 [0,1,0,0,0,0|2,1,0]=4 250 B14R2.1801 Cc1cccc2c1ncc(c2)S[13CH3] 62a_200025704644_100009829671 [0,1,0,0,0,0|2,1,0]=4 251 B14R2.1801 Cc1ccnc2c1ccc(c2)O[13CH3] 34a_200009854145_200025704644 [0,1,0,0,0,0|2,0,0]=3 252 B14R2.1801 Cc1ccnc2c1ccc(c2)O[13CH3] 7a_200009854145_200025704644 [0,1,0,0,0,0|2,0,0]=3 253 B14R2.1801 Cc1ccnc2c1ccc(c2)S[13CH3] 62a_100010132309_200025704644 [0,1,0,0,0,0|2,1,0]=4 254 B14R2.1801 Cc1ccnc2c1ccc(c2)S[13CH3] 62a_200025704644_100010132309 [0,1,0,0,0,0|2,1,0]=4 255 B14R2.1801 N#Cc1ccc2c(cccc2c1)O 271570a_203496583355_100010090035 [0,1,0,0,0,0|1,0,0]=2 256 B14R2.1801 N#Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010235449 [0,1,0,0,0,0|2,0,0]=3 257 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 34a_100000035793_200025704644 [0,1,0,0,0,0|1,0,0]=2 258 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 7a_100000035793_200025704644 [0,1,0,0,0,0|1,0,0]=2 259 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200025704644 [0,1,0,0,0,0|1,0,1]=3 260 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200025704644 [0,1,0,0,0,0|1,0,1]=3 261 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 34a_200000065989_200025704644 [0,1,0,0,0,0|1,0,1]=3 262 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 7a_200000065989_200025704644 [0,1,0,0,0,0|1,0,1]=3 263 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 34a_100000034668_200025704644 [0,1,0,0,0,0|1,0,0]=2 264 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 7a_100000034668_200025704644 [0,1,0,0,0,0|1,0,0]=2 265 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Br 34a_100010204257_200025704644 [0,1,0,0,0,0|2,0,0]=3 266 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Br 7a_100010204257_200025704644 [0,1,0,0,0,0|2,0,0]=3 267 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Cl 34a_100000045489_200025704644 [0,1,0,0,0,0|2,0,0]=3 268 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Cl 7a_100000045489_200025704644 [0,1,0,0,0,0|2,0,0]=3 269 B14R2.1801 [13CH3]Oc1ccc2c(nccc2c1)Cl 34a_100009867704_200025704644 [0,1,0,0,0,0|2,0,0]=3 270 B14R2.1801 [13CH3]Oc1ccc2c(nccc2c1)Cl 7a_100009867704_200025704644 [0,1,0,0,0,0|2,0,0]=3 271 B14R2.1801 [13CH3]Oc1cnc2c(cccc2c1)F 34a_100012184956_200025704644 [0,1,0,0,0,0|2,0,0]=3 272 B14R2.1801 [13CH3]Oc1cnc2c(cccc2c1)F 7a_100012184956_200025704644 [0,1,0,0,0,0|2,0,0]=3 273 B14R2.1801 [13CH3]Sc1cc2ccnc(c2cn1)O 62a_200025704644_100020669822 [0,1,0,0,0,0|2,1,0]=4 274 B14R2.1801 [13CH3]Sc1ccc2c(=O)ccoc2c1 62a_200025704644_100010062221 [0,1,0,0,0,0|1,1,1]=4 275 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_100010090037_200025704644 [0,1,0,0,0,0|1,1,0]=3 276 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_200025704644_100010090037 [0,1,0,0,0,0|1,1,0]=3 277 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)O 62a_200025704644_100010202202 [0,1,0,0,0,0|0,1,0]=2 278 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)Cl 62a_100009996786_200025704644 [0,1,0,0,0,0|2,1,0]=4 279 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)Cl 62a_200025704644_100009996786 [0,1,0,0,0,0|2,1,0]=4 280 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)N 62a_200009816820_200025704644 [0,1,0,0,0,0|2,1,0]=4 281 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)O 62a_200025704644_100000756855 [0,1,0,0,0,0|1,1,0]=3 282 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)N 62a_100000732483_200025704644 [0,1,0,0,0,0|2,1,0]=4 283 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)N 62a_200025704644_100000732483 [0,1,0,0,0,0|2,1,0]=4 284 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)O 62a_200025704644_100000760485 [0,1,0,0,0,0|1,1,0]=3 285 B14R2.1801 [13CH3]Sc1ccc2c(nncc2c1)O 62a_200025704644_100000724280 [0,1,0,0,0,0|2,1,0]=4 286 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)Br 62a_100010204298_200025704644 [0,1,0,0,0,0|2,1,0]=4 287 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)Br 62a_200025704644_100010204298 [0,1,0,0,0,0|2,1,0]=4 288 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)Cl 62a_200025704644_100000759377 [0,1,0,0,0,0|2,1,0]=4 289 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)F 62a_100000049890_200025704644 [0,1,0,0,0,0|2,1,0]=4 290 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)F 62a_200025704644_100000049890 [0,1,0,0,0,0|2,1,0]=4 291 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)N 62a_200025704644_100000702407 [0,1,0,0,0,0|2,1,0]=4 292 B14R2.1801 [13CH3]Sc1cnc2c(nccc2c1)O 62a_200025704644_100010117065 [0,1,0,0,0,0|2,1,0]=4 293 B14R2.8038 Cc1c(ccc2c1nccc2O)F 271570a_203496583355_100011516163 [0,1,0,0,0,0|2,0,0]=3 294 B14R2.8038 Cc1ccc2c(ccnc2c1C)O 271570a_203496583355_100011310510 [0,1,0,0,0,0|2,0,0]=3 295 B14R2.8038 Cc1ccc2c(nccc2c1O)N 271570a_203496583355_100010201667 [0,1,0,0,0,0|3,0,0]=4 296 B14R2.8038 O=c1c(c[nH]c2c1cccc2F)O 271570a_203496583355_100012351745 [0,1,0,0,0,0|2,0,0]=3 297 B14R2.8038 O=c1cc[nH]c2c1ccc(c2F)O 271570a_203496583355_100022010583 [0,1,0,0,0,0|1,0,1]=3 298 B14R2.8751 Cc1ccc2c(ccc(c2n1)N)O 271570a_203496583355_100012970290 [0,1,0,0,0,0|2,0,0]=3 299 B14R2.8751 O=c1[nH]cc(c2c1ccc(c2)F)O 271570a_203496583355_100010191626 [0,1,0,0,0,0|2,0,1]=4 300 B14R2.8751 Oc1ccc2c(nnc(c2c1)O)O 271570a_203496583355_100009992796 [0,1,0,0,0,0|2,0,0]=3 301 B14R2.28472 Oc1cc2c(ncnc2cc1F)O 271570a_203496583355_100000699150 [0,1,0,0,0,0|3,0,0]=4 302 B14R2.28472 Oc1nc2c(cccc2cc1F)O 271570a_203496583355_100010140959 [0,1,0,0,0,0|2,0,0]=3 303 B14R2.28472 Oc1ncnc2c1cc(c(c2)F)F 271570a_203496583355_100000757567 [0,1,0,0,0,0|3,0,0]=4 304 B14R2.28480 Cc1nc(c2c(cccc2n1)O)O 271570a_203496583355_200010988834 [0,1,0,0,0,0|3,0,0]=4 305 B14R2.28480 Cc1nc2cccc(c2c(=O)o1)O 271570a_203496583355_200010128068 [0,1,0,0,0,0|3,0,0]=4 306 B14R2.28480 Nc1nc(c2c(cccc2n1)O)N 271570a_203496583355_200011217714 [0,1,0,0,0,0|3,0,0]=4 307 B14R2.28480 O=c1[nH]c2cccc(c2c(=O)o1)O 271570a_203496583355_100010201677 [0,1,0,0,0,0|2,0,1]=4 308 B14R2.28480 Oc1ccnc2c1c(cc(c2)F)F 271570a_203496583355_100011310466 [0,1,0,0,0,0|2,0,0]=3 309 B14R2.28480 Oc1ncnc2c1c(cc(c2)F)F 271570a_203496583355_200012349238 [0,1,0,0,0,0|3,0,0]=4 310 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)O 271570a_203496583355_100011290880 [0,1,0,0,0,0|2,0,0]=3 311 B14R2.29365 Cc1cc(c2ccc(nc2n1)O)C 271570a_203496583355_200000075399 [0,1,0,0,0,0|3,0,0]=4 312 B14R2.29365 Cc1cc(nc2c1ccc(c2)N)O 271570a_203496583355_100000103534 [0,1,0,0,0,0|3,0,0]=4 313 B14R2.29365 Cc1cc2cc(ccc2c(=O)[nH]1)O 271570a_203496583355_100010883700 [0,1,0,0,0,0|1,0,1]=3 314 B14R2.29365 Cc1ccc2c(nc(nc2c1)C)O 271570a_203496583355_200010384746 [0,1,0,0,0,0|3,0,0]=4 315 B14R2.29365 Cc1nc(c2ccc(cc2n1)F)O 271570a_203496583355_100012003523 [0,1,0,0,0,0|3,0,0]=4 316 B14R2.29365 Cc1nc2cc(ccc2c(=O)[nH]1)O 271570a_203496583355_100012357626 [0,1,0,0,0,0|2,0,1]=4 317 B14R2.29365 Nc1cc(c2ncc(cc2c1)O)F 271570a_203496583355_100010780968 [0,1,0,0,0,0|2,0,0]=3 318 B14R2.29365 Nc1nc(=O)c2ccc(cc2[nH]1)O 271570a_203496583355_100010077259 [0,1,0,0,0,0|2,0,1]=4 319 B14R2.29365 Nc1nc(c2ccc(cc2n1)O)N 271570a_203496583355_100012355061 [0,1,0,0,0,0|3,0,0]=4 320 B14R2.29365 O=c1[nH]c(=O)c2ccc(cc2[nH]1)O 271570a_203496583355_100012351534 [0,1,0,0,0,0|2,0,1]=4 321 B14R2.29365 O=c1[nH]c2cc(ccc2c(=O)o1)O 271570a_203496583355_100000723304 [0,1,0,0,0,0|2,0,1]=4 322 B14R2.29365 O=c1cc(c2ccc(cc2o1)O)O 271570a_203496583355_100010062223 [0,1,0,0,0,0|1,0,0]=2 323 B14R2.29365 Oc1cnc2c(nc(nc2c1)O)O 271570a_203496583355_100020641529 [0,1,0,0,0,0|3,0,0]=4 324 B14R2.29369 Cc1ccc2c(c(ccc2n1)F)O 271570a_203496583355_100010730238 [0,1,0,0,0,0|2,0,0]=3 325 B14R2.29369 Cc1ccc2c(c(ccc2n1)O)O 271570a_203496583355_100010269489 [0,1,0,0,0,0|2,0,0]=3 326 B14R2.29369 Cn1ccc2cc(ccc2c1=O)O 271570a_203496583355_100010246303 [0,1,0,0,0,0|1,0,1]=3 327 B14R2.29369 O=C1C=Cc2cc(ccc2C1=O)O 271570a_203496583355_100009812793 [0,1,0,0,0,0|0,0,1]=2 328 B14R2.29369 Oc1ccc2c(c(ccc2c1)O)F 271570a_203496583355_100010730138 [0,1,0,0,0,0|1,0,0]=2 329 B12R1.16 C=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210623 [0,0,1,0,0,0|1,0,2]=4 330 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [0,0,1,0,0,0|1,0,2]=4 331 B12R1.16 C=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210623 [0,0,1,0,0,0|1,0,2]=4 332 B12R1.16 C=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210623 [0,0,1,0,0,0|1,0,2]=4 333 B12R1.16 C=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210623 [0,0,1,0,0,0|1,0,2]=4 334 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [0,0,1,0,0,0|0,0,2]=3 335 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,0,1,0,0,0|0,0,2]=3 336 B12R1.16 C=CCN(C)c1ccc(cc1)O 269982a_100000182112_100000210623 [0,0,1,0,0,0|2,0,1]=4 337 B12R1.16 C=CCN(C)c1ccc(cc1)O 34a_100000182112_100015514636 [0,0,1,0,0,0|2,0,1]=4 338 B12R1.28 C/C=C/CNc1cccc(c1)O 34a_100000210217_100102629194 [0,0,1,0,0,0|2,0,1]=4 339 B12R1.28 C/C=C/CSc1cccc(c1)O 62a_100102629194_100000211634 [0,0,1,0,0,0|2,0,1]=4 340 B12R1.28 CC=CCNc1cccc(c1)O 34a_100000210217_100000070051 [0,0,1,0,0,0|2,0,1]=4 341 B12R1.28 CC=CCSc1cccc(c1)O 62a_100000070051_100000211634 [0,0,1,0,0,0|2,0,1]=4 342 B12R1.28 CCCC=Cc1cccc(c1)O 271570a_100016258520_100000211634 [0,0,1,0,0,0|1,0,2]=4 343 B12R1.28 CCOC=Cc1cccc(c1)O 271570a_100016256518_100000211634 [0,0,1,0,0,0|2,0,1]=4 344 B12R1.28 COCC=Cc1cccc(c1)O 271570a_100016286323_100000211634 [0,0,1,0,0,0|2,0,1]=4 345 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,0,1,0,0,0|1,0,2]=4 346 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,0,1,0,0,0|1,0,2]=4 347 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,0,1,0,0,0|1,0,2]=4 348 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,0,1,0,0,0|1,0,2]=4 349 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,0,1,0,0,0|1,0,2]=4 350 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,0,1,0,0,0|0,0,2]=3 351 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,0,1,0,0,0|2,0,1]=4 352 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,0,1,0,0,0|2,0,1]=4 353 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,0,1,0,0,0|2,0,1]=4 354 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,0,1,0,0,0|2,0,1]=4 355 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,0,1,0,0,0|2,0,1]=4 356 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,0,1,0,0,0|2,0,1]=4 357 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,0,1,0,0,0|2,0,1]=4 358 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,0,1,0,0,0|2,0,1]=4 359 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,0,1,0,0,0|2,0,1]=4 360 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,0,1,0,0,0|2,0,1]=4 361 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,0,1,0,0,0|1,0,1]=3 362 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,0,1,0,0,0|1,0,1]=3 363 B12R1.50 C=CC(C)Sc1cccc(c1)O 62a_100011215867_100000211634 [0,0,1,0,0,0|2,0,1]=4 364 B12R1.57 C=C(C)c1ccc(cc1C#N)O 271570a_100000694244_100009818209 [0,0,1,0,0,0|2,0,1]=4 365 B12R1.57 C=C(C)c1ccc(cc1C=O)Br 271570a_100000694244_100010185651 [0,0,1,0,0,0|3,0,0]=4 366 B12R1.57 C=C(C)c1ccc(cc1C=O)C 271570a_100000694244_100011551863 [0,0,1,0,0,0|3,0,0]=4 367 B12R1.57 C=C(C)c1ccc(cc1C=O)Cl 271570a_100000694244_100010254386 [0,0,1,0,0,0|3,0,0]=4 368 B12R1.57 C=C(C)c1ccc(cc1C=O)F 271570a_100000694244_100011218309 [0,0,1,0,0,0|3,0,0]=4 369 B12R1.57 C=C(C)c1ccc(cc1C=O)O 271570a_100000694244_100000690577 [0,0,1,0,0,0|2,0,0]=3 370 B12R1.57 C=C(C)c1ccc(cc1CO)O 271570a_100000694244_100012351483 [0,0,1,0,0,0|2,0,1]=4 371 B12R1.57 C=C(C)c1ccc(cc1OC)O 271570a_100000694244_100011827694 [0,0,1,0,0,0|2,0,1]=4 372 B12R1.57 C=Cc1cc(ccc1B(O)O)C 271570a_100011290941_200011068827 [0,0,1,0,0,0|3,0,0]=4 373 B12R1.57 C=Cc1cc(ccc1B(O)O)F 271570a_100011290941_100010175514 [0,0,1,0,0,0|3,0,0]=4 374 B12R1.57 C=Cc1cc(ccc1C(=O)C)C 271570a_100011290941_100012353930 [0,0,1,0,0,0|1,0,2]=4 375 B12R1.57 C=Cc1cc(ccc1C(=O)C)F 271570a_100011290941_100000686192 [0,0,1,0,0,0|1,0,2]=4 376 B12R1.57 C=Cc1cc(ccc1C(=O)C)O 271570a_100011290941_100012340537 [0,0,1,0,0,0|0,0,2]=3 377 B12R1.57 C=Cc1cc(ccc1C(=O)N)Br 271570a_100011290941_100009815748 [0,0,1,0,0,0|2,0,1]=4 378 B12R1.57 C=Cc1cc(ccc1C(=O)N)F 271570a_100011290941_100000206404 [0,0,1,0,0,0|2,0,1]=4 379 B12R1.125 C=C(C)CNc1ccccc1O 34a_100000185747_100000748629 [0,0,1,0,0,0|2,0,1]=4 380 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000739446_100000211660 [0,0,1,0,0,0|2,0,1]=4 381 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000748629_100000739446 [0,0,1,0,0,0|2,0,1]=4 382 B12R1.125 C=C(F)CNc1ccccc1O 34a_100000185747_100009893438 [0,0,1,0,0,0|2,0,1]=4 383 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000042424_100000739446 [0,0,1,0,0,0|2,0,1]=4 384 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000739446_100000042424 [0,0,1,0,0,0|2,0,1]=4 385 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,0,1,0,0,0|1,0,2]=4 386 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,0,1,0,0,0|1,0,2]=4 387 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,0,1,0,0,0|1,0,2]=4 388 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,0,1,0,0,0|0,0,2]=3 389 B12R1.125 CC(C)C=Cc1ccccc1O 271570a_100016257149_100000739446 [0,0,1,0,0,0|1,0,2]=4 390 B12R1.125 CC(O)C=Cc1ccccc1Br 271570a_200011019289_100000695589 [0,0,1,0,0,0|1,0,2]=4 391 B12R1.125 CC(O)C=Cc1ccccc1Cl 271570a_200011019289_100000764095 [0,0,1,0,0,0|1,0,2]=4 392 B12R1.125 CC(O)C=Cc1ccccc1F 271570a_200011019289_100011215700 [0,0,1,0,0,0|1,0,2]=4 393 B12R1.125 CC(O)C=Cc1ccccc1N 271570a_200011019289_100000210017 [0,0,1,0,0,0|1,0,2]=4 394 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [0,0,1,0,0,0|0,0,2]=3 395 B12R1.125 CC(O)C=Cc1ccncc1O 271570a_200011019289_100009817591 [0,0,1,0,0,0|1,0,2]=4 396 B12R1.125 CC(O)C=Cc1ncccc1O 271570a_200011019289_100000034122 [0,0,1,0,0,0|1,0,2]=4 397 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [0,0,1,0,0,0|1,0,2]=4 398 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,0,1,0,0,0|1,0,2]=4 399 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,0,1,0,0,0|1,0,2]=4 400 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,0,1,0,0,0|1,0,2]=4 401 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,0,1,0,0,0|0,0,2]=3 402 B12R1.224 CC(=Cc1cccc(c1Br)O)C 271570a_100102525489_100010187914 [0,0,1,0,0,0|2,0,1]=4 403 B12R1.224 CC(=Cc1cccc(c1C)O)C 271570a_100102525489_100012002258 [0,0,1,0,0,0|1,0,2]=4 404 B12R1.224 CC(=Cc1cccc(c1Cl)O)C 271570a_100102525489_100000049636 [0,0,1,0,0,0|2,0,1]=4 405 B12R1.224 CC(=Cc1cccc(c1F)O)C 271570a_100102525489_100009817021 [0,0,1,0,0,0|2,0,1]=4 406 B12R1.224 CC(=Cc1cccc(c1N)O)C 271570a_100102525489_100011934926 [0,0,1,0,0,0|2,0,1]=4 407 B12R1.224 CC(=Cc1cccc(c1O)O)C 271570a_100102525489_100009815950 [0,0,1,0,0,0|2,0,1]=4 408 B12R1.268 C=C=Cc1cc(ccc1C#N)O 271570a_100015277604_100012184851 [0,0,1,0,0,0|1,0,2]=4 409 B12R1.268 C=C=Cc1cc(ccc1C=O)Br 271570a_100015277604_100010146562 [0,0,1,0,0,0|1,0,2]=4 410 B12R1.268 C=C=Cc1cc(ccc1C=O)C 271570a_100015277604_100000692596 [0,0,1,0,0,0|1,0,2]=4 411 B12R1.268 C=C=Cc1cc(ccc1C=O)F 271570a_100015277604_100000752949 [0,0,1,0,0,0|1,0,2]=4 412 B12R1.268 C=C=Cc1cc(ccc1C=O)O 271570a_100015277604_100011236494 [0,0,1,0,0,0|0,0,2]=3 413 B12R1.268 C=C=Cc1cc(ccc1CO)Br 271570a_100015277604_100010146605 [0,0,1,0,0,0|1,0,2]=4 414 B12R1.268 C=C=Cc1cc(ccc1CO)Cl 271570a_100015277604_100000722340 [0,0,1,0,0,0|1,0,2]=4 415 B12R1.268 C=C=Cc1cc(ccc1CO)F 271570a_100015277604_100000744086 [0,0,1,0,0,0|1,0,2]=4 416 B12R1.268 C=C=Cc1cc(ccc1CO)O 271570a_100015277604_100010146404 [0,0,1,0,0,0|0,0,2]=3 417 B12R1.268 C=C=Cc1cc(ccc1OC)O 271570a_100015277604_100010084122 [0,0,1,0,0,0|2,0,1]=4 418 B12R1.268 CC=Cc1cc(ccc1C#N)O 271570a_100016259895_100012184851 [0,0,1,0,0,0|1,0,2]=4 419 B12R1.268 CC=Cc1cc(ccc1C=O)Br 271570a_100016259895_100010146562 [0,0,1,0,0,0|1,0,2]=4 420 B12R1.268 CC=Cc1cc(ccc1C=O)C 271570a_100016259895_100000692596 [0,0,1,0,0,0|1,0,2]=4 421 B12R1.268 CC=Cc1cc(ccc1C=O)F 271570a_100016259895_100000752949 [0,0,1,0,0,0|1,0,2]=4 422 B12R1.268 CC=Cc1cc(ccc1C=O)O 271570a_100016259895_100011236494 [0,0,1,0,0,0|0,0,2]=3 423 B12R1.268 CC=Cc1cc(ccc1CO)Br 271570a_100016259895_100010146605 [0,0,1,0,0,0|1,0,2]=4 424 B12R1.268 CC=Cc1cc(ccc1CO)Cl 271570a_100016259895_100000722340 [0,0,1,0,0,0|1,0,2]=4 425 B12R1.268 CC=Cc1cc(ccc1CO)F 271570a_100016259895_100000744086 [0,0,1,0,0,0|1,0,2]=4 426 B12R1.268 CC=Cc1cc(ccc1CO)O 271570a_100016259895_100010146404 [0,0,1,0,0,0|0,0,2]=3 427 B12R1.268 CC=Cc1cc(ccc1OC)O 271570a_100016259895_100010084122 [0,0,1,0,0,0|2,0,1]=4 428 B12R1.542 C=C=Cc1cccc(c1C=O)O 271570a_100015277604_100009814793 [0,0,1,0,0,0|2,0,1]=4 429 B12R1.542 CC=Cc1cccc(c1C#N)O 271570a_100016259895_100012180507 [0,0,1,0,0,0|2,0,1]=4 430 B12R1.542 CC=Cc1cccc(c1C=O)C 271570a_100016259895_100000041122 [0,0,1,0,0,0|3,0,0]=4 431 B12R1.542 CC=Cc1cccc(c1C=O)Cl 271570a_100016259895_100010147682 [0,0,1,0,0,0|3,0,0]=4 432 B12R1.542 CC=Cc1cccc(c1C=O)F 271570a_100016259895_100000210083 [0,0,1,0,0,0|3,0,0]=4 433 B12R1.542 CC=Cc1cccc(c1C=O)N 271570a_100016259895_100010232536 [0,0,1,0,0,0|3,0,0]=4 434 B12R1.542 CC=Cc1cccc(c1C=O)O 271570a_100016259895_100009814793 [0,0,1,0,0,0|2,0,0]=3 435 B12R1.542 CC=Cc1cccc(c1OC)O 271570a_100016259895_100010234590 [0,0,1,0,0,0|2,0,1]=4 436 B12R1.542 CC=Cc1nccc(c1C=O)O 271570a_100016259895_200010729673 [0,0,1,0,0,0|3,0,0]=4 437 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [0,0,0,0,1,0|2,0,0]=3 438 B12R2.196 Cc1cccc2c1[nH]nc2O 271570a_203496583355_100010186057 [0,0,0,0,1,0|3,0,0]=4 439 B12R2.196 Cc1cccn2c1ncc2O 271570a_203496583355_100012351083 [0,0,0,0,1,0|3,0,0]=4 440 B12R2.196 Cc1n[nH]c2c1cccc2O 271570a_203496583355_100010255084 [0,0,0,0,1,0|3,0,0]=4 441 B12R2.196 Cn1ccc2c1cccc2O 271570a_203496583355_200011934935 [0,0,0,0,1,0|2,0,0]=3 442 B12R2.196 Cn1ccc2c1ccnc2O 271570a_203496583355_100000048735 [0,0,0,0,1,0|3,0,0]=4 443 B12R2.196 Cn1ccc2c1nccc2O 271570a_203496583355_100010168893 [0,0,0,0,1,0|3,0,0]=4 444 B12R2.196 Cn1cnc2c1cccc2O 271570a_203496583355_100000696766 [0,0,0,0,1,0|3,0,0]=4 445 B12R2.196 Cn1ncc2c1cccc2O 271570a_203496583355_100009817161 [0,0,0,0,1,0|3,0,0]=4 446 B12R2.196 Nc1cccc2c1[nH]nc2O 271570a_203496583355_100009888981 [0,0,0,0,1,0|3,0,0]=4 447 B12R2.196 Nc1n[nH]c2c1cccc2O 271570a_203496583355_100010069757 [0,0,0,0,1,0|3,0,0]=4 448 B12R2.196 Nc1noc2c1cccc2O 271570a_203496583355_100010069758 [0,0,0,0,1,0|3,0,0]=4 449 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,0,0,0,1,0|0,0,3]=4 450 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,0,0,0,1,0|1,0,2]=4 451 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [0,0,0,0,1,0|1,0,2]=4 452 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [0,0,0,0,1,0|1,0,2]=4 453 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [0,0,0,0,1,0|2,0,1]=4 454 B12R2.196 Oc1cccc2c1CC[C@@H]2O 271570a_203496583355_100010080924 [0,0,0,0,1,0|0,0,3]=4 455 B12R2.196 Oc1cccn2c1ncc2O 271570a_203496583355_200020799507 [0,0,0,0,1,0|2,0,0]=3 456 B12R2.196 Oc1cnc2n1cccc2Br 271570a_203496583355_100013004016 [0,0,0,0,1,0|3,0,0]=4 457 B12R2.196 Oc1cnc2n1cccc2Cl 271570a_203496583355_100010025871 [0,0,0,0,1,0|3,0,0]=4 458 B12R2.196 Oc1cnc2n1cccc2F 271570a_203496583355_100009817165 [0,0,0,0,1,0|3,0,0]=4 459 B12R2.196 Oc1csc2c1ncnc2O 271570a_203496583355_100010075196 [0,0,0,0,1,0|3,0,0]=4 460 B12R2.196 Oc1n[nH]c2c1cccc2Br 271570a_203496583355_100010197283 [0,0,0,0,1,0|3,0,0]=4 461 B12R2.196 Oc1n[nH]c2c1cccc2Cl 271570a_203496583355_100000050086 [0,0,0,0,1,0|3,0,0]=4 462 B12R2.196 Oc1n[nH]c2c1cccc2F 271570a_203496583355_100010231504 [0,0,0,0,1,0|3,0,0]=4 463 B12R2.196 Oc1n[nH]c2c1cccc2O 271570a_203496583355_200010988877 [0,0,0,0,1,0|2,0,0]=3 464 B12R2.202 CC1=Cc2cccc(c2C1)O 271570a_203496583355_100010271545 [0,0,0,0,1,0|1,0,1]=3 465 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [0,0,0,0,1,0|2,0,0]=3 466 B12R2.202 Cc1cc2c(ccnc2[nH]1)O 271570a_203496583355_100010202352 [0,0,0,0,1,0|3,0,0]=4 467 B12R2.202 Cc1cccc2c1nc(s2)O 271570a_203496583355_100010008827 [0,0,0,0,1,0|3,0,0]=4 468 B12R2.202 Cc1cn2c(cccc2n1)O 271570a_203496583355_100009817088 [0,0,0,0,1,0|3,0,0]=4 469 B12R2.202 Cc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012360556 [0,0,0,0,1,0|3,0,0]=4 470 B12R2.202 Cc1nc2c(cccc2o1)O 271570a_203496583355_100010883239 [0,0,0,0,1,0|3,0,0]=4 471 B12R2.202 Cc1nc2c(cccc2s1)O 271570a_203496583355_100010236672 [0,0,0,0,1,0|3,0,0]=4 472 B12R2.202 Cc1nc2cccc(c2o1)O 271570a_203496583355_100010168998 [0,0,0,0,1,0|3,0,0]=4 473 B12R2.202 Cc1nc2cccc(c2s1)O 271570a_203496583355_100010236699 [0,0,0,0,1,0|3,0,0]=4 474 B12R2.202 Cn1cc2c(cccc2n1)O 271570a_203496583355_100009817162 [0,0,0,0,1,0|3,0,0]=4 475 B12R2.202 Cn1cc2cccc(c2n1)O 271570a_203496583355_100009817170 [0,0,0,0,1,0|3,0,0]=4 476 B12R2.202 Nc1cc2cccc(c2s1)O 271570a_203496583355_100010090802 [0,0,0,0,1,0|2,0,0]=3 477 B12R2.202 Nc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012356985 [0,0,0,0,1,0|3,0,0]=4 478 B12R2.202 Nc1nc2c(cccc2s1)O 271570a_203496583355_100000724365 [0,0,0,0,1,0|3,0,0]=4 479 B12R2.202 Nc1nc2cccc(c2o1)O 271570a_203496583355_100012347120 [0,0,0,0,1,0|3,0,0]=4 480 B12R2.202 Nc1nc2cccc(c2s1)O 271570a_203496583355_100010235960 [0,0,0,0,1,0|3,0,0]=4 481 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [0,0,0,0,1,0|1,0,2]=4 482 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [0,0,0,0,1,0|0,0,3]=4 483 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [0,0,0,0,1,0|1,0,2]=4 484 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [0,0,0,0,1,0|2,0,1]=4 485 B12R2.202 Oc1cc2c(ccnc2[nH]1)Cl 271570a_203496583355_100010234028 [0,0,0,0,1,0|3,0,0]=4 486 B12R2.202 Oc1cc2c(nccc2s1)O 271570a_203496583355_100010116216 [0,0,0,0,1,0|2,0,0]=3 487 B12R2.202 Oc1cc2c(ncnn2c1)O 271570a_203496583355_100010073071 [0,0,0,0,1,0|3,0,0]=4 488 B12R2.202 Oc1cc2cccc(c2[nH]1)Br 271570a_203496583355_100135389745 [0,0,0,0,1,0|2,0,0]=3 489 B12R2.202 Oc1cc2nccc(c2s1)Cl 271570a_203496583355_100010192579 [0,0,0,0,1,0|3,0,0]=4 490 B12R2.202 Oc1cccc2c1CC(C2)O 271570a_203496583355_100010752598 [0,0,0,0,1,0|0,0,3]=4 491 B12R2.202 Oc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012347640 [0,0,0,0,1,0|2,0,0]=3 492 B12R2.202 Oc1nc2c(cccc2s1)F 271570a_203496583355_100010008856 [0,0,0,0,1,0|3,0,0]=4 493 B12R2.202 Oc1nc2c(cncc2[nH]1)O 271570a_203496583355_100012340553 [0,0,0,0,1,0|3,0,0]=4 494 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [0,0,0,0,1,0|2,0,0]=3 495 B12R2.612 Cc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100000049534 [0,0,0,0,1,0|3,0,0]=4 496 B12R2.612 Cc1ccn2c(cnc2c1)O 271570a_203496583355_100011934683 [0,0,0,0,1,0|3,0,0]=4 497 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,0,0,0,1,0|2,0,0]=3 498 B12R2.612 Cc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100009816850 [0,0,0,0,1,0|3,0,0]=4 499 B12R2.612 Cc1ncc2n1ccc(c2)O 271570a_203496583355_100000730832 [0,0,0,0,1,0|3,0,0]=4 500 B12R2.612 Cc1noc2c1ccc(c2)O 271570a_203496583355_100009815287 [0,0,0,0,1,0|3,0,0]=4 501 B12R2.612 Cn1ccc2c1ccc(c2)O 271570a_203496583355_100011202928 [0,0,0,0,1,0|2,0,0]=3 502 B12R2.612 Cn1ccc2c1ncc(c2)O 271570a_203496583355_100010191616 [0,0,0,0,1,0|3,0,0]=4 503 B12R2.612 Cn1cnc2c1ccc(c2)O 271570a_203496583355_100000718706 [0,0,0,0,1,0|3,0,0]=4 504 B12R2.612 Cn1ncc2c1ccc(c2)O 271570a_203496583355_100009817176 [0,0,0,0,1,0|3,0,0]=4 505 B12R2.612 Nc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100009816878 [0,0,0,0,1,0|3,0,0]=4 506 B12R2.612 Nc1cnc2n1ccc(c2)O 271570a_203496583355_100010355886 [0,0,0,0,1,0|3,0,0]=4 507 B12R2.612 Nc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100011934401 [0,0,0,0,1,0|3,0,0]=4 508 B12R2.612 Nc1noc2c1ccc(c2)O 271570a_203496583355_100012356334 [0,0,0,0,1,0|3,0,0]=4 509 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,0,0,0,1,0|0,0,1]=2 510 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,0,0,0,1,0|0,0,3]=4 511 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,0,0,0,1,0|1,0,2]=4 512 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [0,0,0,0,1,0|1,0,2]=4 513 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,0,0,0,1,0|1,0,2]=4 514 B12R2.612 O=c1[nH][nH]c2c1ccc(c2)O 271570a_203496583355_100012353722 [0,0,0,0,1,0|2,0,1]=4 515 B12R2.612 Oc1ccc2c(c1)CCC2O 271570a_203496583355_100000747877 [0,0,0,0,1,0|0,0,3]=4 516 B12R2.612 Oc1ccc2c(noc2c1)O 271570a_203496583355_100000727085 [0,0,0,0,1,0|2,0,0]=3 517 B12R2.612 Oc1cnc2n1ccc(c2)Br 271570a_203496583355_100010730183 [0,0,0,0,1,0|3,0,0]=4 518 B12R2.612 Oc1cnc2n1ccc(c2)F 271570a_203496583355_100020640160 [0,0,0,0,1,0|3,0,0]=4 519 B12R2.612 Oc1n[nH]c2c1ccc(c2)Br 271570a_203496583355_100010186045 [0,0,0,0,1,0|3,0,0]=4 520 B12R2.612 Oc1n[nH]c2c1ccc(c2)Cl 271570a_203496583355_100000049627 [0,0,0,0,1,0|3,0,0]=4 521 B12R2.612 Oc1n[nH]c2c1ccc(c2)F 271570a_203496583355_100000049990 [0,0,0,0,1,0|3,0,0]=4 522 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [1,0,1,0,0,0|1,0,1]=4 523 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [1,0,1,0,0,0|1,0,1]=4 524 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [1,0,1,0,0,0|1,0,1]=4 525 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [1,0,1,0,0,0|1,0,1]=4 526 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [1,0,1,0,0,0|0,0,2]=4 527 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,0,1,0,0,0|1,0,1]=4 528 B11R1.24 C=CCNc1cccc(c1)O 34a_100000210217_100015514636 [1,0,1,0,0,0|1,0,1]=4 529 B11R1.24 C=CCSc1cccc(c1)O 62a_100000210623_100000211634 [1,0,1,0,0,0|1,0,1]=4 530 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,0,1,0,0,0|0,0,2]=4 531 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,1,0,0,0|1,0,1]=4 532 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,1,0,0,0|1,0,1]=4 533 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [1,0,1,0,0,0|1,0,1]=4 534 B11R1.37 C=Cc1cc(ccc1C#N)O 271570a_100011290941_100012184851 [1,0,1,0,0,0|1,0,1]=4 535 B11R1.37 C=Cc1cc(ccc1C=O)Br 271570a_100011290941_100010146562 [1,0,1,0,0,0|1,0,1]=4 536 B11R1.37 C=Cc1cc(ccc1C=O)C 271570a_100011290941_100000692596 [1,0,1,0,0,0|1,0,1]=4 537 B11R1.37 C=Cc1cc(ccc1C=O)F 271570a_100011290941_100000752949 [1,0,1,0,0,0|1,0,1]=4 538 B11R1.37 C=Cc1cc(ccc1C=O)O 271570a_100011290941_100011236494 [1,0,1,0,0,0|0,0,1]=3 539 B11R1.37 C=Cc1cc(ccc1CO)Br 271570a_100011290941_100010146605 [1,0,1,0,0,0|1,0,1]=4 540 B11R1.37 C=Cc1cc(ccc1CO)Cl 271570a_100011290941_100000722340 [1,0,1,0,0,0|1,0,1]=4 541 B11R1.37 C=Cc1cc(ccc1CO)F 271570a_100011290941_100000744086 [1,0,1,0,0,0|1,0,1]=4 542 B11R1.37 C=Cc1cc(ccc1CO)O 271570a_100011290941_100010146404 [1,0,1,0,0,0|0,0,1]=3 543 B11R1.37 C=Cc1cc(ccc1OC)O 271570a_100011290941_100010084122 [1,0,1,0,0,0|1,0,1]=4 544 B11R1.37 C=Cc1ccc(cc1C#N)O 271570a_100011290941_100009818209 [1,0,1,0,0,0|1,0,1]=4 545 B11R1.37 C=Cc1ccc(cc1C=O)Br 271570a_100011290941_100010185651 [1,0,1,0,0,0|2,0,0]=4 546 B11R1.37 C=Cc1ccc(cc1C=O)C 271570a_100011290941_100011551863 [1,0,1,0,0,0|2,0,0]=4 547 B11R1.37 C=Cc1ccc(cc1C=O)Cl 271570a_100011290941_100010254386 [1,0,1,0,0,0|2,0,0]=4 548 B11R1.37 C=Cc1ccc(cc1C=O)F 271570a_100011290941_100011218309 [1,0,1,0,0,0|2,0,0]=4 549 B11R1.37 C=Cc1ccc(cc1C=O)O 271570a_100011290941_100000690577 [1,0,1,0,0,0|1,0,0]=3 550 B11R1.37 C=Cc1ccc(cc1CO)O 271570a_100011290941_100012351483 [1,0,1,0,0,0|1,0,1]=4 551 B11R1.37 C=Cc1ccc(cc1OC)O 271570a_100011290941_100011827694 [1,0,1,0,0,0|1,0,1]=4 552 B11R1.37 O=Cc1ccc(cc1C=O)O 271570a_203496583355_200010077131 [1,0,1,0,0,0|1,0,1]=4 553 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [1,0,1,0,0,0|2,0,0]=4 554 B11R1.53 C=Cc1ccccc1B(O)O 271570a_100011290941_100000693059 [1,0,1,0,0,0|2,0,0]=4 555 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [1,0,1,0,0,0|0,0,2]=4 556 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [1,0,1,0,0,0|0,0,2]=4 557 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [1,0,1,0,0,0|1,0,1]=4 558 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [1,0,1,0,0,0|0,0,2]=4 559 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [1,0,1,0,0,0|0,0,2]=4 560 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [1,0,1,0,0,0|2,0,0]=4 561 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [1,0,1,0,0,0|1,0,1]=4 562 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [1,0,1,0,0,0|2,0,0]=4 563 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [1,0,1,0,0,0|2,0,0]=4 564 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [1,0,1,0,0,0|2,0,0]=4 565 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [1,0,1,0,0,0|2,0,0]=4 566 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [1,0,1,0,0,0|1,0,1]=4 567 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [1,0,1,0,0,0|1,0,1]=4 568 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [1,0,1,0,0,0|1,0,1]=4 569 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,1,0,0,0|0,0,2]=4 570 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,1,0,0,0|0,0,2]=4 571 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,1,0,0,0|0,0,2]=4 572 B11R1.13 C=C=Cc1cccc(c1Br)O 271570a_100015277604_100010187914 [1,0,1,0,0,0|1,0,1]=4 573 B11R1.13 C=C=Cc1cccc(c1C)O 271570a_100015277604_100012002258 [1,0,1,0,0,0|0,0,2]=4 574 B11R1.13 C=C=Cc1cccc(c1Cl)O 271570a_100015277604_100000049636 [1,0,1,0,0,0|1,0,1]=4 575 B11R1.13 C=C=Cc1cccc(c1F)O 271570a_100015277604_100009817021 [1,0,1,0,0,0|1,0,1]=4 576 B11R1.13 C=C=Cc1cccc(c1N)O 271570a_100015277604_100011934926 [1,0,1,0,0,0|1,0,1]=4 577 B11R1.13 C=C=Cc1cccc(c1O)O 271570a_100015277604_100009815950 [1,0,1,0,0,0|1,0,1]=4 578 B11R1.13 CC=Cc1cccc(c1Br)O 271570a_100016259895_100010187914 [1,0,1,0,0,0|1,0,1]=4 579 B11R1.13 CC=Cc1cccc(c1C)O 271570a_100016259895_100012002258 [1,0,1,0,0,0|0,0,2]=4 580 B11R1.13 CC=Cc1cccc(c1Cl)O 271570a_100016259895_100000049636 [1,0,1,0,0,0|1,0,1]=4 581 B11R1.13 CC=Cc1cccc(c1F)O 271570a_100016259895_100009817021 [1,0,1,0,0,0|1,0,1]=4 582 B11R1.13 CC=Cc1cccc(c1N)O 271570a_100016259895_100011934926 [1,0,1,0,0,0|1,0,1]=4 583 B11R1.13 CC=Cc1cccc(c1O)O 271570a_100016259895_100009815950 [1,0,1,0,0,0|1,0,1]=4 584 B11R1.41 C=C=Cc1ccccc1C=O 271570a_100015277604_100000211189 [1,0,1,0,0,0|0,0,2]=4 585 B11R1.41 C=C=Cc1ccccc1CO 271570a_100015277604_100000187465 [1,0,1,0,0,0|0,0,2]=4 586 B11R1.41 C=CCc1ccccc1C=C 271570a_100011290941_100009828059 [1,0,1,0,0,0|1,0,1]=4 587 B11R1.41 C=Cc1ccccc1CCO 271570a_100011290941_100000731337 [1,0,1,0,0,0|0,0,2]=4 588 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [1,0,1,0,0,0|0,0,2]=4 589 B11R1.41 CC=Cc1ccccc1CO 271570a_100016259895_100000187465 [1,0,1,0,0,0|0,0,2]=4 590 B11R1.182 C=C=Cc1cc(ccc1Br)O 271570a_100015277604_100012339312 [1,0,1,0,0,0|1,0,1]=4 591 B11R1.182 C=C=Cc1cc(ccc1C)O 271570a_100015277604_100011380479 [1,0,1,0,0,0|0,0,2]=4 592 B11R1.182 C=C=Cc1cc(ccc1Cl)O 271570a_100015277604_100000049588 [1,0,1,0,0,0|1,0,1]=4 593 B11R1.182 C=C=Cc1cc(ccc1F)O 271570a_100015277604_100000693481 [1,0,1,0,0,0|1,0,1]=4 594 B11R1.182 C=C=Cc1cc(ccc1N)O 271570a_100015277604_100012001276 [1,0,1,0,0,0|1,0,1]=4 595 B11R1.182 C=C=Cc1cc(ccc1O)Br 271570a_100015277604_100012355227 [1,0,1,0,0,0|1,0,1]=4 596 B11R1.182 C=C=Cc1cc(ccc1O)C 271570a_100015277604_100000765521 [1,0,1,0,0,0|1,0,1]=4 597 B11R1.182 C=C=Cc1cc(ccc1O)Cl 271570a_100015277604_100011356953 [1,0,1,0,0,0|1,0,1]=4 598 B11R1.182 C=C=Cc1cc(ccc1O)F 271570a_100015277604_100000211999 [1,0,1,0,0,0|1,0,1]=4 599 B11R1.182 C=C=Cc1cc(ccc1O)N 271570a_100015277604_100011534360 [1,0,1,0,0,0|1,0,1]=4 600 B11R1.182 C=C=Cc1cc(ccc1O)O 271570a_100015277604_100009813629 [1,0,1,0,0,0|0,0,1]=3 601 B11R1.182 CC=Cc1cc(ccc1Br)O 271570a_100016259895_100012339312 [1,0,1,0,0,0|1,0,1]=4 602 B11R1.182 CC=Cc1cc(ccc1C)O 271570a_100016259895_100011380479 [1,0,1,0,0,0|0,0,2]=4 603 B11R1.182 CC=Cc1cc(ccc1Cl)O 271570a_100016259895_100000049588 [1,0,1,0,0,0|1,0,1]=4 604 B11R1.182 CC=Cc1cc(ccc1F)O 271570a_100016259895_100000693481 [1,0,1,0,0,0|1,0,1]=4 605 B11R1.182 CC=Cc1cc(ccc1N)O 271570a_100016259895_100012001276 [1,0,1,0,0,0|1,0,1]=4 606 B11R1.182 CC=Cc1cc(ccc1O)Br 271570a_100016259895_100012355227 [1,0,1,0,0,0|1,0,1]=4 607 B11R1.182 CC=Cc1cc(ccc1O)C 271570a_100016259895_100000765521 [1,0,1,0,0,0|1,0,1]=4 608 B11R1.182 CC=Cc1cc(ccc1O)Cl 271570a_100016259895_100011356953 [1,0,1,0,0,0|1,0,1]=4 609 B11R1.182 CC=Cc1cc(ccc1O)F 271570a_100016259895_100000211999 [1,0,1,0,0,0|1,0,1]=4 610 B11R1.182 CC=Cc1cc(ccc1O)N 271570a_100016259895_100011534360 [1,0,1,0,0,0|1,0,1]=4 611 B11R1.182 CC=Cc1cc(ccc1O)O 271570a_100016259895_100009813629 [1,0,1,0,0,0|0,0,1]=3 612 B11R1.265 C=Cc1c(cccc1C#N)O 271570a_100011290941_100009818990 [1,0,1,0,0,0|1,0,1]=4 613 B11R1.265 C=Cc1c(cccc1C=O)F 271570a_100011290941_100011998484 [1,0,1,0,0,0|1,0,1]=4 614 B11R1.265 C=Cc1c(cccc1C=O)O 271570a_100011290941_100009816417 [1,0,1,0,0,0|0,0,1]=3 615 B11R1.265 C=Cc1c(cccc1CO)Br 271570a_100011290941_100010146604 [1,0,1,0,0,0|1,0,1]=4 616 B11R1.265 C=Cc1c(cccc1CO)C 271570a_100011290941_100011659289 [1,0,1,0,0,0|1,0,1]=4 617 B11R1.265 C=Cc1c(cccc1CO)F 271570a_100011290941_100000692438 [1,0,1,0,0,0|1,0,1]=4 618 B11R1.265 C=Cc1c(cccc1OC)O 271570a_100011290941_100010202623 [1,0,1,0,0,0|1,0,1]=4 619 B11R1.265 C=Cc1cccc(c1C#N)O 271570a_100011290941_100012180507 [1,0,1,0,0,0|1,0,1]=4 620 B11R1.265 C=Cc1cccc(c1C=O)C 271570a_100011290941_100000041122 [1,0,1,0,0,0|2,0,0]=4 621 B11R1.265 C=Cc1cccc(c1C=O)Cl 271570a_100011290941_100010147682 [1,0,1,0,0,0|2,0,0]=4 622 B11R1.265 C=Cc1cccc(c1C=O)F 271570a_100011290941_100000210083 [1,0,1,0,0,0|2,0,0]=4 623 B11R1.265 C=Cc1cccc(c1C=O)N 271570a_100011290941_100010232536 [1,0,1,0,0,0|2,0,0]=4 624 B11R1.265 C=Cc1cccc(c1C=O)O 271570a_100011290941_100009814793 [1,0,1,0,0,0|1,0,0]=3 625 B11R1.265 C=Cc1cccc(c1OC)O 271570a_100011290941_100010234590 [1,0,1,0,0,0|1,0,1]=4 626 B11R1.265 C=Cc1nccc(c1C=O)O 271570a_100011290941_200010729673 [1,0,1,0,0,0|2,0,0]=4 627 B11R1.605 C=C=Cc1c(cccc1Br)O 271570a_100015277604_100010187912 [1,0,1,0,0,0|1,0,1]=4 628 B11R1.605 C=C=Cc1c(cccc1Cl)O 271570a_100015277604_100000050174 [1,0,1,0,0,0|1,0,1]=4 629 B11R1.605 C=C=Cc1c(cccc1F)O 271570a_100015277604_100009820682 [1,0,1,0,0,0|1,0,1]=4 630 B11R1.605 C=C=Cc1c(cccc1O)C 271570a_100015277604_100000686692 [1,0,1,0,0,0|0,0,2]=4 631 B11R1.605 C=C=Cc1c(cccc1O)N 271570a_100015277604_100012183704 [1,0,1,0,0,0|1,0,1]=4 632 B11R1.605 C=C=Cc1c(cccc1O)O 271570a_100015277604_100010205330 [1,0,1,0,0,0|1,0,1]=4 633 B11R1.605 CC=Cc1c(cccc1Br)O 271570a_100016259895_100010187912 [1,0,1,0,0,0|1,0,1]=4 634 B11R1.605 CC=Cc1c(cccc1Cl)O 271570a_100016259895_100000050174 [1,0,1,0,0,0|1,0,1]=4 635 B11R1.605 CC=Cc1c(cccc1F)O 271570a_100016259895_100009820682 [1,0,1,0,0,0|1,0,1]=4 636 B11R1.605 CC=Cc1c(cccc1O)C 271570a_100016259895_100000686692 [1,0,1,0,0,0|0,0,2]=4 637 B11R1.605 CC=Cc1c(cccc1O)N 271570a_100016259895_100012183704 [1,0,1,0,0,0|1,0,1]=4 638 B11R1.605 CC=Cc1c(cccc1O)O 271570a_100016259895_100010205330 [1,0,1,0,0,0|1,0,1]=4 639 B11R1.81 C=C=Cc1ccc(cc1Br)O 271570a_100015277604_100000701344 [1,0,1,0,0,0|1,0,1]=4 640 B11R1.81 C=C=Cc1ccc(cc1C)O 271570a_100015277604_100000729255 [1,0,1,0,0,0|0,0,2]=4 641 B11R1.81 C=C=Cc1ccc(cc1Cl)O 271570a_100015277604_100000047559 [1,0,1,0,0,0|1,0,1]=4 642 B11R1.81 C=C=Cc1ccc(cc1F)O 271570a_100015277604_100000755031 [1,0,1,0,0,0|1,0,1]=4 643 B11R1.81 C=C=Cc1ccc(cc1N)O 271570a_100015277604_100011999798 [1,0,1,0,0,0|1,0,1]=4 644 B11R1.81 C=C=Cc1ccc(cc1O)O 271570a_100015277604_100009813921 [1,0,1,0,0,0|1,0,1]=4 645 B11R1.81 CC=Cc1ccc(cc1Br)O 271570a_100016259895_100000701344 [1,0,1,0,0,0|1,0,1]=4 646 B11R1.81 CC=Cc1ccc(cc1C)O 271570a_100016259895_100000729255 [1,0,1,0,0,0|0,0,2]=4 647 B11R1.81 CC=Cc1ccc(cc1Cl)O 271570a_100016259895_100000047559 [1,0,1,0,0,0|1,0,1]=4 648 B11R1.81 CC=Cc1ccc(cc1F)O 271570a_100016259895_100000755031 [1,0,1,0,0,0|1,0,1]=4 649 B11R1.81 CC=Cc1ccc(cc1N)O 271570a_100016259895_100011999798 [1,0,1,0,0,0|1,0,1]=4 650 B11R1.81 CC=Cc1ccc(cc1O)O 271570a_100016259895_100009813921 [1,0,1,0,0,0|1,0,1]=4 651 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)O 1458a_100000212099_100102629194 [0,1,1,0,0,0|0,0,2]=4 652 B13R1.17 C=CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000754431 [0,1,1,0,0,0|0,0,2]=4 653 B13R1.17 C=CCCC(=O)c1ccc(cc1)O 271570a_203496583355_200012050250 [0,1,1,0,0,0|0,0,2]=4 654 B13R1.17 C=CCCC(O)c1ccc(cc1)O 271570a_203496583355_200012050447 [0,1,1,0,0,0|0,0,2]=4 655 B13R1.17 C=CCNC(=O)c1ccc(cc1)O 240690a_100020586998_100000212099 [0,1,1,0,0,0|0,0,2]=4 656 B13R1.17 C=CCNC(=O)c1ccc(cc1)O 527a_100020586998_100000212099 [0,1,1,0,0,0|0,0,2]=4 657 B13R1.17 CC=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000070051 [0,1,1,0,0,0|0,0,2]=4 658 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000185746 [0,1,1,0,0,0|2,0,0]=4 659 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000748629 [0,1,1,0,0,0|0,0,2]=4 660 B13R1.132 C=C(F)CC(=O)c1ccc(cc1)O 1458a_100000212099_100009893438 [0,1,1,0,0,0|0,0,2]=4 661 B13R1.452 C=CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210623 [0,1,1,0,0,0|0,0,2]=4 662 B13R1.452 C=CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210623 [0,1,1,0,0,0|0,0,2]=4 663 B13R1.466 C=CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210623 [0,1,1,0,0,0|0,0,2]=4 664 B13R1.466 C=CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210623 [0,1,1,0,0,0|0,0,2]=4 665 B13R1.466 C=CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210623 [0,1,1,0,0,0|0,0,2]=4 666 B13R1.466 C=CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210623 [0,1,1,0,0,0|0,0,2]=4 667 B13R1.466 C=CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210623 [0,1,1,0,0,0|0,0,2]=4 668 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210623 [0,1,1,0,0,0|0,0,2]=4 669 B13R1.1511 C=CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210623 [0,1,1,0,0,0|0,0,2]=4 670 B13R1.1511 C=CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210623 [0,1,1,0,0,0|0,0,2]=4 671 B13R1.1511 C=CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210623 [0,1,1,0,0,0|0,0,2]=4 672 B13R1.1511 C=CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210623 [0,1,1,0,0,0|0,0,2]=4 673 B13R1.1511 C=CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210623 [0,1,1,0,0,0|0,0,2]=4 674 B13R1.15 COC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_100000149372 [0,1,1,0,0,0|2,0,0]=4 675 B13R1.18 C/C=C/CC(=O)c1cccc(c1)O 1458a_100000183914_100102629194 [0,1,1,0,0,0|1,0,1]=4 676 B13R1.18 CC=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000070051 [0,1,1,0,0,0|1,0,1]=4 677 B13R1.20 CC=CC(=O)Cc1cccc(c1)O 1458a_100000210699_100011660834 [0,1,1,0,0,0|1,0,1]=4 678 B13R1.20 CC=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210699 [0,1,1,0,0,0|2,0,0]=4 679 B13R1.20 CC=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000210699 [0,1,1,0,0,0|2,0,0]=4 680 B13R1.20 O=C(C=CBr)Cc1cccc(c1)O 1458a_100016273825_100011660834 [0,1,1,0,0,0|1,0,1]=4 681 B13R1.20 O=C(C=CBr)Nc1cccc(c1)O 1626a_100000210217_100016273825 [0,1,1,0,0,0|2,0,0]=4 682 B13R1.20 O=C(C=CCl)Cc1cccc(c1)O 1458a_200016279998_100011660834 [0,1,1,0,0,0|1,0,1]=4 683 B13R1.20 O=C(C=CCl)Nc1cccc(c1)O 1626a_100000210217_200016279998 [0,1,1,0,0,0|2,0,0]=4 684 B13R1.20 O=C(C=CI)Cc1cccc(c1)O 1458a_100016256311_100011660834 [0,1,1,0,0,0|1,0,1]=4 685 B13R1.20 O=C(C=CI)Nc1cccc(c1)O 1626a_100000210217_100016256311 [0,1,1,0,0,0|2,0,0]=4 686 B13R1.40 C=CC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000185746 [0,1,1,0,0,0|1,0,1]=4 687 B13R1.40 C=CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000185746 [0,1,1,0,0,0|1,0,1]=4 688 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000185746 [0,1,1,0,0,0|1,0,1]=4 689 B13R1.81 C=CC(=O)Cc1cccc(c1)CO 1458a_100000185746_100010188025 [0,1,1,0,0,0|0,0,2]=4 690 B13R1.81 C=CC(=O)Cc1cccc(c1)OC 1458a_100000185746_100000211672 [0,1,1,0,0,0|0,0,2]=4 691 B13R1.81 C=CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000185746 [0,1,1,0,0,0|1,0,1]=4 692 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 1626a_100000210024_100000185746 [0,1,1,0,0,0|1,0,1]=4 693 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 22a_100000210024_100000185746 [0,1,1,0,0,0|1,0,1]=4 694 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 34a_100011235909_200000210301 [0,1,1,0,0,0|1,0,1]=4 695 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 7a_100011235909_200000210301 [0,1,1,0,0,0|1,0,1]=4 696 B13R1.81 C=CC(=O)Nc1cccc(c1)O[13CH3] 34a_100011235909_200025704644 [0,1,1,0,0,0|1,0,1]=4 697 B13R1.81 C=CC(=O)Nc1cccc(c1)O[13CH3] 7a_100011235909_200025704644 [0,1,1,0,0,0|1,0,1]=4 698 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)O 1626a_100000210217_100009813364 [0,1,1,0,0,0|1,0,1]=4 699 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)O 1458a_100000185857_100011660834 [0,1,1,0,0,0|0,0,2]=4 700 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000185857 [0,1,1,0,0,0|1,0,1]=4 701 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 22a_100000210217_100000185857 [0,1,1,0,0,0|1,0,1]=4 702 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000039160 [0,1,1,0,0,0|1,0,1]=4 703 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)O 22a_100000210217_100000039160 [0,1,1,0,0,0|1,0,1]=4 704 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000036797 [0,1,1,0,0,0|1,0,1]=4 705 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)O 22a_100000210217_100000036797 [0,1,1,0,0,0|1,0,1]=4 706 B13R1.2872 C=CC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000185746 [0,1,1,0,0,0|1,0,1]=4 707 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000185746 [0,1,1,0,0,0|1,0,1]=4 708 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100000185746 [0,1,1,0,0,0|1,0,1]=4 709 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000185746 [0,1,1,0,0,0|1,0,1]=4 710 B13R1.2874 C=CC(=O)Nc1cc(cc(c1)Cl)O 1626a_100000123917_100000185746 [0,1,1,0,0,0|1,0,1]=4 711 B13R1.2874 C=CC(=O)Nc1cc(cc(c1)Cl)O 22a_100000123917_100000185746 [0,1,1,0,0,0|1,0,1]=4 712 B13R1.2874 C=CC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100000185746 [0,1,1,0,0,0|1,0,1]=4 713 B13R1.2874 C=CC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000185746 [0,1,1,0,0,0|1,0,1]=4 714 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000185746 [0,1,1,0,0,0|1,0,1]=4 715 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000185746 [0,1,1,0,0,0|1,0,1]=4 716 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000185746 [0,1,1,0,0,0|1,0,1]=4 717 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000185746 [0,1,1,0,0,0|1,0,1]=4 718 B13R1.99 C=C(C)c1ccc(cc1C=O)OC 271570a_100000694244_100000691568 [0,1,1,0,0,0|2,0,0]=4 719 B13R1.99 C=Cc1cc(ccc1C(=O)C)OC 271570a_100011290941_100000697255 [0,1,1,0,0,0|0,0,2]=4 720 B13R1.99 C=Cc1cc(ccc1C(=O)N)OC 271570a_100011290941_200009815664 [0,1,1,0,0,0|1,0,1]=4 721 B13R1.99 C=Cc1cc(ccc1C(C)O)OC 271570a_100011290941_100000697252 [0,1,1,0,0,0|0,0,2]=4 722 B13R1.165 C=C(C)c1cc(ccc1C(=O)C)O 271570a_100000694244_100012340537 [0,1,1,0,0,0|0,0,2]=4 723 B13R1.356 C=C=Cc1cc(ccc1C(=O)C)O 271570a_100015277604_100012340537 [0,1,1,0,0,0|0,0,2]=4 724 B13R1.356 CC=Cc1cc(ccc1C(=O)C)O 271570a_100016259895_100012340537 [0,1,1,0,0,0|0,0,2]=4 725 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)Br 271570a_100011290941_100000701758 [0,1,1,0,0,0|2,0,0]=4 726 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)C 271570a_100011290941_100012340597 [0,1,1,0,0,0|2,0,0]=4 727 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)Cl 271570a_100011290941_100000047510 [0,1,1,0,0,0|2,0,0]=4 728 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)F 271570a_100011290941_100000204356 [0,1,1,0,0,0|2,0,0]=4 729 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)N 271570a_100011290941_100009998378 [0,1,1,0,0,0|2,0,0]=4 730 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)O 271570a_100011290941_100010150825 [0,1,1,0,0,0|1,0,0]=3 731 B13R1.2065 C=Cc1nc(ccc1C(=O)OC)O 271570a_100011290941_100016008356 [0,1,1,0,0,0|2,0,0]=4 732 B13R1.2065 COC(=O)c1ccc(cc1C=O)O 271570a_203496583355_100010732994 [0,1,1,0,0,0|2,0,0]=4 733 B13R1.2398 C=C(C)c1cc(c(cc1C=O)O)C 271570a_100000694244_100010186689 [0,1,1,0,0,0|2,0,0]=4 734 B13R1.90 CC(O)C=Cc1ccccc1CO 271570a_200011019289_100000187465 [0,1,1,0,0,0|0,0,2]=4 735 B13R1.90 COc1ccccc1C=CC(=O)C 1458a_100000182468_200000210301 [0,1,1,0,0,0|0,0,2]=4 736 B13R1.90 COc1ccccc1C=CC(=O)[13CH3] 1458a_100000182468_200025704644 [0,1,1,0,0,0|0,0,2]=4 737 B13R1.90 COc1ccccc1C=CC(C)O 271570a_200011019289_100000174000 [0,1,1,0,0,0|0,0,2]=4 738 B13R1.150 CC(O)C=Cc1cccc(c1O)Br 271570a_200011019289_100010084509 [0,1,1,0,0,0|0,0,2]=4 739 B13R1.150 CC(O)C=Cc1cccc(c1O)Cl 271570a_200011019289_100010202889 [0,1,1,0,0,0|0,0,2]=4 740 B13R1.150 CC(O)C=Cc1cccc(c1O)F 271570a_200011019289_100009813666 [0,1,1,0,0,0|0,0,2]=4 741 B13R1.150 CC(O)C=Cc1cccc(c1O)N 271570a_200011019289_100011934915 [0,1,1,0,0,0|0,0,2]=4 742 B13R1.150 CC(O)C=Cc1cccc(c1O)O 271570a_200011019289_100009815950 [0,1,1,0,0,0|0,0,2]=4 743 B13R1.150 Cc1cccc(c1O)C=CC(C)O 271570a_200011019289_100009817157 [0,1,1,0,0,0|0,0,2]=4 744 B13R1.157 CC(C)(O)C=Cc1ccccc1O 271570a_200016258132_100000739446 [0,1,1,0,0,0|0,0,2]=4 745 B13R1.164 CC(O)C=Cc1ccc(cc1O)Br 271570a_200011019289_100012344904 [0,1,1,0,0,0|0,0,2]=4 746 B13R1.164 CC(O)C=Cc1ccc(cc1O)Cl 271570a_200011019289_100000050036 [0,1,1,0,0,0|0,0,2]=4 747 B13R1.164 CC(O)C=Cc1ccc(cc1O)F 271570a_200011019289_100000690578 [0,1,1,0,0,0|0,0,2]=4 748 B13R1.164 CC(O)C=Cc1ccc(cc1O)O 271570a_200011019289_100009813921 [0,1,1,0,0,0|0,0,2]=4 749 B13R1.164 Cc1ccc(c(c1)O)C=CC(C)O 271570a_200011019289_100012002257 [0,1,1,0,0,0|0,0,2]=4 750 B13R1.201 C=C(C)CC(=O)c1ccccc1O 1458a_100015234032_100000748629 [0,1,1,0,0,0|1,0,1]=4 751 B13R1.201 C=C(F)CC(=O)c1ccccc1O 1458a_100015234032_100009893438 [0,1,1,0,0,0|1,0,1]=4 752 B13R1.202 C=C(C)C(=O)Nc1ccccc1O 22a_100000185747_100000185857 [0,1,1,0,0,0|2,0,0]=4 753 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1O 22a_100000185747_100000039160 [0,1,1,0,0,0|2,0,0]=4 754 B13R1.202 C=C(F)C(=O)Nc1ccccc1O 22a_100000185747_100000036797 [0,1,1,0,0,0|2,0,0]=4 755 B13R1.528 CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210202 [0,1,1,0,0,0|0,0,2]=4 756 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [0,1,1,0,0,0|1,0,0]=3 757 B13R1.528 O=C(C=Cc1ccccc1O)CF 1458a_100016263591_100015361967 [0,1,1,0,0,0|0,0,2]=4 758 B13R1.893 CC(O)C=Cc1cc(ccc1O)Br 271570a_200011019289_100012355227 [0,1,1,0,0,0|0,0,2]=4 759 B13R1.893 CC(O)C=Cc1cc(ccc1O)Cl 271570a_200011019289_100011356953 [0,1,1,0,0,0|0,0,2]=4 760 B13R1.893 CC(O)C=Cc1cc(ccc1O)F 271570a_200011019289_100000211999 [0,1,1,0,0,0|0,0,2]=4 761 B13R1.893 CC(O)C=Cc1cc(ccc1O)N 271570a_200011019289_100011534360 [0,1,1,0,0,0|0,0,2]=4 762 B13R1.893 CC(O)C=Cc1cc(ccc1O)O 271570a_200011019289_100009813629 [0,1,1,0,0,0|0,0,2]=4 763 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)O 271570a_200011019289_100000765521 [0,1,1,0,0,0|0,0,2]=4 764 B13R1.3787 CC(O)C=Cc1c(cccc1Br)O 271570a_200011019289_100010187912 [0,1,1,0,0,0|0,0,2]=4 765 B13R1.3787 CC(O)C=Cc1c(cccc1Cl)O 271570a_200011019289_100000050174 [0,1,1,0,0,0|0,0,2]=4 766 B13R1.3787 CC(O)C=Cc1c(cccc1F)O 271570a_200011019289_100009820682 [0,1,1,0,0,0|0,0,2]=4 767 B13R1.3787 CC(O)C=Cc1c(cccc1O)N 271570a_200011019289_100012183704 [0,1,1,0,0,0|0,0,2]=4 768 B13R1.3787 CC(O)C=Cc1c(cccc1O)O 271570a_200011019289_100010205330 [0,1,1,0,0,0|0,0,2]=4 769 B13R1.3787 Cc1cccc(c1C=CC(C)O)O 271570a_200011019289_100000686692 [0,1,1,0,0,0|0,0,2]=4 770 B13R1.115 CC(=Cc1cccc(c1C=O)O)C 271570a_100102525489_100009814793 [0,1,1,0,0,0|1,0,1]=4 771 B13R1.355 C=C=Cc1cc(ccc1C=O)OC 271570a_100015277604_100000723261 [0,1,1,0,0,0|0,0,2]=4 772 B13R1.355 C=C=Cc1cc(ccc1CO)CO 271570a_100015277604_100010881536 [0,1,1,0,0,0|0,0,2]=4 773 B13R1.355 C=C=Cc1cc(ccc1CO)OC 271570a_100015277604_100011982768 [0,1,1,0,0,0|0,0,2]=4 774 B13R1.355 CC=Cc1cc(ccc1C=O)OC 271570a_100016259895_100000723261 [0,1,1,0,0,0|0,0,2]=4 775 B13R1.355 CC=Cc1cc(ccc1CO)CO 271570a_100016259895_100010881536 [0,1,1,0,0,0|0,0,2]=4 776 B13R1.355 CC=Cc1cc(ccc1CO)OC 271570a_100016259895_100011982768 [0,1,1,0,0,0|0,0,2]=4 777 B13R1.556 C=CCSc1cc(ccc1C=O)O 62a_100000210623_100011236494 [0,1,1,0,0,0|0,0,2]=4 778 B13R1.556 C=CCSc1cc(ccc1C=O)O 62a_100011236494_100000210623 [0,1,1,0,0,0|0,0,2]=4 779 B13R1.556 C=CCSc1cc(ccc1CO)O 62a_100000210623_100010146404 [0,1,1,0,0,0|0,0,2]=4 780 B13R1.556 C=CCSc1cc(ccc1CO)O 62a_100010146404_100000210623 [0,1,1,0,0,0|0,0,2]=4 781 B13R1.3089 CC(=Cc1cc(ccc1C=O)O)C 271570a_100102525489_100011236494 [0,1,1,0,0,0|0,0,2]=4 782 B13R1.3089 CC(=Cc1cc(ccc1CO)O)C 271570a_100102525489_100010146404 [0,1,1,0,0,0|0,0,2]=4 783 B13R1.107 C=Cc1c(cccc1C(=O)OC)O 271570a_100011290941_200010230364 [0,1,1,0,0,0|2,0,0]=4 784 B13R1.2897 CC=Cc1cccc(c1C(=O)C)O 271570a_100016259895_100010174959 [0,1,1,0,0,0|1,0,1]=4 785 B13R1.3911 CC=Cc1cccc(c1C=O)OC 271570a_100016259895_100009814803 [0,1,1,0,0,0|2,0,0]=4 786 B13R1.4020 CC=Cc1c(ccc(c1C=O)O)F 271570a_100016259895_100010762561 [0,1,1,0,0,0|2,0,0]=4 787 B13R1.4020 CC=Cc1c(ccc(c1C=O)O)O 271570a_100016259895_100010184888 [0,1,1,0,0,0|2,0,0]=4 788 B13R1.8919 COCC=Cc1c(cccc1Br)O 271570a_100016286323_100010187912 [0,1,1,0,0,0|1,0,1]=4 789 B13R1.8919 COCC=Cc1c(cccc1Cl)O 271570a_100016286323_100000050174 [0,1,1,0,0,0|1,0,1]=4 790 B13R1.8919 COCC=Cc1c(cccc1F)O 271570a_100016286323_100009820682 [0,1,1,0,0,0|1,0,1]=4 791 B13R1.8919 COCC=Cc1c(cccc1O)C 271570a_100016286323_100000686692 [0,1,1,0,0,0|0,0,2]=4 792 B13R1.8919 COCC=Cc1c(cccc1O)N 271570a_100016286323_100012183704 [0,1,1,0,0,0|1,0,1]=4 793 B13R1.8919 COCC=Cc1c(cccc1O)O 271570a_100016286323_100010205330 [0,1,1,0,0,0|1,0,1]=4 794 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [1,1,0,0,0,0|0,0,0]=2 795 B13R2.32 Cc1c(ccc2c1cccn2)O 271570a_203496583355_200010137439 [1,1,0,0,0,0|1,0,0]=3 796 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [1,1,0,0,0,0|1,0,0]=3 797 B13R2.32 Cc1c(ccc2c1nccn2)O 271570a_203496583355_100135414757 [1,1,0,0,0,0|2,0,0]=4 798 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [1,1,0,0,0,0|1,0,0]=3 799 B13R2.32 Cc1ccc2cnccc2c1O 271570a_203496583355_100010204589 [1,1,0,0,0,0|2,0,0]=4 800 B13R2.32 Cc1cnc2ccccc2c1O 271570a_203496583355_100000092342 [1,1,0,0,0,0|2,0,0]=4 801 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [1,1,0,0,0,0|0,0,0]=2 802 B13R2.32 Nc1c(ccc2c1cccn2)O 271570a_203496583355_200010235790 [1,1,0,0,0,0|1,0,0]=3 803 B13R2.32 Nc1c(ccc2c1ccnc2)O 271570a_203496583355_100010191621 [1,1,0,0,0,0|1,0,0]=3 804 B13R2.32 Nc1c(cnc2c1cccc2)O 271570a_203496583355_100009995562 [1,1,0,0,0,0|1,0,0]=3 805 B13R2.32 Nc1c(ncc2c1cccc2)O 271570a_203496583355_100000087573 [1,1,0,0,0,0|1,0,0]=3 806 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [1,1,0,0,0,0|1,0,0]=3 807 B13R2.32 Nc1ccc2cnccc2c1O 271570a_203496583355_100010245214 [1,1,0,0,0,0|2,0,0]=4 808 B13R2.32 Nc1ccc2ncccc2c1O 271570a_203496583355_200009995563 [1,1,0,0,0,0|2,0,0]=4 809 B13R2.32 Nc1cnc2ccccc2c1O 271570a_203496583355_100012243074 [1,1,0,0,0,0|2,0,0]=4 810 B13R2.32 Nc1ncc2ccccc2c1O 271570a_203496583355_100009994184 [1,1,0,0,0,0|2,0,0]=4 811 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [1,1,0,0,0,0|1,0,0]=3 812 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [1,1,0,0,0,0|1,0,0]=3 813 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [1,1,0,0,0,0|1,0,0]=3 814 B13R2.32 Oc1c(ccc2c1ccnc2)F 271570a_203496583355_100010272212 [1,1,0,0,0,0|2,0,0]=4 815 B13R2.32 Oc1c(ccc2c1cncc2)F 271570a_203496583355_200015767032 [1,1,0,0,0,0|2,0,0]=4 816 B13R2.32 Oc1c(cnc2c1cccc2)Br 271570a_203496583355_200010179490 [1,1,0,0,0,0|2,0,0]=4 817 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [1,1,0,0,0,0|0,0,0]=2 818 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [1,1,0,0,0,0|0,0,0]=2 819 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [1,1,0,0,0,0|0,0,0]=2 820 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [1,1,0,0,0,0|0,0,0]=2 821 B13R2.32 Oc1ccc2cccnc2c1F 271570a_203496583355_100010751467 [1,1,0,0,0,0|1,0,0]=3 822 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100009816563 [1,1,0,0,0,0|1,0,0]=3 823 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100010173343 [1,1,0,0,0,0|1,0,0]=3 824 B13R2.32 Oc1ccc2ccncc2c1O 271570a_203496583355_200010115057 [1,1,0,0,0,0|1,0,0]=3 825 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [1,1,0,0,0,0|1,0,0]=3 826 B13R2.32 Oc1nnc2ccccc2c1O 271570a_203496583355_100000688347 [1,1,0,0,0,0|2,0,0]=4 827 B13R2.57 C=Cc1cc2ccccc2cn1 271570a_100011290941_100000047361 [1,1,0,0,0,0|2,0,0]=4 828 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [1,1,0,0,0,0|1,0,0]=3 829 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [1,1,0,0,0,0|2,0,0]=4 830 B13R2.57 C=Cc1ccc2cccnc2c1 271570a_100011290941_100009816655 [1,1,0,0,0,0|2,0,0]=4 831 B13R2.57 C=Cc1ccc2ccncc2c1 271570a_100011290941_100000686496 [1,1,0,0,0,0|2,0,0]=4 832 B13R2.57 C=Cc1ccc2cnccc2c1 271570a_100011290941_100009816743 [1,1,0,0,0,0|2,0,0]=4 833 B13R2.57 C=Cc1ccc2ncccc2c1 271570a_100011290941_100000754243 [1,1,0,0,0,0|2,0,0]=4 834 B13R2.57 C=Cc1cnc2ccccc2c1 271570a_100011290941_100000737414 [1,1,0,0,0,0|2,0,0]=4 835 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [1,1,0,0,0,0|1,0,0]=3 836 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [1,1,0,0,0,0|1,0,0]=3 837 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [1,1,0,0,0,0|2,0,0]=4 838 B13R2.57 CNc1ccc2cccnc2c1 34a_100102887122_200000210301 [1,1,0,0,0,0|2,0,0]=4 839 B13R2.57 CNc1ccc2cnccc2c1 34a_100000039641_200000210301 [1,1,0,0,0,0|2,0,0]=4 840 B13R2.57 CNc1ccc2ncccc2c1 34a_100011198106_200000210301 [1,1,0,0,0,0|2,0,0]=4 841 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [1,1,0,0,0,0|0,0,0]=2 842 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [1,1,0,0,0,0|0,0,0]=2 843 B13R2.57 COc1ccc2cccnc2c1 34a_100011216045_200000210301 [1,1,0,0,0,0|1,0,0]=3 844 B13R2.57 COc1ccc2ccncc2c1 7a_100000752006_200000210301 [1,1,0,0,0,0|1,0,0]=3 845 B13R2.57 COc1ccc2cnccc2c1 34a_100000046372_200000210301 [1,1,0,0,0,0|1,0,0]=3 846 B13R2.57 COc1ccc2cnccc2c1 7a_100000046372_200000210301 [1,1,0,0,0,0|1,0,0]=3 847 B13R2.57 COc1ccc2ncccc2c1 34a_100011215586_200000210301 [1,1,0,0,0,0|1,0,0]=3 848 B13R2.57 COc1ccc2ncccc2c1 7a_100011215586_200000210301 [1,1,0,0,0,0|1,0,0]=3 849 B13R2.57 COc1ccc2nccnc2c1 34a_100000694412_200000210301 [1,1,0,0,0,0|2,0,0]=4 850 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [1,1,0,0,0,0|1,0,0]=3 851 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [1,1,0,0,0,0|1,0,0]=3 852 B13R2.57 CSc1cc2ccccc2cn1 62a_100009816522_200000210301 [1,1,0,0,0,0|1,1,0]=4 853 B13R2.57 CSc1cc2ccccc2cn1 62a_200000210301_100000047361 [1,1,0,0,0,0|1,1,0]=4 854 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [1,1,0,0,0,0|0,1,0]=3 855 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [1,1,0,0,0,0|1,1,0]=4 856 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [1,1,0,0,0,0|1,1,0]=4 857 B13R2.57 CSc1ccc2cccnc2c1 62a_200000210301_100009816655 [1,1,0,0,0,0|1,1,0]=4 858 B13R2.57 CSc1ccc2ccncc2c1 62a_100000686496_200000210301 [1,1,0,0,0,0|1,1,0]=4 859 B13R2.57 CSc1ccc2ccncc2c1 62a_200000210301_100000686496 [1,1,0,0,0,0|1,1,0]=4 860 B13R2.57 CSc1ccc2cnccc2c1 62a_100009816743_200000210301 [1,1,0,0,0,0|1,1,0]=4 861 B13R2.57 CSc1ccc2cnccc2c1 62a_200000210301_100009816743 [1,1,0,0,0,0|1,1,0]=4 862 B13R2.57 CSc1ccc2ncccc2c1 62a_100011215947_200000210301 [1,1,0,0,0,0|1,1,0]=4 863 B13R2.57 CSc1ccc2ncccc2c1 62a_200000210301_100011215947 [1,1,0,0,0,0|1,1,0]=4 864 B13R2.57 CSc1cnc2ccccc2c1 62a_200000210301_100000737414 [1,1,0,0,0,0|1,1,0]=4 865 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [1,1,0,0,0,0|1,0,0]=3 866 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [1,1,0,0,0,0|1,0,0]=3 867 B13R2.57 [13CH3]Nc1ccc2cccnc2c1 34a_100102887122_200025704644 [1,1,0,0,0,0|2,0,0]=4 868 B13R2.57 [13CH3]Nc1ccc2cnccc2c1 34a_100000039641_200025704644 [1,1,0,0,0,0|2,0,0]=4 869 B13R2.57 [13CH3]Nc1ccc2ncccc2c1 34a_100011198106_200025704644 [1,1,0,0,0,0|2,0,0]=4 870 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [1,1,0,0,0,0|0,0,0]=2 871 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [1,1,0,0,0,0|0,0,0]=2 872 B13R2.57 [13CH3]Oc1ccc2cccnc2c1 34a_100011216045_200025704644 [1,1,0,0,0,0|1,0,0]=3 873 B13R2.57 [13CH3]Oc1ccc2ccncc2c1 7a_100000752006_200025704644 [1,1,0,0,0,0|1,0,0]=3 874 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 34a_100000046372_200025704644 [1,1,0,0,0,0|1,0,0]=3 875 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 7a_100000046372_200025704644 [1,1,0,0,0,0|1,0,0]=3 876 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 34a_100011215586_200025704644 [1,1,0,0,0,0|1,0,0]=3 877 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 7a_100011215586_200025704644 [1,1,0,0,0,0|1,0,0]=3 878 B13R2.57 [13CH3]Oc1ccc2nccnc2c1 34a_100000694412_200025704644 [1,1,0,0,0,0|2,0,0]=4 879 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [1,1,0,0,0,0|1,0,0]=3 880 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [1,1,0,0,0,0|1,0,0]=3 881 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_100009816522_200025704644 [1,1,0,0,0,0|1,1,0]=4 882 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_200025704644_100000047361 [1,1,0,0,0,0|1,1,0]=4 883 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [1,1,0,0,0,0|0,1,0]=3 884 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [1,1,0,0,0,0|1,1,0]=4 885 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [1,1,0,0,0,0|1,1,0]=4 886 B13R2.57 [13CH3]Sc1ccc2cccnc2c1 62a_200025704644_100009816655 [1,1,0,0,0,0|1,1,0]=4 887 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_100000686496_200025704644 [1,1,0,0,0,0|1,1,0]=4 888 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_200025704644_100000686496 [1,1,0,0,0,0|1,1,0]=4 889 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_100009816743_200025704644 [1,1,0,0,0,0|1,1,0]=4 890 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_200025704644_100009816743 [1,1,0,0,0,0|1,1,0]=4 891 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_100011215947_200025704644 [1,1,0,0,0,0|1,1,0]=4 892 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_200025704644_100011215947 [1,1,0,0,0,0|1,1,0]=4 893 B13R2.57 [13CH3]Sc1cnc2ccccc2c1 62a_200025704644_100000737414 [1,1,0,0,0,0|1,1,0]=4 894 B13R2.155 Cc1ccc2ccc(cc2n1)O 271570a_203496583355_100009817087 [1,1,0,0,0,0|1,0,0]=3 895 B13R2.155 Cc1ccc2ncc(cc2c1)O 271570a_203496583355_100015841224 [1,1,0,0,0,0|1,0,0]=3 896 B13R2.155 Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100009817055 [1,1,0,0,0,0|1,0,0]=3 897 B13R2.155 Cc1ncc2ccc(cc2n1)O 271570a_203496583355_100010233817 [1,1,0,0,0,0|2,0,0]=4 898 B13R2.155 Nc1cc2cc(ccc2cn1)O 271570a_203496583355_100009817123 [1,1,0,0,0,0|1,0,0]=3 899 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [1,1,0,0,0,0|0,0,0]=2 900 B13R2.155 Nc1ccc2ccc(cc2n1)O 271570a_203496583355_100010187616 [1,1,0,0,0,0|1,0,0]=3 901 B13R2.155 Nc1ccc2ccc(nc2n1)O 271570a_203496583355_100000117679 [1,1,0,0,0,0|2,0,0]=4 902 B13R2.155 Nc1ccc2ncc(cc2c1)O 271570a_203496583355_100009888932 [1,1,0,0,0,0|1,0,0]=3 903 B13R2.155 Nc1cnc2ccc(cc2n1)O 271570a_203496583355_100010090528 [1,1,0,0,0,0|2,0,0]=4 904 B13R2.155 Nc1ncc2ccc(cc2n1)O 271570a_203496583355_100010199760 [1,1,0,0,0,0|2,0,0]=4 905 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [1,1,0,0,0,0|1,0,0]=3 906 B13R2.155 O=c1ccc2cnc(cc2[nH]1)O 271570a_203496583355_100010563892 [1,1,0,0,0,0|2,0,0]=4 907 B13R2.155 Oc1cc2cc(ccc2cn1)F 271570a_203496583355_100009828686 [1,1,0,0,0,0|1,0,0]=3 908 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [1,1,0,0,0,0|0,0,0]=2 909 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [1,1,0,0,0,0|1,0,0]=3 910 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [1,1,0,0,0,0|1,0,0]=3 911 B13R2.155 Oc1ccc2ccc(nc2n1)O 271570a_203496583355_200010218124 [1,1,0,0,0,0|2,0,0]=4 912 B13R2.155 Oc1ccc2cnc(cc2c1)F 271570a_203496583355_100010291885 [1,1,0,0,0,0|1,0,0]=3 913 B13R2.155 Oc1ccc2cnc(cc2c1)O 271570a_203496583355_100009817130 [1,1,0,0,0,0|1,0,0]=3 914 B13R2.155 Oc1ccc2ncc(cc2c1)Br 271570a_203496583355_200010254249 [1,1,0,0,0,0|1,0,0]=3 915 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100000703654 [1,1,0,0,0,0|1,0,0]=3 916 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010137430 [1,1,0,0,0,0|1,0,0]=3 917 B13R2.155 Oc1ccc2ncc(cc2n1)F 271570a_203496583355_100009889179 [1,1,0,0,0,0|2,0,0]=4 918 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_100010000190 [1,1,0,0,0,0|2,0,0]=4 919 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_200020640061 [1,1,0,0,0,0|2,0,0]=4 920 B13R2.155 Oc1cnc2ccc(cc2c1)Br 271570a_203496583355_100010740133 [1,1,0,0,0,0|1,0,0]=3 921 B13R2.155 Oc1cnc2ccc(cc2c1)Cl 271570a_203496583355_100015929906 [1,1,0,0,0,0|1,0,0]=3 922 B13R2.155 Oc1cnc2ccc(nc2c1)O 271570a_203496583355_100010009477 [1,1,0,0,0,0|2,0,0]=4 923 B13R2.155 Oc1ncc2ccc(cc2n1)F 271570a_203496583355_100000104070 [1,1,0,0,0,0|2,0,0]=4 924 B13R2.155 [O-][n+]1ccc2ccc(cc2c1)O 271570a_203496583355_100009816120 [1,1,0,0,0,0|1,0,0]=3 925 B13R2.162 Cc1ccc2cccc(c2n1)O 271570a_203496583355_100011934484 [1,1,0,0,0,0|2,0,0]=4 926 B13R2.162 Cc1ccc2cncc(c2c1)O 271570a_203496583355_100009817139 [1,1,0,0,0,0|2,0,0]=4 927 B13R2.162 Cc1ccc2nccc(c2c1)O 271570a_203496583355_100000751279 [1,1,0,0,0,0|2,0,0]=4 928 B13R2.162 Cc1cccc2c1cc(cc2)O 271570a_203496583355_100010089936 [1,1,0,0,0,0|0,0,0]=2 929 B13R2.162 Cc1cccc2c1nc(cc2)O 271570a_203496583355_100012002297 [1,1,0,0,0,0|1,0,0]=3 930 B13R2.162 Cc1ccnc2c1cc(cc2)O 271570a_203496583355_100009817033 [1,1,0,0,0,0|1,0,0]=3 931 B13R2.162 Cc1nccc2c1cc(cc2)O 271570a_203496583355_200010739692 [1,1,0,0,0,0|1,0,0]=3 932 B13R2.162 Cc1ncnc2c1cc(cc2)O 271570a_203496583355_100000700471 [1,1,0,0,0,0|2,0,0]=4 933 B13R2.162 Nc1ccc2cccc(c2n1)O 271570a_203496583355_100000687151 [1,1,0,0,0,0|2,0,0]=4 934 B13R2.162 Nc1ccc2nccc(c2c1)O 271570a_203496583355_100009879071 [1,1,0,0,0,0|2,0,0]=4 935 B13R2.162 Nc1cccc2c1cc(cc2)O 271570a_203496583355_100010090012 [1,1,0,0,0,0|0,0,0]=2 936 B13R2.162 Nc1cccc2c1cc(cn2)O 271570a_203496583355_100010264086 [1,1,0,0,0,0|1,0,0]=3 937 B13R2.162 Nc1ccnc2c1cc(cc2)O 271570a_203496583355_100011620571 [1,1,0,0,0,0|1,0,0]=3 938 B13R2.162 Nc1nccc2c1cc(cc2)O 271570a_203496583355_100012352255 [1,1,0,0,0,0|1,0,0]=3 939 B13R2.162 Nc1ncnc2c1cc(cc2)O 271570a_203496583355_100011390335 [1,1,0,0,0,0|2,0,0]=4 940 B13R2.162 O=c1[nH]ccc2c1cc(cn2)O 271570a_203496583355_100010134370 [1,1,0,0,0,0|2,0,0]=4 941 B13R2.162 O=c1[nH]cnc2c1cc(cc2)O 271570a_203496583355_100000755678 [1,1,0,0,0,0|2,0,0]=4 942 B13R2.162 O=c1[nH]ncc2c1cc(cc2)O 271570a_203496583355_100015864262 [1,1,0,0,0,0|2,0,0]=4 943 B13R2.162 O=c1cc[nH]c2c1cc(cc2)O 271570a_203496583355_100000746092 [1,1,0,0,0,0|1,0,0]=3 944 B13R2.162 O=c1ccc2cccc(c2[nH]1)O 271570a_203496583355_100000688906 [1,1,0,0,0,0|1,0,1]=4 945 B13R2.162 O=c1ccnc2n1cc(cc2)O 271570a_203496583355_100010178973 [1,1,0,0,0,0|2,0,0]=4 946 B13R2.162 O=c1ccoc2c1cc(cc2)O 271570a_203496583355_100009813387 [1,1,0,0,0,0|1,0,0]=3 947 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010089991 [1,1,0,0,0,0|0,0,0]=2 948 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010169565 [1,1,0,0,0,0|0,0,0]=2 949 B13R2.162 Oc1ccc2cccc(c2n1)F 271570a_203496583355_100012017632 [1,1,0,0,0,0|1,0,0]=3 950 B13R2.162 Oc1ccc2cccc(c2n1)O 271570a_203496583355_100010153751 [1,1,0,0,0,0|1,0,0]=3 951 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_100000010956 [1,1,0,0,0,0|1,0,0]=3 952 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_200009844553 [1,1,0,0,0,0|1,0,0]=3 953 B13R2.162 Oc1ccc2cncc(c2c1)O 271570a_203496583355_100010136424 [1,1,0,0,0,0|1,0,0]=3 954 B13R2.162 Oc1ccc2cncc(c2n1)O 271570a_203496583355_100009812673 [1,1,0,0,0,0|2,0,0]=4 955 B13R2.162 Oc1ccc2nccc(c2c1)Cl 271570a_203496583355_100011310491 [1,1,0,0,0,0|1,0,0]=3 956 B13R2.162 Oc1ccc2nccc(c2c1)O 271570a_203496583355_100000075933 [1,1,0,0,0,0|1,0,0]=3 957 B13R2.162 Oc1ccc2ncnc(c2c1)Cl 271570a_203496583355_100000757566 [1,1,0,0,0,0|2,0,0]=4 958 B13R2.162 Oc1ccc2nncc(c2c1)O 271570a_203496583355_100010074700 [1,1,0,0,0,0|2,0,0]=4 959 B13R2.162 Oc1ccnc2c1cc(cc2)Br 271570a_203496583355_100010189052 [1,1,0,0,0,0|2,0,0]=4 960 B13R2.162 Oc1ccnc2c1cc(cc2)F 271570a_203496583355_100011217270 [1,1,0,0,0,0|2,0,0]=4 961 B13R2.162 Oc1cnc2cccc(c2c1)O 271570a_203496583355_200010153752 [1,1,0,0,0,0|1,0,0]=3 962 B13R2.162 Oc1ncc2cccc(c2n1)O 271570a_203496583355_100010674811 [1,1,0,0,0,0|2,0,0]=4 963 B13R2.162 Oc1nccc2c1cc(cc2)F 271570a_203496583355_100010202866 [1,1,0,0,0,0|2,0,0]=4 964 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [1,1,0,0,0,0|2,0,0]=4 965 B13R2.328 Cc1cc(c2ncccc2c1)O 271570a_203496583355_100010113427 [1,1,0,0,0,0|2,0,0]=4 966 B13R2.328 Cc1cc(cc2c1nccc2)O 271570a_203496583355_100010130319 [1,1,0,0,0,0|1,0,0]=3 967 B13R2.328 Cc1cc(cc2c1nccn2)O 271570a_203496583355_100010080486 [1,1,0,0,0,0|2,0,0]=4 968 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [1,1,0,0,0,0|1,0,0]=3 969 B13R2.328 Cc1cc2ccccc2c(n1)O 271570a_203496583355_100000698243 [1,1,0,0,0,0|2,0,0]=4 970 B13R2.328 Cc1nc(nc2c1cccc2)O 271570a_203496583355_100000046098 [1,1,0,0,0,0|2,0,0]=4 971 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [1,1,0,0,0,0|1,0,0]=3 972 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [1,1,0,0,0,0|0,0,0]=2 973 B13R2.328 Nc1cc(cc2c1cccn2)O 271570a_203496583355_200010263263 [1,1,0,0,0,0|1,0,0]=3 974 B13R2.328 Nc1cc(cc2c1nccc2)O 271570a_203496583355_100009814519 [1,1,0,0,0,0|1,0,0]=3 975 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [1,1,0,0,0,0|1,0,0]=3 976 B13R2.328 Nc1cc2ccccc2c(n1)O 271570a_203496583355_100009814382 [1,1,0,0,0,0|2,0,0]=4 977 B13R2.328 Nc1nc(cc2c1cccc2)O 271570a_203496583355_100009957331 [1,1,0,0,0,0|1,0,0]=3 978 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [1,1,0,0,0,0|1,0,0]=3 979 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [1,1,0,0,0,0|1,0,1]=4 980 B13R2.328 O=c1cc(nc2n1cccc2)O 271570a_203496583355_100000707704 [1,1,0,0,0,0|2,0,0]=4 981 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [1,1,0,0,0,0|0,0,0]=2 982 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [1,1,0,0,0,0|0,0,0]=2 983 B13R2.328 Oc1cc(c2cnccc2c1)F 271570a_203496583355_100011068762 [1,1,0,0,0,0|1,0,0]=3 984 B13R2.328 Oc1cc(c2cnccc2c1)O 271570a_203496583355_100011009069 [1,1,0,0,0,0|1,0,0]=3 985 B13R2.328 Oc1cc(c2ncccc2c1)Cl 271570a_203496583355_200010369337 [1,1,0,0,0,0|1,0,0]=3 986 B13R2.328 Oc1cc(c2ncccc2c1)F 271570a_203496583355_100010234705 [1,1,0,0,0,0|1,0,0]=3 987 B13R2.328 Oc1cc(c2ncccc2c1)O 271570a_203496583355_100010248853 [1,1,0,0,0,0|1,0,0]=3 988 B13R2.328 Oc1cc(c2nccnc2c1)F 271570a_203496583355_100010079260 [1,1,0,0,0,0|2,0,0]=4 989 B13R2.328 Oc1cc(cc2c1nccc2)Br 271570a_203496583355_100010090713 [1,1,0,0,0,0|2,0,0]=4 990 B13R2.328 Oc1cc(cc2c1nccc2)F 271570a_203496583355_100010214460 [1,1,0,0,0,0|2,0,0]=4 991 B13R2.328 [O-][n+]1cc(c2ccccc2c1)O 271570a_203496583355_100009995557 [1,1,0,0,0,0|1,0,1]=4 992 B13R2.328 [O-][n+]1cc(cc2c1cccc2)O 271570a_203496583355_200010000521 [1,1,0,0,0,0|1,0,0]=3 993 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [1,1,0,0,0,0|1,0,0]=3 994 B13R2.369 Cc1cc2cccnc2nc1O 271570a_203496583355_100009877248 [1,1,0,0,0,0|2,0,0]=4 995 B13R2.369 Cc1cc2ncccc2cc1O 271570a_203496583355_100010137429 [1,1,0,0,0,0|1,0,0]=3 996 B13R2.369 Cc1cc2nccnc2cc1O 271570a_203496583355_100010080479 [1,1,0,0,0,0|2,0,0]=4 997 B13R2.369 Cc1nc2ccccc2nc1O 271570a_203496583355_100000185947 [1,1,0,0,0,0|2,0,0]=4 998 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [1,1,0,0,0,0|0,0,0]=2 999 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [1,1,0,0,0,0|1,0,0]=3 1000 B13R2.369 Nc1nc2ccccc2nc1O 271570a_203496583355_100000009970 [1,1,0,0,0,0|2,0,0]=4 1001 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [1,1,0,0,0,0|1,0,0]=3 1002 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [1,1,0,0,0,0|0,0,0]=2 1003 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [1,1,0,0,0,0|0,0,0]=2 1004 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [1,1,0,0,0,0|0,0,0]=2 1005 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [1,1,0,0,0,0|1,0,0]=3 1006 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [1,1,0,0,0,0|1,0,0]=3 1007 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [1,1,0,0,0,0|1,0,0]=3 1008 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [1,1,0,0,0,0|1,0,0]=3 1009 B13R2.369 Oc1cc2cccnc2cc1F 271570a_203496583355_100009854028 [1,1,0,0,0,0|1,0,0]=3 1010 B13R2.369 Oc1cc2cccnc2cc1O 271570a_203496583355_200010153759 [1,1,0,0,0,0|1,0,0]=3 1011 B13R2.369 Oc1cc2ccncc2cc1F 271570a_203496583355_100011105921 [1,1,0,0,0,0|1,0,0]=3 1012 B13R2.369 Oc1cc2cnccc2cc1F 271570a_203496583355_100010244713 [1,1,0,0,0,0|1,0,0]=3 1013 B13R2.369 Oc1cc2nccnc2cc1F 271570a_203496583355_100010080477 [1,1,0,0,0,0|2,0,0]=4 1014 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [1,1,0,0,0,0|1,0,0]=3 1015 B13R2.3683 C[n+]1ccc2cc(ccc2c1)O 271570a_203496583355_100015191232 [1,1,0,0,0,0|1,0,0]=3 1016 B13R2.3683 Cc1ccc2cc(ccc2n1)O 271570a_203496583355_100000686635 [1,1,0,0,0,0|1,0,0]=3 1017 B13R2.3683 Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100011865911 [1,1,0,0,0,0|1,0,0]=3 1018 B13R2.3683 Cc1ccc2nc(ccc2n1)O 271570a_203496583355_200009884078 [1,1,0,0,0,0|2,0,0]=4 1019 B13R2.3683 Cc1cnc2cc(ccc2c1)O 271570a_203496583355_100010751441 [1,1,0,0,0,0|1,0,0]=3 1020 B13R2.3683 Nc1cc2ccc(cc2cn1)O 271570a_203496583355_100010232990 [1,1,0,0,0,0|1,0,0]=3 1021 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [1,1,0,0,0,0|0,0,0]=2 1022 B13R2.3683 Nc1ccc2cc(ccc2n1)O 271570a_203496583355_100011934619 [1,1,0,0,0,0|1,0,0]=3 1023 B13R2.3683 Nc1ccc2cc(cnc2c1)O 271570a_203496583355_200010264087 [1,1,0,0,0,0|1,0,0]=3 1024 B13R2.3683 Nc1ccc2cc(cnc2n1)O 271570a_203496583355_100010214896 [1,1,0,0,0,0|2,0,0]=4 1025 B13R2.3683 Nc1ccc2nc(cnc2c1)O 271570a_203496583355_100009885871 [1,1,0,0,0,0|2,0,0]=4 1026 B13R2.3683 Nc1cnc2cc(ccc2c1)O 271570a_203496583355_100010142226 [1,1,0,0,0,0|1,0,0]=3 1027 B13R2.3683 Nc1ncc2cc(ccc2n1)O 271570a_203496583355_100010138702 [1,1,0,0,0,0|2,0,0]=4 1028 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [1,1,0,0,0,0|1,0,0]=3 1029 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [1,1,0,0,0,0|1,0,0]=3 1030 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [1,1,0,0,0,0|2,0,0]=4 1031 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [1,1,0,0,0,0|0,0,0]=2 1032 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [1,1,0,0,0,0|0,0,0]=2 1033 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [1,1,0,0,0,0|0,0,0]=2 1034 B13R2.3683 Oc1ccc2cc(ccc2n1)F 271570a_203496583355_100011998705 [1,1,0,0,0,0|1,0,0]=3 1035 B13R2.3683 Oc1ccc2cc(cnc2c1)Br 271570a_203496583355_200015509644 [1,1,0,0,0,0|1,0,0]=3 1036 B13R2.3683 Oc1ccc2cc(cnc2c1)F 271570a_203496583355_100010751466 [1,1,0,0,0,0|1,0,0]=3 1037 B13R2.3683 Oc1ccc2nc(ccc2c1)Cl 271570a_203496583355_200012034268 [1,1,0,0,0,0|1,0,0]=3 1038 B13R2.3683 Oc1ccc2nc(ccc2c1)O 271570a_203496583355_100009849208 [1,1,0,0,0,0|1,0,0]=3 1039 B13R2.3683 Oc1ccc2nc(cnc2c1)O 271570a_203496583355_200010664160 [1,1,0,0,0,0|2,0,0]=4 1040 B13R2.3683 Oc1cnc2cc(ccc2c1)Cl 271570a_203496583355_100015716233 [1,1,0,0,0,0|1,0,0]=3 1041 B13R2.3683 Oc1cnc2cc(ccc2c1)O 271570a_203496583355_200010153753 [1,1,0,0,0,0|1,0,0]=3 1042 B13R2.3683 Oc1cnc2cc(ccc2n1)F 271570a_203496583355_100000098432 [1,1,0,0,0,0|2,0,0]=4 1043 B13R2.3683 Oc1cnc2nc(ccc2c1)O 271570a_203496583355_100009814606 [1,1,0,0,0,0|2,0,0]=4 1044 B13R2.342 Cc1cccc2c1ccnc2O 271570a_203496583355_100012002547 [1,1,0,0,0,0|1,0,0]=3 1045 B13R2.342 Cc1cccc2c1nccc2O 271570a_203496583355_100000751276 [1,1,0,0,0,0|1,0,0]=3 1046 B13R2.342 Cc1cccc2c1ncnc2O 271570a_203496583355_100000751292 [1,1,0,0,0,0|2,0,0]=4 1047 B13R2.342 Cc1ccnc2c1cccc2O 271570a_203496583355_100010254272 [1,1,0,0,0,0|1,0,0]=3 1048 B13R2.342 Cc1ccnc2c1nccc2O 271570a_203496583355_200013369187 [1,1,0,0,0,0|2,0,0]=4 1049 B13R2.342 Cc1nccc2c1cccc2O 271570a_203496583355_100010137443 [1,1,0,0,0,0|1,0,0]=3 1050 B13R2.342 Nc1cccc2c1cccc2O 271570a_203496583355_100009816864 [1,1,0,0,0,0|0,0,0]=2 1051 B13R2.342 Nc1cccc2c1ccnc2O 271570a_203496583355_100000070072 [1,1,0,0,0,0|1,0,0]=3 1052 B13R2.342 Nc1cccc2c1nccc2O 271570a_203496583355_100009892510 [1,1,0,0,0,0|1,0,0]=3 1053 B13R2.342 Nc1ccnc2c1cccc2O 271570a_203496583355_100011620713 [1,1,0,0,0,0|1,0,0]=3 1054 B13R2.342 Nc1nccc2c1cccc2O 271570a_203496583355_103549770558 [1,1,0,0,0,0|1,0,0]=3 1055 B13R2.342 Nc1ncnc2c1cccc2O 271570a_203496583355_100010199759 [1,1,0,0,0,0|2,0,0]=4 1056 B13R2.342 O=c1[nH]ccc2c1cccc2O 271570a_203496583355_100000703947 [1,1,0,0,0,0|1,0,0]=3 1057 B13R2.342 O=c1cc[nH]c2c1cccc2O 271570a_203496583355_100000749886 [1,1,0,0,0,0|1,0,0]=3 1058 B13R2.342 Oc1cccc2c1cccc2F 271570a_203496583355_100009817034 [1,1,0,0,0,0|0,0,0]=2 1059 B13R2.342 Oc1cccc2c1cccc2O 271570a_203496583355_100010003857 [1,1,0,0,0,0|0,0,0]=2 1060 B13R2.342 Oc1cccc2c1ccnc2Cl 271570a_203496583355_100010080171 [1,1,0,0,0,0|1,0,0]=3 1061 B13R2.342 Oc1ccnc2c1cccc2F 271570a_203496583355_100011934723 [1,1,0,0,0,0|1,0,0]=3 1062 B13R2.342 Oc1ccnc2c1cccc2O 271570a_203496583355_100000703299 [1,1,0,0,0,0|1,0,0]=3 1063 B13R2.342 Oc1cncc2c1cccc2F 271570a_203496583355_100010740057 [1,1,0,0,0,0|1,0,0]=3 1064 B13R2.342 Oc1nccc2c1cccc2F 271570a_203496583355_100012180906 [1,1,0,0,0,0|1,0,0]=3 1065 B13R2.342 Oc1ncnc2c1cccc2F 271570a_203496583355_100000693626 [1,1,0,0,0,0|2,0,0]=4 1066 B13R2.342 Oc1ncnc2c1cccc2O 271570a_203496583355_100010201916 [1,1,0,0,0,0|2,0,0]=4 1067 B13R2.371 Cc1ccc(c2c1cccc2)O 271570a_203496583355_100011215156 [1,1,0,0,0,0|0,0,0]=2 1068 B13R2.371 Cc1ccc(c2c1nccc2)O 271570a_203496583355_100000694312 [1,1,0,0,0,0|1,0,0]=3 1069 B13R2.371 Cc1cnc(c2c1cccc2)O 271570a_203496583355_100000112005 [1,1,0,0,0,0|1,0,0]=3 1070 B13R2.371 Cc1ncc(c2c1cccc2)O 271570a_203496583355_100010239772 [1,1,0,0,0,0|1,0,0]=3 1071 B13R2.371 Cc1nnc(c2c1cccc2)O 271570a_203496583355_100000189618 [1,1,0,0,0,0|2,0,0]=4 1072 B13R2.371 Nc1ccc(c2c1cccc2)O 271570a_203496583355_100000766797 [1,1,0,0,0,0|0,0,0]=2 1073 B13R2.371 Nc1ccc(c2c1cccn2)O 271570a_203496583355_100012360041 [1,1,0,0,0,0|1,0,0]=3 1074 B13R2.371 Nc1ccc(c2c1ccnc2)O 271570a_203496583355_200012344021 [1,1,0,0,0,0|1,0,0]=3 1075 B13R2.371 Nc1ccc(c2c1cncc2)O 271570a_203496583355_100011218454 [1,1,0,0,0,0|1,0,0]=3 1076 B13R2.371 Nc1ccc(c2c1nccc2)O 271570a_203496583355_100000726955 [1,1,0,0,0,0|1,0,0]=3 1077 B13R2.371 Nc1cnc(c2c1cccc2)O 271570a_203496583355_200009868590 [1,1,0,0,0,0|1,0,0]=3 1078 B13R2.371 Nc1ncc(c2c1cccc2)O 271570a_203496583355_100010158575 [1,1,0,0,0,0|1,0,0]=3 1079 B13R2.371 Nc1ncc(c2c1cccn2)O 271570a_203496583355_100010383929 [1,1,0,0,0,0|2,0,0]=4 1080 B13R2.371 O=c1[nH]cc(c2c1cncc2)O 271570a_203496583355_100010090797 [1,1,0,0,0,0|2,0,0]=4 1081 B13R2.371 O=c1[nH]nc(c2c1cccc2)O 271570a_203496583355_100010235092 [1,1,0,0,0,0|2,0,0]=4 1082 B13R2.371 Oc1ccc(c2c1cccc2)Br 271570a_203496583355_100012339872 [1,1,0,0,0,0|0,0,0]=2 1083 B13R2.371 Oc1ccc(c2c1cccc2)F 271570a_203496583355_100011218216 [1,1,0,0,0,0|0,0,0]=2 1084 B13R2.371 Oc1ccc(c2c1cccc2)O 271570a_203496583355_100000186334 [1,1,0,0,0,0|0,0,0]=2 1085 B13R2.371 Oc1ccc(c2c1cccn2)F 271570a_203496583355_100010245834 [1,1,0,0,0,0|1,0,0]=3 1086 B13R2.371 Oc1ccc(c2c1cccn2)O 271570a_203496583355_100011934063 [1,1,0,0,0,0|1,0,0]=3 1087 B13R2.371 Oc1ccc(c2c1ccnc2)F 271570a_203496583355_100000698020 [1,1,0,0,0,0|1,0,0]=3 1088 B13R2.371 Oc1ccc(c2c1cncc2)F 271570a_203496583355_100010244717 [1,1,0,0,0,0|1,0,0]=3 1089 B13R2.371 Oc1ccc(c2c1nccc2)F 271570a_203496583355_100010214461 [1,1,0,0,0,0|1,0,0]=3 1090 B13R2.371 Oc1cnc(c2c1cccc2)O 271570a_203496583355_100000067196 [1,1,0,0,0,0|1,0,0]=3 1091 B13R2.371 Oc1cnc(c2c1cccc2)O 271570a_203496583355_100009816523 [1,1,0,0,0,0|1,0,0]=3 1092 B13R2.371 [O-][n+]1ccc(c2c1cccc2)O 271570a_203496583355_100020656173 [1,1,0,0,0,0|1,0,0]=3 1093 B13R2.1613 C=Cc1cccc2c1cccc2 271570a_100011290941_100000210605 [1,1,0,0,0,0|1,0,0]=3 1094 B13R2.1613 C=Cc1cccc2c1cccn2 271570a_100011290941_100011290932 [1,1,0,0,0,0|2,0,0]=4 1095 B13R2.1613 C=Cc1cccc2c1ccnc2 271570a_100011290941_100000186358 [1,1,0,0,0,0|2,0,0]=4 1096 B13R2.1613 C=Cc1cccc2c1cncc2 271570a_100011290941_100000685578 [1,1,0,0,0,0|2,0,0]=4 1097 B13R2.1613 C=Cc1cccc2c1nccc2 271570a_100011290941_100011215545 [1,1,0,0,0,0|2,0,0]=4 1098 B13R2.1613 C=Cc1ccnc2c1cccc2 271570a_100011290941_100011215880 [1,1,0,0,0,0|2,0,0]=4 1099 B13R2.1613 C=Cc1cncc2c1cccc2 271570a_100011290941_100000187577 [1,1,0,0,0,0|2,0,0]=4 1100 B13R2.1613 C=Cc1nccc2c1cccc2 271570a_100011290941_100011934041 [1,1,0,0,0,0|2,0,0]=4 1101 B13R2.1613 CNc1cccc2c1cccc2 34a_100000185869_200000210301 [1,1,0,0,0,0|1,0,0]=3 1102 B13R2.1613 CNc1cccc2c1cccn2 27a_100102657272_100011290932 [1,1,0,0,0,0|2,0,0]=4 1103 B13R2.1613 CNc1cccc2c1cccn2 34a_100000183906_200000210301 [1,1,0,0,0,0|2,0,0]=4 1104 B13R2.1613 CNc1cccc2c1nccc2 34a_100000181377_200000210301 [1,1,0,0,0,0|2,0,0]=4 1105 B13R2.1613 CNc1ccnc2c1cccc2 27a_100102657272_100011215880 [1,1,0,0,0,0|2,0,0]=4 1106 B13R2.1613 CNc1nccc2c1cccc2 27a_100102657272_100011934041 [1,1,0,0,0,0|2,0,0]=4 1107 B13R2.1613 COc1cccc2c1CC=CC2 34a_100000074931_200000210301 [1,1,0,0,0,0|0,0,2]=4 1108 B13R2.1613 COc1cccc2c1CC=CC2 7a_100000074931_200000210301 [1,1,0,0,0,0|0,0,2]=4 1109 B13R2.1613 COc1cccc2c1cccc2 34a_100000210388_200000210301 [1,1,0,0,0,0|0,0,0]=2 1110 B13R2.1613 COc1cccc2c1cccc2 7a_100000210388_200000210301 [1,1,0,0,0,0|0,0,0]=2 1111 B13R2.1613 COc1cccc2c1cccn2 34a_100011197808_200000210301 [1,1,0,0,0,0|1,0,0]=3 1112 B13R2.1613 COc1cccc2c1ccnc2 34a_100011218533_200000210301 [1,1,0,0,0,0|1,0,0]=3 1113 B13R2.1613 COc1cccc2c1cncc2 34a_103624766955_200000210301 [1,1,0,0,0,0|1,0,0]=3 1114 B13R2.1613 COc1cccc2c1nccc2 34a_100000056035_200000210301 [1,1,0,0,0,0|1,0,0]=3 1115 B13R2.1613 COc1cccc2c1nccn2 34a_100000077048_200000210301 [1,1,0,0,0,0|2,0,0]=4 1116 B13R2.1613 COc1cccc2c1ncnc2 34a_200000077003_200000210301 [1,1,0,0,0,0|2,0,0]=4 1117 B13R2.1613 COc1cncc2c1cccc2 34a_100000066178_200000210301 [1,1,0,0,0,0|1,0,0]=3 1118 B13R2.1613 COc1cncc2c1cccc2 7a_100000066178_200000210301 [1,1,0,0,0,0|1,0,0]=3 1119 B13R2.1613 COc1nccc2c1cccc2 34a_102531767632_200000210301 [1,1,0,0,0,0|1,0,0]=3 1120 B13R2.1613 CSc1cccc2c1cccc2 62a_200000210301_100000210605 [1,1,0,0,0,0|0,1,0]=3 1121 B13R2.1613 CSc1cccc2c1cccn2 62a_100011290932_200000210301 [1,1,0,0,0,0|1,1,0]=4 1122 B13R2.1613 CSc1cccc2c1cccn2 62a_200000210301_100011290932 [1,1,0,0,0,0|1,1,0]=4 1123 B13R2.1613 CSc1cccc2c1ccnc2 62a_100000186358_200000210301 [1,1,0,0,0,0|1,1,0]=4 1124 B13R2.1613 CSc1cccc2c1ccnc2 62a_200000210301_100000186358 [1,1,0,0,0,0|1,1,0]=4 1125 B13R2.1613 CSc1cccc2c1cncc2 62a_100000685578_200000210301 [1,1,0,0,0,0|1,1,0]=4 1126 B13R2.1613 CSc1cccc2c1cncc2 62a_200000210301_100000685578 [1,1,0,0,0,0|1,1,0]=4 1127 B13R2.1613 CSc1cccc2c1nccc2 62a_200000210301_100011215545 [1,1,0,0,0,0|1,1,0]=4 1128 B13R2.1613 CSc1ccnc2c1cccc2 62a_100011458314_200000210301 [1,1,0,0,0,0|1,1,0]=4 1129 B13R2.1613 CSc1ccnc2c1cccc2 62a_200000210301_100011215880 [1,1,0,0,0,0|1,1,0]=4 1130 B13R2.1613 CSc1cncc2c1cccc2 62a_100000187577_200000210301 [1,1,0,0,0,0|1,1,0]=4 1131 B13R2.1613 CSc1cncc2c1cccc2 62a_200000210301_100000187577 [1,1,0,0,0,0|1,1,0]=4 1132 B13R2.1613 CSc1nccc2c1cccc2 62a_100011934041_200000210301 [1,1,0,0,0,0|1,1,0]=4 1133 B13R2.1613 CSc1nccc2c1cccc2 62a_200000210301_100011934041 [1,1,0,0,0,0|1,1,0]=4 1134 B13R2.1613 [13CH3]Nc1cccc2c1cccc2 34a_100000185869_200025704644 [1,1,0,0,0,0|1,0,0]=3 1135 B13R2.1613 [13CH3]Nc1cccc2c1cccn2 34a_100000183906_200025704644 [1,1,0,0,0,0|2,0,0]=4 1136 B13R2.1613 [13CH3]Nc1cccc2c1nccc2 34a_100000181377_200025704644 [1,1,0,0,0,0|2,0,0]=4 1137 B13R2.1613 [13CH3]Oc1cccc2c1CC=CC2 34a_100000074931_200025704644 [1,1,0,0,0,0|0,0,2]=4 1138 B13R2.1613 [13CH3]Oc1cccc2c1CC=CC2 7a_100000074931_200025704644 [1,1,0,0,0,0|0,0,2]=4 1139 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 34a_100000210388_200025704644 [1,1,0,0,0,0|0,0,0]=2 1140 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 7a_100000210388_200025704644 [1,1,0,0,0,0|0,0,0]=2 1141 B13R2.1613 [13CH3]Oc1cccc2c1cccn2 34a_100011197808_200025704644 [1,1,0,0,0,0|1,0,0]=3 1142 B13R2.1613 [13CH3]Oc1cccc2c1ccnc2 34a_100011218533_200025704644 [1,1,0,0,0,0|1,0,0]=3 1143 B13R2.1613 [13CH3]Oc1cccc2c1cncc2 34a_103624766955_200025704644 [1,1,0,0,0,0|1,0,0]=3 1144 B13R2.1613 [13CH3]Oc1cccc2c1nccc2 34a_100000056035_200025704644 [1,1,0,0,0,0|1,0,0]=3 1145 B13R2.1613 [13CH3]Oc1cccc2c1nccn2 34a_100000077048_200025704644 [1,1,0,0,0,0|2,0,0]=4 1146 B13R2.1613 [13CH3]Oc1cccc2c1ncnc2 34a_200000077003_200025704644 [1,1,0,0,0,0|2,0,0]=4 1147 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 34a_100000066178_200025704644 [1,1,0,0,0,0|1,0,0]=3 1148 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 7a_100000066178_200025704644 [1,1,0,0,0,0|1,0,0]=3 1149 B13R2.1613 [13CH3]Oc1nccc2c1cccc2 34a_102531767632_200025704644 [1,1,0,0,0,0|1,0,0]=3 1150 B13R2.1613 [13CH3]Sc1cccc2c1cccc2 62a_200025704644_100000210605 [1,1,0,0,0,0|0,1,0]=3 1151 B13R2.1613 [13CH3]Sc1cccc2c1cccn2 62a_100011290932_200025704644 [1,1,0,0,0,0|1,1,0]=4 1152 B13R2.1613 [13CH3]Sc1cccc2c1cccn2 62a_200025704644_100011290932 [1,1,0,0,0,0|1,1,0]=4 1153 B13R2.1613 [13CH3]Sc1cccc2c1ccnc2 62a_100000186358_200025704644 [1,1,0,0,0,0|1,1,0]=4 1154 B13R2.1613 [13CH3]Sc1cccc2c1ccnc2 62a_200025704644_100000186358 [1,1,0,0,0,0|1,1,0]=4 1155 B13R2.1613 [13CH3]Sc1cccc2c1cncc2 62a_100000685578_200025704644 [1,1,0,0,0,0|1,1,0]=4 1156 B13R2.1613 [13CH3]Sc1cccc2c1cncc2 62a_200025704644_100000685578 [1,1,0,0,0,0|1,1,0]=4 1157 B13R2.1613 [13CH3]Sc1cccc2c1nccc2 62a_200025704644_100011215545 [1,1,0,0,0,0|1,1,0]=4 1158 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_100011458314_200025704644 [1,1,0,0,0,0|1,1,0]=4 1159 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_200025704644_100011215880 [1,1,0,0,0,0|1,1,0]=4 1160 B13R2.1613 [13CH3]Sc1cncc2c1cccc2 62a_100000187577_200025704644 [1,1,0,0,0,0|1,1,0]=4 1161 B13R2.1613 [13CH3]Sc1cncc2c1cccc2 62a_200025704644_100000187577 [1,1,0,0,0,0|1,1,0]=4 1162 B13R2.1613 [13CH3]Sc1nccc2c1cccc2 62a_100011934041_200025704644 [1,1,0,0,0,0|1,1,0]=4 1163 B13R2.1613 [13CH3]Sc1nccc2c1cccc2 62a_200025704644_100011934041 [1,1,0,0,0,0|1,1,0]=4 1164 B13R2.4818 Cc1cccc2c1c(ccc2)O 271570a_203496583355_100009995290 [1,1,0,0,0,0|0,0,0]=2 1165 B13R2.4818 Cc1cncc2c1c(ccc2)O 271570a_203496583355_100009817140 [1,1,0,0,0,0|1,0,0]=3 1166 B13R2.4818 Nc1cccc2c1c(ccc2)O 271570a_203496583355_100010002837 [1,1,0,0,0,0|0,0,0]=2 1167 B13R2.4818 Nc1cccc2c1c(ccn2)O 271570a_203496583355_100010263589 [1,1,0,0,0,0|1,0,0]=3 1168 B13R2.4818 Nc1cccc2c1c(cnc2)O 271570a_203496583355_100000720362 [1,1,0,0,0,0|1,0,0]=3 1169 B13R2.4818 Nc1nccc2c1c(ccc2)O 271570a_203496583355_100010291105 [1,1,0,0,0,0|1,0,0]=3 1170 B13R2.4818 Nc1ncnc2c1c(ccc2)O 271570a_203496583355_100010171649 [1,1,0,0,0,0|2,0,0]=4 1171 B13R2.4818 O=c1[nH]cnc2c1c(ccc2)O 271570a_203496583355_100000696754 [1,1,0,0,0,0|2,0,0]=4 1172 B13R2.4818 Oc1cccc2c1c(ccc2)Br 271570a_203496583355_100010243825 [1,1,0,0,0,0|0,0,0]=2 1173 B13R2.4818 Oc1cccc2c1c(ccc2)F 271570a_203496583355_100010177852 [1,1,0,0,0,0|0,0,0]=2 1174 B13R2.4818 Oc1cccc2c1c(ccc2)O 271570a_203496583355_100010089961 [1,1,0,0,0,0|0,0,0]=2 1175 B13R2.4818 Oc1cccc2c1c(ccn2)O 271570a_203496583355_100010187735 [1,1,0,0,0,0|1,0,0]=3 1176 B13R2.4818 Oc1cccc2c1c(ncc2)O 271570a_203496583355_100010162479 [1,1,0,0,0,0|1,0,0]=3 1177 B13R2.4818 Oc1ncnc2c1c(ccc2)F 271570a_203496583355_100000743342 [1,1,0,0,0,0|2,0,0]=4 1178 B13R2.573 COc1cccc2c1[nH]nc2O 271570a_203496583355_100010231496 [0,1,0,0,1,0|2,0,0]=4 1179 B13R2.573 COc1cccc2c1ccn2C 34a_100000094269_200000210301 [0,1,0,0,1,0|2,0,0]=4 1180 B13R2.573 COc1nccc2c1[nH]cc2O 271570a_203496583355_100010168644 [0,1,0,0,1,0|2,0,0]=4 1181 B13R2.573 Cn1ccc2c1cccc2O[13CH3] 34a_100000094269_200025704644 [0,1,0,0,1,0|2,0,0]=4 1182 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,0,1,0|1,0,1]=4 1183 B13R2.4857 O=C1NC(=O)c2c1cccc2O 271570a_203496583355_100010194295 [0,1,0,0,1,0|1,0,1]=4 1184 B13R2.4857 O=C1OC(=O)c2c1cccc2O 271570a_203496583355_100010195870 [0,1,0,0,1,0|1,0,1]=4 1185 B13R2.54 N#Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010174851 [0,1,0,0,1,0|2,0,0]=4 1186 B13R2.54 O=Cc1cc2c(cccc2s1)O 271570a_203496583355_100010109917 [0,1,0,0,1,0|1,0,1]=4 1187 B13R2.54 O=Cc1cc2cccc(c2s1)O 271570a_203496583355_100010110135 [0,1,0,0,1,0|1,0,1]=4 1188 B13R2.54 OCc1cc2c(cncc2s1)O 271570a_203496583355_200010168114 [0,1,0,0,1,0|2,0,0]=4 1189 B13R2.54 OCc1cc2cccc(c2s1)O 271570a_203496583355_100010255382 [0,1,0,0,1,0|1,0,0]=3 1190 B13R2.581 COc1cccc2c1cc([nH]2)C 34a_200000059750_200000210301 [0,1,0,0,1,0|2,0,0]=4 1191 B13R2.581 COc1cccc2c1nc(s2)O 271570a_203496583355_100010195968 [0,1,0,0,1,0|2,0,0]=4 1192 B13R2.581 Cc1cc2c(cccc2[nH]1)O[13CH3] 34a_200000059750_200025704644 [0,1,0,0,1,0|2,0,0]=4 1193 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,0,1,0|1,0,1]=4 1194 B13R2.662 CCn1ccc2c1ccc(c2)O 271570a_203496583355_200012349192 [0,1,0,0,1,0|2,0,0]=4 1195 B13R2.662 COc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100010742842 [0,1,0,0,1,0|2,0,0]=4 1196 B13R2.662 N#Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100012359395 [0,1,0,0,1,0|2,0,0]=4 1197 B13R2.662 OCc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100010177469 [0,1,0,0,1,0|2,0,0]=4 1198 B13R2.2130 C=Cc1ccc2c(c1)C=CC2=O 271570a_100011290941_100010210589 [0,1,0,0,1,0|1,0,1]=4 1199 B13R2.2130 COc1cc2[nH]cc(c2cn1)O 271570a_203496583355_200010168631 [0,1,0,0,1,0|2,0,0]=4 1200 B13R2.2130 COc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100000049672 [0,1,0,0,1,0|2,0,0]=4 1201 B13R2.2130 COc1ccn2c(cnc2c1)O 271570a_203496583355_100010231830 [0,1,0,0,1,0|2,0,0]=4 1202 B13R2.2130 COc1cnc2c(c[nH]c2c1)O 271570a_203496583355_200010168573 [0,1,0,0,1,0|2,0,0]=4 1203 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_100010210589_200000210301 [0,1,0,0,1,0|0,1,1]=4 1204 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_200000210301_100010210589 [0,1,0,0,1,0|0,1,1]=4 1205 B13R2.2130 N#Cc1ccc2c(c[nH]c2c1)O 271570a_203496583355_200014310816 [0,1,0,0,1,0|2,0,0]=4 1206 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_100010210589_200025704644 [0,1,0,0,1,0|0,1,1]=4 1207 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_200025704644_100010210589 [0,1,0,0,1,0|0,1,1]=4 1208 B13R2.5187 O=C1CC(=O)c2c1ccc(c2)O 271570a_203496583355_100009997049 [0,1,0,0,1,0|0,0,2]=4 1209 B13R2.5187 O=C1NC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185758 [0,1,0,0,1,0|1,0,1]=4 1210 B13R2.5187 O=C1OC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185860 [0,1,0,0,1,0|1,0,1]=4 1211 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,0,1,0|1,0,1]=4 1212 B15R2.384 C=C(C)c1cccc2c1cnc(c2)O 271570a_100000694244_100009817091 [0,2,0,0,0,0|2,0,0]=4 1213 B15R2.384 C=C(C)c1ccnc2c1ccc(c2)O 271570a_100000694244_100000045489 [0,2,0,0,0,0|2,0,0]=4 1214 B15R2.384 C=C(C)c1nccc2c1ccc(c2)O 271570a_100000694244_100009867704 [0,2,0,0,0,0|2,0,0]=4 1215 B15R2.384 CC(=O)c1cccc2c1ccc(c2)F 1458a_200000098428_200000210301 [0,2,0,0,0,0|1,0,1]=4 1216 B15R2.384 CC(=O)c1cccc2c1ccc(c2)O 1458a_100000042678_200000210301 [0,2,0,0,0,0|0,0,1]=3 1217 B15R2.384 CC(=O)c1cccc2c1ccc(n2)O 1458a_100012002957_200000210301 [0,2,0,0,0,0|1,0,1]=4 1218 B15R2.384 CC(O)c1nccc2c1ccc(c2)O 271570a_203496583355_200020640139 [0,2,0,0,0,0|1,0,0]=3 1219 B15R2.384 CN(C)c1ccnc2c1ccc(c2)O 27a_100102631434_100000045489 [0,2,0,0,0,0|2,0,0]=4 1220 B15R2.384 [13CH3]C(=O)c1cccc2c1ccc(c2)F 1458a_200000098428_200025704644 [0,2,0,0,0,0|1,0,1]=4 1221 B15R2.384 [13CH3]C(=O)c1cccc2c1ccc(c2)O 1458a_100000042678_200025704644 [0,2,0,0,0,0|0,0,1]=3 1222 B15R2.384 [13CH3]C(=O)c1cccc2c1ccc(n2)O 1458a_100012002957_200025704644 [0,2,0,0,0,0|1,0,1]=4 1223 B15R2.795 C=C=Cc1cccc2c1cnc(c2)O 271570a_100015277604_100009817091 [0,2,0,0,0,0|2,0,0]=4 1224 B15R2.795 C=C=Cc1ccnc2c1ccc(c2)O 271570a_100015277604_100000045489 [0,2,0,0,0,0|2,0,0]=4 1225 B15R2.795 C=C=Cc1nccc2c1ccc(c2)O 271570a_100015277604_100009867704 [0,2,0,0,0,0|2,0,0]=4 1226 B15R2.795 CC=Cc1cccc2c1cnc(c2)O 271570a_100016259895_100009817091 [0,2,0,0,0,0|2,0,0]=4 1227 B15R2.795 CC=Cc1ccnc2c1ccc(c2)O 271570a_100016259895_100000045489 [0,2,0,0,0,0|2,0,0]=4 1228 B15R2.795 CC=Cc1nccc2c1ccc(c2)O 271570a_100016259895_100009867704 [0,2,0,0,0,0|2,0,0]=4 1229 B15R2.795 CCNc1cccc2c1ccc(c2)Br 34a_100010090037_100000210202 [0,2,0,0,0,0|2,0,0]=4 1230 B15R2.795 CCNc1cccc2c1ccc(c2)O 34a_100000034668_100000210202 [0,2,0,0,0,0|1,0,0]=3 1231 B15R2.795 CCNc1ccnc2c1ccc(c2)O 27a_100015525214_100000045489 [0,2,0,0,0,0|2,0,0]=4 1232 B15R2.795 CCOc1cccc2c1ccc(c2)Br 34a_100010202202_100000210202 [0,2,0,0,0,0|1,0,0]=3 1233 B15R2.795 CCOc1cccc2c1ccc(c2)Br 7a_100010202202_100000210202 [0,2,0,0,0,0|1,0,0]=3 1234 B15R2.795 CCOc1cccc2c1ccc(c2)F 34a_100009846233_100000210202 [0,2,0,0,0,0|1,0,0]=3 1235 B15R2.795 CCOc1cccc2c1ccc(c2)F 7a_100009846233_100000210202 [0,2,0,0,0,0|1,0,0]=3 1236 B15R2.795 CCOc1cccc2c1ccc(c2)N 34a_100000035793_100000210202 [0,2,0,0,0,0|1,0,0]=3 1237 B15R2.795 CCOc1cccc2c1ncc(c2)C 34a_100000144662_100000210202 [0,2,0,0,0,0|2,0,0]=4 1238 B15R2.795 CCOc1cccc2c1ncc(c2)C 7a_100000144662_100000210202 [0,2,0,0,0,0|2,0,0]=4 1239 B15R2.795 CCOc1cccc2c1ncc(c2)Cl 34a_100009858588_100000210202 [0,2,0,0,0,0|2,0,0]=4 1240 B15R2.795 CCOc1cccc2c1ncc(c2)Cl 7a_100009858588_100000210202 [0,2,0,0,0,0|2,0,0]=4 1241 B15R2.795 CCOc1ccnc2c1ccc(c2)Cl 34a_100011215206_100000210202 [0,2,0,0,0,0|2,0,0]=4 1242 B15R2.795 CCOc1ccnc2c1ccc(c2)F 34a_100000004115_100000210202 [0,2,0,0,0,0|2,0,0]=4 1243 B15R2.795 CCOc1nccc2c1ccc(c2)Br 34a_100000760485_100000210202 [0,2,0,0,0,0|2,0,0]=4 1244 B15R2.795 CCSc1cccc2c1cnc(c2)O 62a_100000210202_100009817091 [0,2,0,0,0,0|1,1,0]=4 1245 B15R2.795 CCSc1ccnc2c1ccc(c2)O 62a_100000210202_100000045489 [0,2,0,0,0,0|1,1,0]=4 1246 B15R2.795 CCSc1nccc2c1ccc(c2)O 62a_100000210202_100009867704 [0,2,0,0,0,0|1,1,0]=4 1247 B15R2.795 CNCc1cccc2c1ccc(c2)Br 26a_100102657272_100010202202 [0,2,0,0,0,0|2,0,0]=4 1248 B15R2.795 Cc1cnc2c(cccc2c1)OCF 34a_100000144662_100015361967 [0,2,0,0,0,0|2,0,0]=4 1249 B15R2.795 Cc1cnc2c(cccc2c1)OCF 7a_100000144662_100015361967 [0,2,0,0,0,0|2,0,0]=4 1250 B15R2.795 FCNc1cccc2c1ccc(c2)Br 34a_100010090037_100015361967 [0,2,0,0,0,0|2,0,0]=4 1251 B15R2.795 FCOc1cccc2c1ccc(c2)Br 34a_100010202202_100015361967 [0,2,0,0,0,0|1,0,0]=3 1252 B15R2.795 FCOc1cccc2c1ccc(c2)Br 7a_100010202202_100015361967 [0,2,0,0,0,0|1,0,0]=3 1253 B15R2.795 FCOc1cccc2c1ccc(c2)F 34a_100009846233_100015361967 [0,2,0,0,0,0|1,0,0]=3 1254 B15R2.795 FCOc1cccc2c1ccc(c2)F 7a_100009846233_100015361967 [0,2,0,0,0,0|1,0,0]=3 1255 B15R2.795 FCOc1cccc2c1ncc(c2)Cl 34a_100009858588_100015361967 [0,2,0,0,0,0|2,0,0]=4 1256 B15R2.795 FCOc1cccc2c1ncc(c2)Cl 7a_100009858588_100015361967 [0,2,0,0,0,0|2,0,0]=4 1257 B15R2.795 FCOc1ccnc2c1ccc(c2)Cl 34a_100011215206_100015361967 [0,2,0,0,0,0|2,0,0]=4 1258 B15R2.795 FCOc1ccnc2c1ccc(c2)F 34a_100000004115_100015361967 [0,2,0,0,0,0|2,0,0]=4 1259 B15R2.795 FCOc1nccc2c1ccc(c2)Br 34a_100000760485_100015361967 [0,2,0,0,0,0|2,0,0]=4 1260 B15R2.795 Nc1ccc2c(cccc2c1)OCF 34a_100000035793_100015361967 [0,2,0,0,0,0|1,0,0]=3 1261 B15R2.795 Oc1cc2cccc(c2cn1)SCF 62a_100015361967_100009817091 [0,2,0,0,0,0|1,1,0]=4 1262 B15R2.795 Oc1ccc2c(cccc2c1)NCF 34a_100000034668_100015361967 [0,2,0,0,0,0|1,0,0]=3 1263 B15R2.795 Oc1ccc2c(ccnc2c1)SCF 62a_100015361967_100000045489 [0,2,0,0,0,0|1,1,0]=4 1264 B15R2.795 Oc1ccc2c(nccc2c1)SCF 62a_100015361967_100009867704 [0,2,0,0,0,0|1,1,0]=4 1265 B15R2.2310 C=Cc1ccc2c(cccc2n1)OC 271570a_100011290941_100010382897 [0,2,0,0,0,0|2,0,0]=4 1266 B15R2.2310 C=Cc1ccc2c(ccnc2c1)OC 271570a_100011290941_100010204255 [0,2,0,0,0,0|2,0,0]=4 1267 B15R2.2310 C=Cc1cccc2c1ccc(c2)C#N 271570a_100011290941_100010090035 [0,2,0,0,0,0|2,0,0]=4 1268 B15R2.2310 C=Cc1cccc2c1ccc(c2)OC 271570a_100011290941_100010151670 [0,2,0,0,0,0|1,0,0]=3 1269 B15R2.2310 C=Cc1ccnc2c1ccc(c2)OC 271570a_100011290941_100000045488 [0,2,0,0,0,0|2,0,0]=4 1270 B15R2.2310 C=Cc1nccc2c1ccc(c2)OC 271570a_100011290941_100000084302 [0,2,0,0,0,0|2,0,0]=4 1271 B15R2.2310 CNc1ccc2c(cccc2n1)OC 27a_100102657272_100010382897 [0,2,0,0,0,0|2,0,0]=4 1272 B15R2.2310 CNc1ccnc2c1ccc(c2)OC 27a_100102657272_100000045488 [0,2,0,0,0,0|2,0,0]=4 1273 B15R2.2310 CNc1nccc2c1ccc(c2)OC 27a_100102657272_100000084302 [0,2,0,0,0,0|2,0,0]=4 1274 B15R2.2310 COc1ccc2c(cccc2c1)OC 34a_100000080647_200000210301 [0,2,0,0,0,0|0,0,0]=2 1275 B15R2.2310 COc1ccc2c(cccc2c1)OC 7a_100000080647_200000210301 [0,2,0,0,0,0|0,0,0]=2 1276 B15R2.2310 COc1ccc2c(cccc2c1)O[13CH3] 34a_100000080647_200025704644 [0,2,0,0,0,0|0,0,0]=2 1277 B15R2.2310 COc1ccc2c(cccc2c1)O[13CH3] 7a_100000080647_200025704644 [0,2,0,0,0,0|0,0,0]=2 1278 B15R2.2310 COc1ccc2c(cccc2c1)SC 62a_200000210301_100010151670 [0,2,0,0,0,0|0,1,0]=3 1279 B15R2.2310 COc1ccc2c(cccc2c1)S[13CH3] 62a_200025704644_100010151670 [0,2,0,0,0,0|0,1,0]=3 1280 B15R2.2310 COc1ccc2c(ccnc2c1)SC 62a_200000210301_100000045488 [0,2,0,0,0,0|1,1,0]=4 1281 B15R2.2310 COc1ccc2c(ccnc2c1)S[13CH3] 62a_200025704644_100000045488 [0,2,0,0,0,0|1,1,0]=4 1282 B15R2.2310 COc1ccc2c(nccc2c1)OC 34a_100012180743_200000210301 [0,2,0,0,0,0|1,0,0]=3 1283 B15R2.2310 COc1ccc2c(nccc2c1)O[13CH3] 34a_100012180743_200025704644 [0,2,0,0,0,0|1,0,0]=3 1284 B15R2.2310 COc1ccc2c(nccc2c1)SC 62a_200000210301_100000084302 [0,2,0,0,0,0|1,1,0]=4 1285 B15R2.2310 COc1ccc2c(nccc2c1)S[13CH3] 62a_200025704644_100000084302 [0,2,0,0,0,0|1,1,0]=4 1286 B15R2.2310 COc1cccc2c1ccc(n2)C#N 7a_100009841945_200000210301 [0,2,0,0,0,0|2,0,0]=4 1287 B15R2.2310 COc1ccnc2c1ccc(c2)SC 62a_200000210301_100010204255 [0,2,0,0,0,0|1,1,0]=4 1288 B15R2.2310 COc1ccnc2c1ccc(c2)S[13CH3] 62a_200025704644_100010204255 [0,2,0,0,0,0|1,1,0]=4 1289 B15R2.2310 CSc1cccc2c1ccc(c2)C#N 62a_200000210301_100010090035 [0,2,0,0,0,0|1,1,0]=4 1290 B15R2.2310 [13CH3]Oc1cccc2c1ccc(n2)C#N 7a_100009841945_200025704644 [0,2,0,0,0,0|2,0,0]=4 1291 B15R2.2310 [13CH3]Sc1cccc2c1ccc(c2)C#N 62a_200025704644_100010090035 [0,2,0,0,0,0|1,1,0]=4 1292 B15R2.20926 COc1ccnc2c1ccc(c2C)Cl 34a_200011310538_200000210301 [0,2,0,0,0,0|2,0,0]=4 1293 B15R2.20926 COc1ccnc2c1ccc(c2Cl)F 34a_100011066903_200000210301 [0,2,0,0,0,0|2,0,0]=4 1294 B15R2.20926 COc1ccnc2c1ccc(c2F)F 34a_200011410141_200000210301 [0,2,0,0,0,0|2,0,0]=4 1295 B15R2.20926 Cc1c(ccc2c1nccc2O[13CH3])Cl 34a_200011310538_200025704644 [0,2,0,0,0,0|2,0,0]=4 1296 B15R2.20926 [13CH3]Oc1ccnc2c1ccc(c2Cl)F 34a_100011066903_200025704644 [0,2,0,0,0,0|2,0,0]=4 1297 B15R2.20926 [13CH3]Oc1ccnc2c1ccc(c2F)F 34a_200011410141_200025704644 [0,2,0,0,0,0|2,0,0]=4 1298 B15R2.22226 N#Cc1cc[n+](c2c1ccc(c2)O)[O-] 271570a_203496583355_103439469254 [0,2,0,0,0,0|2,0,0]=4 1299 B15R2.22666 COc1cc(=O)oc2c1ccc(c2)Br 7a_100010062223_200000210301 [0,2,0,0,0,0|2,0,0]=4 1300 B15R2.22666 COc1cc(=O)oc2c1ccc(c2)F 7a_100009876825_200000210301 [0,2,0,0,0,0|2,0,0]=4 1301 B15R2.22666 [13CH3]Oc1cc(=O)oc2c1ccc(c2)Br 7a_100010062223_200025704644 [0,2,0,0,0,0|2,0,0]=4 1302 B15R2.22666 [13CH3]Oc1cc(=O)oc2c1ccc(c2)F 7a_100009876825_200025704644 [0,2,0,0,0,0|2,0,0]=4 1303 B15R2.86973 COc1cccc2c1cc(c(c2)F)F 34a_100010675338_200000210301 [0,2,0,0,0,0|1,0,0]=3 1304 B15R2.86973 COc1cccc2c1cc(c(c2)F)F 7a_100010675338_200000210301 [0,2,0,0,0,0|1,0,0]=3 1305 B15R2.86973 [13CH3]Oc1cccc2c1cc(c(c2)F)F 34a_100010675338_200025704644 [0,2,0,0,0,0|1,0,0]=3 1306 B15R2.86973 [13CH3]Oc1cccc2c1cc(c(c2)F)F 7a_100010675338_200025704644 [0,2,0,0,0,0|1,0,0]=3 1307 B15R2.86986 COc1ccnc2c1c(cc(c2)C)C 34a_200011310558_200000210301 [0,2,0,0,0,0|2,0,0]=4 1308 B15R2.86986 Cc1cc(c2c(ccnc2c1)O[13CH3])C 34a_200011310558_200025704644 [0,2,0,0,0,0|2,0,0]=4 1309 B15R2.2039 COc1cc2ncnc(c2cc1O)O 271570a_203496583355_100010141198 [0,2,0,0,0,0|2,0,0]=4 1310 B15R2.2039 Cc1cccc2c1nc(c(c2)CO)O 271570a_203496583355_200000025415 [0,2,0,0,0,0|2,0,0]=4 1311 B15R2.13598 C=C(C)c1ccc2c(cccc2c1)N 271570a_100000694244_100010090037 [0,2,0,0,0,0|2,0,0]=4 1312 B15R2.13598 C=C(C)c1ccc2c(cccc2c1)O 271570a_100000694244_100010202202 [0,2,0,0,0,0|1,0,0]=3 1313 B15R2.13598 C=C(C)c1ccc2c(ccnc2c1)O 271570a_100000694244_100000756855 [0,2,0,0,0,0|2,0,0]=4 1314 B15R2.13598 C=C(C)c1ccc2c(nccc2c1)O 271570a_100000694244_100000760485 [0,2,0,0,0,0|2,0,0]=4 1315 B15R2.13598 CC(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_200000210301 [0,2,0,0,0,0|1,0,1]=4 1316 B15R2.13598 CC(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_200000210301 [0,2,0,0,0,0|1,0,1]=4 1317 B15R2.13598 CC(C)c1ccc2c(nccc2c1)O 271570a_203496583355_100010183064 [0,2,0,0,0,0|2,0,0]=4 1318 B15R2.13598 [13CH3]C(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_200025704644 [0,2,0,0,0,0|1,0,1]=4 1319 B15R2.13598 [13CH3]C(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_200025704644 [0,2,0,0,0,0|1,0,1]=4 1320 B15R2.54379 C=C=Cc1ccc2c(cccc2c1)N 271570a_100015277604_100010090037 [0,2,0,0,0,0|2,0,0]=4 1321 B15R2.54379 C=C=Cc1ccc2c(cccc2c1)O 271570a_100015277604_100010202202 [0,2,0,0,0,0|1,0,0]=3 1322 B15R2.54379 C=C=Cc1ccc2c(ccnc2c1)O 271570a_100015277604_100000756855 [0,2,0,0,0,0|2,0,0]=4 1323 B15R2.54379 C=C=Cc1ccc2c(nccc2c1)O 271570a_100015277604_100000760485 [0,2,0,0,0,0|2,0,0]=4 1324 B15R2.54379 CC=Cc1ccc2c(cccc2c1)N 271570a_100016259895_100010090037 [0,2,0,0,0,0|2,0,0]=4 1325 B15R2.54379 CC=Cc1ccc2c(cccc2c1)O 271570a_100016259895_100010202202 [0,2,0,0,0,0|1,0,0]=3 1326 B15R2.54379 CC=Cc1ccc2c(ccnc2c1)O 271570a_100016259895_100000756855 [0,2,0,0,0,0|2,0,0]=4 1327 B15R2.54379 CC=Cc1ccc2c(nccc2c1)O 271570a_100016259895_100000760485 [0,2,0,0,0,0|2,0,0]=4 1328 B15R2.54379 CCNc1ccc2c(cccc2c1)O 34a_100000035793_100000210202 [0,2,0,0,0,0|1,0,0]=3 1329 B15R2.54379 CCNc1ccc2c(cccc2c1)O 7a_100000035793_100000210202 [0,2,0,0,0,0|1,0,0]=3 1330 B15R2.54379 CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210202 [0,2,0,0,0,0|1,0,1]=4 1331 B15R2.54379 CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210202 [0,2,0,0,0,0|1,0,1]=4 1332 B15R2.54379 CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210202 [0,2,0,0,0,0|1,0,1]=4 1333 B15R2.54379 CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210202 [0,2,0,0,0,0|1,0,1]=4 1334 B15R2.54379 CCOc1ccc2c(cccc2c1)N 34a_100000034668_100000210202 [0,2,0,0,0,0|1,0,0]=3 1335 B15R2.54379 CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000210202 [0,2,0,0,0,0|1,0,0]=3 1336 B15R2.54379 CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210202 [0,2,0,0,0,0|2,0,0]=4 1337 B15R2.54379 CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210202 [0,2,0,0,0,0|2,0,0]=4 1338 B15R2.54379 CCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000210202 [0,2,0,0,0,0|2,0,0]=4 1339 B15R2.54379 CCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000210202 [0,2,0,0,0,0|2,0,0]=4 1340 B15R2.54379 CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210202 [0,2,0,0,0,0|2,0,0]=4 1341 B15R2.54379 CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210202 [0,2,0,0,0,0|2,0,0]=4 1342 B15R2.54379 CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210202 [0,2,0,0,0,0|2,0,0]=4 1343 B15R2.54379 CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210202 [0,2,0,0,0,0|2,0,0]=4 1344 B15R2.54379 CCOc1cnc2c(cccc2c1)F 34a_100012184956_100000210202 [0,2,0,0,0,0|2,0,0]=4 1345 B15R2.54379 CCOc1cnc2c(cccc2c1)F 7a_100012184956_100000210202 [0,2,0,0,0,0|2,0,0]=4 1346 B15R2.54379 CCSc1ccc2c(cccc2c1)N 62a_100000210202_100010090037 [0,2,0,0,0,0|1,1,0]=4 1347 B15R2.54379 CCSc1ccc2c(cccc2c1)N 62a_100010090037_100000210202 [0,2,0,0,0,0|1,1,0]=4 1348 B15R2.54379 CCSc1ccc2c(cccc2c1)O 62a_100000210202_100010202202 [0,2,0,0,0,0|0,1,0]=3 1349 B15R2.54379 CCSc1ccc2c(ccnc2c1)O 62a_100000210202_100000756855 [0,2,0,0,0,0|1,1,0]=4 1350 B15R2.54379 CCSc1ccc2c(nccc2c1)O 62a_100000210202_100000760485 [0,2,0,0,0,0|1,1,0]=4 1351 B15R2.54379 Cc1ccnc2c1ccc(c2)OCF 34a_200009854145_100015361967 [0,2,0,0,0,0|2,0,0]=4 1352 B15R2.54379 Cc1ccnc2c1ccc(c2)OCF 7a_200009854145_100015361967 [0,2,0,0,0,0|2,0,0]=4 1353 B15R2.54379 FCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100015361967 [0,2,0,0,0,0|2,0,0]=4 1354 B15R2.54379 FCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100015361967 [0,2,0,0,0,0|2,0,0]=4 1355 B15R2.54379 FCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100015361967 [0,2,0,0,0,0|2,0,0]=4 1356 B15R2.54379 FCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100015361967 [0,2,0,0,0,0|2,0,0]=4 1357 B15R2.54379 FCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100015361967 [0,2,0,0,0,0|2,0,0]=4 1358 B15R2.54379 FCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100015361967 [0,2,0,0,0,0|2,0,0]=4 1359 B15R2.54379 FCOc1cnc2c(cccc2c1)F 34a_100012184956_100015361967 [0,2,0,0,0,0|2,0,0]=4 1360 B15R2.54379 FCOc1cnc2c(cccc2c1)F 7a_100012184956_100015361967 [0,2,0,0,0,0|2,0,0]=4 1361 B15R2.54379 Nc1cccc2c1ccc(c2)OCF 34a_100000034668_100015361967 [0,2,0,0,0,0|1,0,0]=3 1362 B15R2.54379 Nc1cccc2c1ccc(c2)OCF 7a_100000034668_100015361967 [0,2,0,0,0,0|1,0,0]=3 1363 B15R2.54379 Nc1cccc2c1ccc(c2)SCF 62a_100010090037_100015361967 [0,2,0,0,0,0|1,1,0]=4 1364 B15R2.54379 Nc1cccc2c1ccc(c2)SCF 62a_100015361967_100010090037 [0,2,0,0,0,0|1,1,0]=4 1365 B15R2.54379 O=c1[nH]ccc2c1ccc(c2)OCF 34a_100009857879_100015361967 [0,2,0,0,0,0|1,0,1]=4 1366 B15R2.54379 O=c1[nH]ccc2c1ccc(c2)OCF 7a_100009857879_100015361967 [0,2,0,0,0,0|1,0,1]=4 1367 B15R2.54379 O=c1ccoc2c1ccc(c2)OCF 34a_200000065989_100015361967 [0,2,0,0,0,0|1,0,1]=4 1368 B15R2.54379 O=c1ccoc2c1ccc(c2)OCF 7a_200000065989_100015361967 [0,2,0,0,0,0|1,0,1]=4 1369 B15R2.54379 Oc1cccc2c1ccc(c2)NCF 34a_100000035793_100015361967 [0,2,0,0,0,0|1,0,0]=3 1370 B15R2.54379 Oc1cccc2c1ccc(c2)NCF 7a_100000035793_100015361967 [0,2,0,0,0,0|1,0,0]=3 1371 B15R2.54379 Oc1cccc2c1ccc(c2)SCF 62a_100015361967_100010202202 [0,2,0,0,0,0|0,1,0]=3 1372 B15R2.54379 Oc1ccnc2c1ccc(c2)SCF 62a_100015361967_100000756855 [0,2,0,0,0,0|1,1,0]=4 1373 B15R2.54379 Oc1nccc2c1ccc(c2)SCF 62a_100015361967_100000760485 [0,2,0,0,0,0|1,1,0]=4 1374 B15R2.83901 COc1cc(c2c(cccc2c1)Cl)Br 34a_103552013942_200000210301 [0,2,0,0,0,0|1,0,0]=3 1375 B15R2.83901 COc1cc(c2c(cccc2c1)Cl)Br 7a_103552013942_200000210301 [0,2,0,0,0,0|1,0,0]=3 1376 B15R2.83901 [13CH3]Oc1cc(c2c(cccc2c1)Cl)Br 34a_103552013942_200025704644 [0,2,0,0,0,0|1,0,0]=3 1377 B15R2.83901 [13CH3]Oc1cc(c2c(cccc2c1)Cl)Br 7a_103552013942_200025704644 [0,2,0,0,0,0|1,0,0]=3 1378 B15R2.89396 C=Cc1ccc2c(cc(=O)oc2c1)O 271570a_100011290941_100010062223 [0,2,0,0,0,0|2,0,0]=4 1379 B15R2.89396 COc1ccc2c([nH]c(=O)cc2c1)O 271570a_203496583355_100010989755 [0,2,0,0,0,0|1,0,0]=3 1380 B15R2.89396 COc1ccc2c(cc(=O)oc2c1)C 34a_100000181958_200000210301 [0,2,0,0,0,0|2,0,0]=4 1381 B15R2.89396 COc1ccc2c(cc(=O)oc2c1)C 7a_100000181958_200000210301 [0,2,0,0,0,0|2,0,0]=4 1382 B15R2.89396 COc1ccc2c(cc(nc2c1)C)O 271570a_203496583355_100000044451 [0,2,0,0,0,0|1,0,0]=3 1383 B15R2.89396 COc1ccc2c(cc(nc2c1)O)C 271570a_203496583355_100000010170 [0,2,0,0,0,0|2,0,0]=4 1384 B15R2.89396 CSc1ccc2c(cc(=O)oc2c1)O 62a_200000210301_100010062223 [0,2,0,0,0,0|1,1,0]=4 1385 B15R2.89396 Cc1cc(=O)oc2c1ccc(c2)O[13CH3] 34a_100000181958_200025704644 [0,2,0,0,0,0|2,0,0]=4 1386 B15R2.89396 Cc1cc(=O)oc2c1ccc(c2)O[13CH3] 7a_100000181958_200025704644 [0,2,0,0,0,0|2,0,0]=4 1387 B15R2.89396 [13CH3]Sc1ccc2c(cc(=O)oc2c1)O 62a_200025704644_100010062223 [0,2,0,0,0,0|1,1,0]=4 1388 B15R2.89401 C=Cc1ccc2c(c(ccc2c1)O)F 271570a_100011290941_100010730138 [0,2,0,0,0,0|2,0,0]=4 1389 B15R2.89401 C=Cc1ccc2c(c1)C=CC(=O)C2=O 271570a_100011290941_100009812793 [0,2,0,0,0,0|1,0,1]=4 1390 B15R2.89401 COc1ccc2c(=O)c(coc2c1)O 271570a_203496583355_100010272328 [0,2,0,0,0,0|1,0,1]=4 1391 B15R2.89401 CSc1ccc2c(c(ccc2c1)O)F 62a_100010730138_200000210301 [0,2,0,0,0,0|1,1,0]=4 1392 B15R2.89401 CSc1ccc2c(c(ccc2c1)O)F 62a_200000210301_100010730138 [0,2,0,0,0,0|1,1,0]=4 1393 B15R2.89401 CSc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_200000210301 [0,2,0,0,0,0|0,1,1]=4 1394 B15R2.89401 CSc1ccc2c(c1)C=CC(=O)C2=O 62a_200000210301_100009812793 [0,2,0,0,0,0|0,1,1]=4 1395 B15R2.89401 [13CH3]Sc1ccc2c(c(ccc2c1)O)F 62a_100010730138_200025704644 [0,2,0,0,0,0|1,1,0]=4 1396 B15R2.89401 [13CH3]Sc1ccc2c(c(ccc2c1)O)F 62a_200025704644_100010730138 [0,2,0,0,0,0|1,1,0]=4 1397 B15R2.89401 [13CH3]Sc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_200025704644 [0,2,0,0,0,0|0,1,1]=4 1398 B15R2.89401 [13CH3]Sc1ccc2c(c1)C=CC(=O)C2=O 62a_200025704644_100009812793 [0,2,0,0,0,0|0,1,1]=4 1399 B15R2.63910 Cc1cc(=O)c2ccc(c(c2[nH]1)C)O 271570a_203496583355_100012349997 [0,2,0,0,0,0|1,0,1]=4 1400 B15R2.89223 COc1ccc(c2c1nc(cc2)C)O 271570a_203496583355_100009888978 [0,2,0,0,0,0|2,0,0]=4 1401 B15R2.89223 N#Cc1cc[n+](c2c1cc(cc2)O)[O-] 271570a_203496583355_103439469253 [0,2,0,0,0,0|1,0,1]=4 1402 B15R2.89223 N#Cc1ccc(c2c1[nH]c(=O)cc2)O 271570a_203496583355_114929132907 [0,2,0,0,0,0|1,0,1]=4 1403 B15R2.2393 COc1cc2c(ccnc2cc1F)O 271570a_203496583355_100000725136 [0,2,0,0,0,0|2,0,0]=4 1404 B15R2.2393 COc1cc2c(ccnc2cc1O)O 271570a_203496583355_100010174314 [0,2,0,0,0,0|1,0,0]=3 1405 B15R2.63893 Cc1c(c(=O)oc2c1ccc(c2)O)O 271570a_203496583355_200009996780 [0,2,0,0,0,0|2,0,0]=4 1406 B15R2.4778 COc1ccc2cc(ccc2c1Br)Br 34a_100009812206_200000210301 [0,2,0,0,0,0|2,0,0]=4 1407 B15R2.4778 COc1ccc2cc(ccc2c1Br)Br 7a_100009812206_200000210301 [0,2,0,0,0,0|2,0,0]=4 1408 B15R2.4778 COc1ccc2cc(ccc2c1F)Br 34a_100010730138_200000210301 [0,2,0,0,0,0|2,0,0]=4 1409 B15R2.4778 COc1ccc2cc(ccc2c1F)Br 7a_100010730138_200000210301 [0,2,0,0,0,0|2,0,0]=4 1410 B15R2.4778 COc1ccc2nc(ccc2c1O)C 271570a_203496583355_100010269488 [0,2,0,0,0,0|2,0,0]=4 1411 B15R2.4778 N#Cc1cnc2cc(ccc2c1O)F 271570a_203496583355_200011934548 [0,2,0,0,0,0|2,0,0]=4 1412 B15R2.4778 [13CH3]Oc1ccc2cc(ccc2c1Br)Br 34a_100009812206_200025704644 [0,2,0,0,0,0|2,0,0]=4 1413 B15R2.4778 [13CH3]Oc1ccc2cc(ccc2c1Br)Br 7a_100009812206_200025704644 [0,2,0,0,0,0|2,0,0]=4 1414 B15R2.4778 [13CH3]Oc1ccc2cc(ccc2c1F)Br 34a_100010730138_200025704644 [0,2,0,0,0,0|2,0,0]=4 1415 B15R2.4778 [13CH3]Oc1ccc2cc(ccc2c1F)Br 7a_100010730138_200025704644 [0,2,0,0,0,0|2,0,0]=4 1416 B13R2.12 Brc1ccc(cc1)c2ccco2 271570a_100000750936_100000752885 [0,0,1,1,0,0|1,0,0]=3 1417 B13R2.12 Brc1ccc(cc1)c2ccco2 271570a_100010235827_100009814098 [0,0,1,1,0,0|1,0,0]=3 1418 B13R2.12 Brc1ccc(cc1)c2cccs2 271570a_100000742291_100000752885 [0,0,1,1,0,0|1,1,0]=4 1419 B13R2.12 Brc1ccc(cc1)c2cccs2 271570a_100010235827_100011215356 [0,0,1,1,0,0|1,1,0]=4 1420 B13R2.12 Brc1ccc(cc1)c2cnco2 271570a_100010235827_100020591547 [0,0,1,1,0,0|2,0,0]=4 1421 B13R2.12 Brc1ccc(cc1)c2ncco2 271570a_100010235827_100011787736 [0,0,1,1,0,0|2,0,0]=4 1422 B13R2.12 Brc1ccc(cn1)c2ccco2 271570a_100000750936_100009814638 [0,0,1,1,0,0|2,0,0]=4 1423 B13R2.12 Brc1ccc(nc1)c2ccco2 271570a_100000750936_100000686858 [0,0,1,1,0,0|2,0,0]=4 1424 B13R2.12 C[n+]1ccc(cc1)c2ccco2 271570a_100010897472_100009814098 [0,0,1,1,0,0|2,0,0]=4 1425 B13R2.12 Cc1ccc(cc1)c2ccco2 271570a_100000708704_100009814098 [0,0,1,1,0,0|1,0,0]=3 1426 B13R2.12 Cc1ccc(cc1)c2ccco2 271570a_100000750936_100000186775 [0,0,1,1,0,0|1,0,0]=3 1427 B13R2.12 Cc1ccc(cc1)c2cccs2 271570a_100000708704_100011215356 [0,0,1,1,0,0|1,1,0]=4 1428 B13R2.12 Cc1ccc(cc1)c2cccs2 271570a_100000742291_100000186775 [0,0,1,1,0,0|1,1,0]=4 1429 B13R2.12 Cc1ccc(cc1)c2cnco2 271570a_100000708704_100020591547 [0,0,1,1,0,0|2,0,0]=4 1430 B13R2.12 Cc1ccc(cc1)c2ncco2 271570a_100000708704_100011787736 [0,0,1,1,0,0|2,0,0]=4 1431 B13R2.12 Cc1ccc(cn1)c2ccco2 271570a_100000750936_100000751577 [0,0,1,1,0,0|2,0,0]=4 1432 B13R2.12 Cc1ccc(cn1)c2ccco2 271570a_100012354835_100009814098 [0,0,1,1,0,0|2,0,0]=4 1433 B13R2.12 Cc1ccc(nc1)c2ccco2 271570a_100000066433_100009814098 [0,0,1,1,0,0|2,0,0]=4 1434 B13R2.12 Cc1ccc(nc1)c2ccco2 271570a_100000750936_100000754016 [0,0,1,1,0,0|2,0,0]=4 1435 B13R2.12 Clc1ccc(cc1)c2ccco2 271570a_100000750936_100000755918 [0,0,1,1,0,0|1,0,0]=3 1436 B13R2.12 Clc1ccc(cc1)c2ccco2 271570a_100011213355_100009814098 [0,0,1,1,0,0|1,0,0]=3 1437 B13R2.12 Clc1ccc(cc1)c2cccs2 271570a_100000742291_100000755918 [0,0,1,1,0,0|1,1,0]=4 1438 B13R2.12 Clc1ccc(cc1)c2cccs2 271570a_100011213355_100011215356 [0,0,1,1,0,0|1,1,0]=4 1439 B13R2.12 Clc1ccc(cc1)c2cnco2 271570a_100011213355_100020591547 [0,0,1,1,0,0|2,0,0]=4 1440 B13R2.12 Clc1ccc(cc1)c2ncco2 271570a_100011213355_100011787736 [0,0,1,1,0,0|2,0,0]=4 1441 B13R2.12 Clc1ccc(cn1)c2ccco2 271570a_100000037156_100009814098 [0,0,1,1,0,0|2,0,0]=4 1442 B13R2.12 Clc1ccc(cn1)c2ccco2 271570a_100000750936_100000034144 [0,0,1,1,0,0|2,0,0]=4 1443 B13R2.12 Clc1ccc(nc1)c2ccco2 271570a_100000750936_100011356976 [0,0,1,1,0,0|2,0,0]=4 1444 B13R2.12 Clc1ccc(nc1)c2ccco2 271570a_200000049369_100009814098 [0,0,1,1,0,0|2,0,0]=4 1445 B13R2.12 Fc1ccc(cc1)c2ccco2 271570a_100000750936_100000211213 [0,0,1,1,0,0|1,0,0]=3 1446 B13R2.12 Fc1ccc(cc1)c2ccco2 271570a_100011934326_100009814098 [0,0,1,1,0,0|1,0,0]=3 1447 B13R2.12 Fc1ccc(cc1)c2cccs2 271570a_100000742291_100000211213 [0,0,1,1,0,0|1,1,0]=4 1448 B13R2.12 Fc1ccc(cc1)c2cccs2 271570a_100011934326_100011215356 [0,0,1,1,0,0|1,1,0]=4 1449 B13R2.12 Fc1ccc(cc1)c2cnco2 271570a_100011934326_100020591547 [0,0,1,1,0,0|2,0,0]=4 1450 B13R2.12 Fc1ccc(cc1)c2ncco2 271570a_100011934326_100011787736 [0,0,1,1,0,0|2,0,0]=4 1451 B13R2.12 Fc1ccc(cn1)c2ccco2 271570a_100000041719_100009814098 [0,0,1,1,0,0|2,0,0]=4 1452 B13R2.12 Fc1ccc(cn1)c2ccco2 271570a_100000750936_100000748661 [0,0,1,1,0,0|2,0,0]=4 1453 B13R2.12 Fc1ccc(nc1)c2ccco2 271570a_100000117362_100009814098 [0,0,1,1,0,0|2,0,0]=4 1454 B13R2.12 Fc1ccc(nc1)c2ccco2 271570a_100000750936_100000744514 [0,0,1,1,0,0|2,0,0]=4 1455 B13R2.12 Ic1ccc(cc1)c2ccco2 271570a_100000033156_100009814098 [0,0,1,1,0,0|1,0,0]=3 1456 B13R2.12 Ic1ccc(cc1)c2cccs2 271570a_100000033156_100011215356 [0,0,1,1,0,0|1,1,0]=4 1457 B13R2.12 Ic1ccc(cc1)c2cnco2 271570a_100000033156_100020591547 [0,0,1,1,0,0|2,0,0]=4 1458 B13R2.12 Ic1ccc(cc1)c2ncco2 271570a_100000033156_100011787736 [0,0,1,1,0,0|2,0,0]=4 1459 B13R2.12 Nc1ccc(cc1)c2ccco2 271570a_100000750936_100000185761 [0,0,1,1,0,0|1,0,0]=3 1460 B13R2.12 Nc1ccc(cc1)c2ccco2 271570a_100015188457_100009814098 [0,0,1,1,0,0|1,0,0]=3 1461 B13R2.12 Nc1ccc(cc1)c2cccs2 271570a_100000742291_100000185761 [0,0,1,1,0,0|1,1,0]=4 1462 B13R2.12 Nc1ccc(cc1)c2cccs2 271570a_100015188457_100011215356 [0,0,1,1,0,0|1,1,0]=4 1463 B13R2.12 Nc1ccc(cc1)c2cnco2 271570a_100015188457_100020591547 [0,0,1,1,0,0|2,0,0]=4 1464 B13R2.12 Nc1ccc(cc1)c2ncco2 271570a_100015188457_100011787736 [0,0,1,1,0,0|2,0,0]=4 1465 B13R2.12 Nc1ccc(cn1)c2ccco2 271570a_100000062249_100009814098 [0,0,1,1,0,0|2,0,0]=4 1466 B13R2.12 Nc1ccc(cn1)c2ccco2 271570a_100000750936_100000187370 [0,0,1,1,0,0|2,0,0]=4 1467 B13R2.12 Nc1ccc(nc1)c2ccco2 271570a_100000750936_100000744251 [0,0,1,1,0,0|2,0,0]=4 1468 B13R2.12 O=c1ccc(c[nH]1)c2ccco2 271570a_100000750936_100000212171 [0,0,1,1,0,0|1,0,1]=4 1469 B13R2.12 Oc1ccc(cc1)c2c[nH]cn2 271570a_100015205159_100000756875 [0,0,1,1,0,0|2,0,0]=4 1470 B13R2.12 Oc1ccc(cc1)c2c[nH]cn2 271570a_203496583355_100009812454 [0,0,1,1,0,0|2,0,0]=4 1471 B13R2.12 Oc1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000185759 [0,0,1,1,0,0|2,0,0]=4 1472 B13R2.12 Oc1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100000185759 [0,0,1,1,0,0|2,0,0]=4 1473 B13R2.12 Oc1ccc(cc1)c2cc[nH]n2 271570a_100015205159_100000062575 [0,0,1,1,0,0|2,0,0]=4 1474 B13R2.12 Oc1ccc(cc1)c2ccco2 271570a_100000750936_100000185759 [0,0,1,1,0,0|0,0,0]=2 1475 B13R2.12 Oc1ccc(cc1)c2ccco2 271570a_100015205159_100009814098 [0,0,1,1,0,0|0,0,0]=2 1476 B13R2.12 Oc1ccc(cc1)c2cccs2 271570a_100000742291_100000185759 [0,0,1,1,0,0|0,1,0]=3 1477 B13R2.12 Oc1ccc(cc1)c2cccs2 271570a_100015205159_100011215356 [0,0,1,1,0,0|0,1,0]=3 1478 B13R2.12 Oc1ccc(cc1)c2cccs2 271570a_203496583355_100009816718 [0,0,1,1,0,0|0,1,0]=3 1479 B13R2.12 Oc1ccc(cc1)c2ccn[nH]2 271570a_203496583355_100020649029 [0,0,1,1,0,0|2,0,0]=4 1480 B13R2.12 Oc1ccc(cc1)c2ccno2 271570a_203496583355_100011216027 [0,0,1,1,0,0|1,0,0]=3 1481 B13R2.12 Oc1ccc(cc1)c2ccns2 271570a_203496583355_200010185659 [0,0,1,1,0,0|1,1,0]=4 1482 B13R2.12 Oc1ccc(cc1)c2ccoc2 271570a_100011218838_100000185759 [0,0,1,1,0,0|2,0,0]=4 1483 B13R2.12 Oc1ccc(cc1)c2ccoc2 271570a_100015205159_100011215275 [0,0,1,1,0,0|2,0,0]=4 1484 B13R2.12 Oc1ccc(cc1)c2ccon2 271570a_203496583355_200011934941 [0,0,1,1,0,0|2,0,0]=4 1485 B13R2.12 Oc1ccc(cc1)c2ccsc2 271570a_100011934443_100000185759 [0,0,1,1,0,0|2,0,0]=4 1486 B13R2.12 Oc1ccc(cc1)c2ccsc2 271570a_100015205159_100000738268 [0,0,1,1,0,0|2,0,0]=4 1487 B13R2.12 Oc1ccc(cc1)c2ccsn2 271570a_100015205159_100009818082 [0,0,1,1,0,0|2,0,0]=4 1488 B13R2.12 Oc1ccc(cc1)c2cnco2 271570a_100015205159_100020591547 [0,0,1,1,0,0|1,0,0]=3 1489 B13R2.12 Oc1ccc(cc1)c2cnco2 271570a_203496583355_100009814239 [0,0,1,1,0,0|1,0,0]=3 1490 B13R2.12 Oc1ccc(cc1)c2cncs2 271570a_100010231675_100000185759 [0,0,1,1,0,0|1,1,0]=4 1491 B13R2.12 Oc1ccc(cc1)c2cncs2 271570a_100015205159_100011934649 [0,0,1,1,0,0|1,1,0]=4 1492 B13R2.12 Oc1ccc(cc1)c2cscn2 271570a_100015205159_100000751502 [0,0,1,1,0,0|2,0,0]=4 1493 B13R2.12 Oc1ccc(cc1)c2ncc[nH]2 271570a_100015205159_100025796157 [0,0,1,1,0,0|2,0,0]=4 1494 B13R2.12 Oc1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000185759 [0,0,1,1,0,0|2,0,0]=4 1495 B13R2.12 Oc1ccc(cc1)c2ncc[nH]2 271570a_203496583355_100011393233 [0,0,1,1,0,0|2,0,0]=4 1496 B13R2.12 Oc1ccc(cc1)c2ncco2 271570a_100015205159_100011787736 [0,0,1,1,0,0|1,0,0]=3 1497 B13R2.12 Oc1ccc(cc1)c2ncco2 271570a_203496583355_200010153272 [0,0,1,1,0,0|1,0,0]=3 1498 B13R2.12 Oc1ccc(cc1)c2nccs2 271570a_100015205159_100000211983 [0,0,1,1,0,0|1,1,0]=4 1499 B13R2.12 Oc1ccc(cc1)c2nccs2 271570a_203496583355_100000756710 [0,0,1,1,0,0|1,1,0]=4 1500 B13R2.12 Oc1ccc(cc1)c2nnco2 271570a_203496583355_100000179025 [0,0,1,1,0,0|2,0,0]=4 1501 B13R2.12 Oc1ccc(cc1)n2cccc2 271570a_203496583355_100000179376 [0,0,1,1,0,0|2,0,0]=4 1502 B13R2.12 Oc1ccc(cc1)n2cccn2 271570a_203496583355_100000751073 [0,0,1,1,0,0|2,0,0]=4 1503 B13R2.12 Oc1ccc(cn1)c2ccco2 271570a_100000062254_100009814098 [0,0,1,1,0,0|1,0,0]=3 1504 B13R2.12 Oc1ccc(cn1)c2cccs2 271570a_100000062254_100011215356 [0,0,1,1,0,0|1,1,0]=4 1505 B13R2.12 Oc1ccc(cn1)c2cnco2 271570a_100000062254_100020591547 [0,0,1,1,0,0|2,0,0]=4 1506 B13R2.12 Oc1ccc(cn1)c2ncco2 271570a_100000062254_100011787736 [0,0,1,1,0,0|2,0,0]=4 1507 B13R2.12 Oc1ccc(nc1)c2ccco2 271570a_100000750936_100000685995 [0,0,1,1,0,0|1,0,0]=3 1508 B13R2.12 Oc1ccc(nc1)c2cccs2 271570a_100000742291_100000685995 [0,0,1,1,0,0|1,1,0]=4 1509 B13R2.12 Oc1ccc(nc1)c2cccs2 271570a_203496583355_100009816077 [0,0,1,1,0,0|1,1,0]=4 1510 B13R2.12 Oc1cnc(nc1)c2ccco2 271570a_100000750936_100000730009 [0,0,1,1,0,0|2,0,0]=4 1511 B13R2.12 [O-][n+]1ccc(cc1)c2ccco2 271570a_100000750936_100000039755 [0,0,1,1,0,0|1,0,1]=4 1512 B13R2.13 Brc1cc(ccn1)c2ccco2 271570a_100000750936_100009814637 [0,0,1,1,0,0|2,0,0]=4 1513 B13R2.13 Brc1cccc(c1)c2ccco2 271570a_100000750936_100000691529 [0,0,1,1,0,0|1,0,0]=3 1514 B13R2.13 Brc1cccc(c1)c2cccs2 271570a_100000742291_100000691529 [0,0,1,1,0,0|1,1,0]=4 1515 B13R2.13 Brc1cccc(n1)c2ccco2 271570a_100000750936_100000684672 [0,0,1,1,0,0|2,0,0]=4 1516 B13R2.13 Brc1cncc(c1)c2ccco2 271570a_100000750936_100000728054 [0,0,1,1,0,0|2,0,0]=4 1517 B13R2.13 Brc1cncc(c1)c2ccco2 271570a_200009814628_100009814098 [0,0,1,1,0,0|2,0,0]=4 1518 B13R2.13 C[n+]1cccc(c1)c2ccco2 271570a_100000750936_100009996589 [0,0,1,1,0,0|2,0,0]=4 1519 B13R2.13 Cc1cc(ccn1)c2ccco2 271570a_100000750936_100000758586 [0,0,1,1,0,0|2,0,0]=4 1520 B13R2.13 Cc1cc(ccn1)c2ccco2 271570a_100011830414_100009814098 [0,0,1,1,0,0|2,0,0]=4 1521 B13R2.13 Cc1cccc(c1)c2ccco2 271570a_100000749446_100009814098 [0,0,1,1,0,0|1,0,0]=3 1522 B13R2.13 Cc1cccc(c1)c2ccco2 271570a_100000750936_100011215228 [0,0,1,1,0,0|1,0,0]=3 1523 B13R2.13 Cc1cccc(c1)c2cccs2 271570a_100000742291_100011215228 [0,0,1,1,0,0|1,1,0]=4 1524 B13R2.13 Cc1cccc(c1)c2cccs2 271570a_100000749446_100011215356 [0,0,1,1,0,0|1,1,0]=4 1525 B13R2.13 Cc1cccc(c1)c2cnco2 271570a_100000749446_100020591547 [0,0,1,1,0,0|2,0,0]=4 1526 B13R2.13 Cc1cccc(c1)c2ncco2 271570a_100000749446_100011787736 [0,0,1,1,0,0|2,0,0]=4 1527 B13R2.13 Cc1cccc(n1)c2ccco2 271570a_100000046275_100009814098 [0,0,1,1,0,0|2,0,0]=4 1528 B13R2.13 Cc1cccc(n1)c2ccco2 271570a_100000750936_100000742759 [0,0,1,1,0,0|2,0,0]=4 1529 B13R2.13 Cc1ccnc(c1)c2ccco2 271570a_100000049243_100009814098 [0,0,1,1,0,0|2,0,0]=4 1530 B13R2.13 Cc1ccnc(c1)c2ccco2 271570a_100000750936_100000750283 [0,0,1,1,0,0|2,0,0]=4 1531 B13R2.13 Cc1cncc(c1)c2ccco2 271570a_100000750936_100000760492 [0,0,1,1,0,0|2,0,0]=4 1532 B13R2.13 Cc1cncc(c1)c2ccco2 271570a_100012355712_100009814098 [0,0,1,1,0,0|2,0,0]=4 1533 B13R2.13 Clc1cc(ccn1)c2ccco2 271570a_100000049459_100009814098 [0,0,1,1,0,0|2,0,0]=4 1534 B13R2.13 Clc1cc(ccn1)c2ccco2 271570a_100000750936_100000035001 [0,0,1,1,0,0|2,0,0]=4 1535 B13R2.13 Clc1cccc(c1)c2ccco2 271570a_100000750936_100000699651 [0,0,1,1,0,0|1,0,0]=3 1536 B13R2.13 Clc1cccc(c1)c2ccco2 271570a_100011214927_100009814098 [0,0,1,1,0,0|1,0,0]=3 1537 B13R2.13 Clc1cccc(c1)c2cccs2 271570a_100000742291_100000699651 [0,0,1,1,0,0|1,1,0]=4 1538 B13R2.13 Clc1cccc(c1)c2cccs2 271570a_100011214927_100011215356 [0,0,1,1,0,0|1,1,0]=4 1539 B13R2.13 Clc1cccc(c1)c2cnco2 271570a_100011214927_100020591547 [0,0,1,1,0,0|2,0,0]=4 1540 B13R2.13 Clc1cccc(c1)c2ncco2 271570a_100011214927_100011787736 [0,0,1,1,0,0|2,0,0]=4 1541 B13R2.13 Clc1cccc(n1)c2ccco2 271570a_100000062326_100009814098 [0,0,1,1,0,0|2,0,0]=4 1542 B13R2.13 Clc1ccnc(c1)c2ccco2 271570a_100000750936_100010167805 [0,0,1,1,0,0|2,0,0]=4 1543 B13R2.13 Clc1cncc(c1)c2ccco2 271570a_100000049213_100009814098 [0,0,1,1,0,0|2,0,0]=4 1544 B13R2.13 Clc1cncc(c1)c2ccco2 271570a_100000750936_100000049639 [0,0,1,1,0,0|2,0,0]=4 1545 B13R2.13 Fc1cc(ccn1)c2ccco2 271570a_100000062321_100009814098 [0,0,1,1,0,0|2,0,0]=4 1546 B13R2.13 Fc1cc(ccn1)c2ccco2 271570a_100000750936_100009816116 [0,0,1,1,0,0|2,0,0]=4 1547 B13R2.13 Fc1cccc(c1)c2ccco2 271570a_100000750936_100000685547 [0,0,1,1,0,0|1,0,0]=3 1548 B13R2.13 Fc1cccc(c1)c2ccco2 271570a_100012349223_100009814098 [0,0,1,1,0,0|1,0,0]=3 1549 B13R2.13 Fc1cccc(c1)c2cccs2 271570a_100000742291_100000685547 [0,0,1,1,0,0|1,1,0]=4 1550 B13R2.13 Fc1cccc(c1)c2cccs2 271570a_100012349223_100011215356 [0,0,1,1,0,0|1,1,0]=4 1551 B13R2.13 Fc1cccc(c1)c2cnco2 271570a_100012349223_100020591547 [0,0,1,1,0,0|2,0,0]=4 1552 B13R2.13 Fc1cccc(c1)c2ncco2 271570a_100012349223_100011787736 [0,0,1,1,0,0|2,0,0]=4 1553 B13R2.13 Fc1cccc(n1)c2ccco2 271570a_100000090185_100009814098 [0,0,1,1,0,0|2,0,0]=4 1554 B13R2.13 Fc1cccc(n1)c2ccco2 271570a_100000750936_100009815982 [0,0,1,1,0,0|2,0,0]=4 1555 B13R2.13 Fc1ccnc(c1)c2ccco2 271570a_100000750936_100009817058 [0,0,1,1,0,0|2,0,0]=4 1556 B13R2.13 Fc1ccnc(c1)c2ccco2 271570a_200000087102_100009814098 [0,0,1,1,0,0|2,0,0]=4 1557 B13R2.13 Fc1cncc(c1)c2ccco2 271570a_100000750936_100000744099 [0,0,1,1,0,0|2,0,0]=4 1558 B13R2.13 Fc1cncc(c1)c2ccco2 271570a_100000757375_100009814098 [0,0,1,1,0,0|2,0,0]=4 1559 B13R2.13 Ic1cccc(c1)c2ccco2 271570a_100000043368_100009814098 [0,0,1,1,0,0|1,0,0]=3 1560 B13R2.13 Ic1cccc(c1)c2cccs2 271570a_100000043368_100011215356 [0,0,1,1,0,0|1,1,0]=4 1561 B13R2.13 Ic1cccc(c1)c2cnco2 271570a_100000043368_100020591547 [0,0,1,1,0,0|2,0,0]=4 1562 B13R2.13 Ic1cccc(c1)c2ncco2 271570a_100000043368_100011787736 [0,0,1,1,0,0|2,0,0]=4 1563 B13R2.13 Nc1cc(ccn1)c2ccco2 271570a_100000750936_100000744379 [0,0,1,1,0,0|2,0,0]=4 1564 B13R2.13 Nc1cc(ccn1)c2ccco2 271570a_102125402725_100009814098 [0,0,1,1,0,0|2,0,0]=4 1565 B13R2.13 Nc1cccc(c1)c2ccco2 271570a_100000699968_100009814098 [0,0,1,1,0,0|1,0,0]=3 1566 B13R2.13 Nc1cccc(c1)c2ccco2 271570a_100000750936_100000210019 [0,0,1,1,0,0|1,0,0]=3 1567 B13R2.13 Nc1cccc(c1)c2cccs2 271570a_100000699968_100011215356 [0,0,1,1,0,0|1,1,0]=4 1568 B13R2.13 Nc1cccc(c1)c2cccs2 271570a_100000742291_100000210019 [0,0,1,1,0,0|1,1,0]=4 1569 B13R2.13 Nc1cccc(c1)c2cnco2 271570a_100000699968_100020591547 [0,0,1,1,0,0|2,0,0]=4 1570 B13R2.13 Nc1cccc(c1)c2ncco2 271570a_100000699968_100011787736 [0,0,1,1,0,0|2,0,0]=4 1571 B13R2.13 Nc1cccc(n1)c2ccco2 271570a_100000750936_100000740741 [0,0,1,1,0,0|2,0,0]=4 1572 B13R2.13 Nc1ccnc(c1)c2ccco2 271570a_100000750936_100009814236 [0,0,1,1,0,0|2,0,0]=4 1573 B13R2.13 Nc1cncc(c1)c2ccco2 271570a_100000069896_100009814098 [0,0,1,1,0,0|2,0,0]=4 1574 B13R2.13 Nc1cncc(c1)c2ccco2 271570a_100000750936_100000687067 [0,0,1,1,0,0|2,0,0]=4 1575 B13R2.13 O=c1cc(cc[nH]1)c2ccco2 271570a_100000750936_100009816521 [0,0,1,1,0,0|1,0,1]=4 1576 B13R2.13 O=c1cccc([nH]1)c2ccco2 271570a_100000750936_100000761760 [0,0,1,1,0,0|1,0,1]=4 1577 B13R2.13 Oc1cc(ccn1)c2ccco2 271570a_100010237957_100009814098 [0,0,1,1,0,0|1,0,0]=3 1578 B13R2.13 Oc1cc(ccn1)c2cccs2 271570a_100010237957_100011215356 [0,0,1,1,0,0|1,1,0]=4 1579 B13R2.13 Oc1cc(ccn1)c2cnco2 271570a_100010237957_100020591547 [0,0,1,1,0,0|2,0,0]=4 1580 B13R2.13 Oc1cc(ccn1)c2ncco2 271570a_100010237957_100011787736 [0,0,1,1,0,0|2,0,0]=4 1581 B13R2.13 Oc1cc(ncn1)c2ccco2 271570a_100000750936_100000765262 [0,0,1,1,0,0|2,0,0]=4 1582 B13R2.13 Oc1cccc(c1)c2c[nH]cn2 271570a_100000693801_100000756875 [0,0,1,1,0,0|2,0,0]=4 1583 B13R2.13 Oc1cccc(c1)c2c[nH]cn2 271570a_203496583355_100010196808 [0,0,1,1,0,0|2,0,0]=4 1584 B13R2.13 Oc1cccc(c1)c2cc[nH]c2 271570a_100000102155_100000211634 [0,0,1,1,0,0|2,0,0]=4 1585 B13R2.13 Oc1cccc(c1)c2cc[nH]n2 271570a_100000062414_100000211634 [0,0,1,1,0,0|2,0,0]=4 1586 B13R2.13 Oc1cccc(c1)c2cc[nH]n2 271570a_100000693801_100000062575 [0,0,1,1,0,0|2,0,0]=4 1587 B13R2.13 Oc1cccc(c1)c2ccco2 271570a_100000693801_100009814098 [0,0,1,1,0,0|0,0,0]=2 1588 B13R2.13 Oc1cccc(c1)c2ccco2 271570a_100000750936_100000211634 [0,0,1,1,0,0|0,0,0]=2 1589 B13R2.13 Oc1cccc(c1)c2cccs2 271570a_100000693801_100011215356 [0,0,1,1,0,0|0,1,0]=3 1590 B13R2.13 Oc1cccc(c1)c2cccs2 271570a_100000742291_100000211634 [0,0,1,1,0,0|0,1,0]=3 1591 B13R2.13 Oc1cccc(c1)c2ccn[nH]2 271570a_203496583355_100020606515 [0,0,1,1,0,0|2,0,0]=4 1592 B13R2.13 Oc1cccc(c1)c2ccno2 271570a_203496583355_200011216531 [0,0,1,1,0,0|1,0,0]=3 1593 B13R2.13 Oc1cccc(c1)c2ccoc2 271570a_100000693801_100011215275 [0,0,1,1,0,0|2,0,0]=4 1594 B13R2.13 Oc1cccc(c1)c2ccoc2 271570a_100011218838_100000211634 [0,0,1,1,0,0|2,0,0]=4 1595 B13R2.13 Oc1cccc(c1)c2ccsc2 271570a_100000693801_100000738268 [0,0,1,1,0,0|2,0,0]=4 1596 B13R2.13 Oc1cccc(c1)c2ccsc2 271570a_100011934443_100000211634 [0,0,1,1,0,0|2,0,0]=4 1597 B13R2.13 Oc1cccc(c1)c2ccsn2 271570a_100000693801_100009818082 [0,0,1,1,0,0|2,0,0]=4 1598 B13R2.13 Oc1cccc(c1)c2cnco2 271570a_100000693801_100020591547 [0,0,1,1,0,0|1,0,0]=3 1599 B13R2.13 Oc1cccc(c1)c2cnco2 271570a_203496583355_100009816722 [0,0,1,1,0,0|1,0,0]=3 1600 B13R2.13 Oc1cccc(c1)c2cncs2 271570a_100000693801_100011934649 [0,0,1,1,0,0|1,1,0]=4 1601 B13R2.13 Oc1cccc(c1)c2cncs2 271570a_100010231675_100000211634 [0,0,1,1,0,0|1,1,0]=4 1602 B13R2.13 Oc1cccc(c1)c2cscn2 271570a_100000693801_100000751502 [0,0,1,1,0,0|2,0,0]=4 1603 B13R2.13 Oc1cccc(c1)c2ncc[nH]2 271570a_100000693801_100025796157 [0,0,1,1,0,0|2,0,0]=4 1604 B13R2.13 Oc1cccc(c1)c2ncc[nH]2 271570a_100016988920_100000211634 [0,0,1,1,0,0|2,0,0]=4 1605 B13R2.13 Oc1cccc(c1)c2ncc[nH]2 271570a_203496583355_100000756223 [0,0,1,1,0,0|2,0,0]=4 1606 B13R2.13 Oc1cccc(c1)c2ncco2 271570a_100000693801_100011787736 [0,0,1,1,0,0|1,0,0]=3 1607 B13R2.13 Oc1cccc(c1)c2ncco2 271570a_203496583355_100010153273 [0,0,1,1,0,0|1,0,0]=3 1608 B13R2.13 Oc1cccc(c1)c2nccs2 271570a_100000693801_100000211983 [0,0,1,1,0,0|1,1,0]=4 1609 B13R2.13 Oc1cccc(c1)c2nnco2 271570a_203496583355_100000187340 [0,0,1,1,0,0|2,0,0]=4 1610 B13R2.13 Oc1cccc(c1)n2cccc2 271570a_203496583355_100000178848 [0,0,1,1,0,0|2,0,0]=4 1611 B13R2.13 Oc1cccc(c1)n2cccn2 271570a_203496583355_100011313171 [0,0,1,1,0,0|2,0,0]=4 1612 B13R2.13 Oc1cccc(n1)c2ccco2 271570a_100010195584_100009814098 [0,0,1,1,0,0|1,0,0]=3 1613 B13R2.13 Oc1cccc(n1)c2cccs2 271570a_100010195584_100011215356 [0,0,1,1,0,0|1,1,0]=4 1614 B13R2.13 Oc1cccc(n1)c2cnco2 271570a_100010195584_100020591547 [0,0,1,1,0,0|2,0,0]=4 1615 B13R2.13 Oc1cccc(n1)c2ncco2 271570a_100010195584_100011787736 [0,0,1,1,0,0|2,0,0]=4 1616 B13R2.13 Oc1ccnc(c1)c2ccco2 271570a_100000750936_100000762945 [0,0,1,1,0,0|1,0,0]=3 1617 B13R2.13 Oc1ccnc(c1)c2cccs2 271570a_100000742291_100000762945 [0,0,1,1,0,0|1,1,0]=4 1618 B13R2.13 Oc1ccnc(n1)c2ccco2 271570a_100000750936_100011649813 [0,0,1,1,0,0|2,0,0]=4 1619 B13R2.13 Oc1cncc(c1)c2ccco2 271570a_100000750936_100000754920 [0,0,1,1,0,0|1,0,0]=3 1620 B13R2.13 Oc1cncc(c1)c2ccco2 271570a_100010248756_100009814098 [0,0,1,1,0,0|1,0,0]=3 1621 B13R2.13 Oc1cncc(c1)c2cccs2 271570a_100000742291_100000754920 [0,0,1,1,0,0|1,1,0]=4 1622 B13R2.13 Oc1cncc(c1)c2cccs2 271570a_100010248756_100011215356 [0,0,1,1,0,0|1,1,0]=4 1623 B13R2.13 Oc1cncc(c1)c2cnco2 271570a_100010248756_100020591547 [0,0,1,1,0,0|2,0,0]=4 1624 B13R2.13 Oc1cncc(c1)c2ncco2 271570a_100010248756_100011787736 [0,0,1,1,0,0|2,0,0]=4 1625 B13R2.13 Oc1cncc(n1)c2ccco2 271570a_100000750936_100011269956 [0,0,1,1,0,0|2,0,0]=4 1626 B13R2.13 Oc1cnnc(c1)c2ccco2 271570a_100000750936_200010734679 [0,0,1,1,0,0|2,0,0]=4 1627 B13R2.13 Oc1nccc(n1)c2ccco2 271570a_203496583355_100011935169 [0,0,1,1,0,0|2,0,0]=4 1628 B13R2.13 [O-][n+]1cccc(c1)c2ccco2 271570a_100000750936_100009815978 [0,0,1,1,0,0|1,0,1]=4 1629 B13R2.13 [S]c1cccc(c1)c2ccco2 271570a_100000750936_114929384022 [0,0,1,1,0,0|0,1,0]=3 1630 B13R2.13 [S]c1cccc(c1)c2cccs2 271570a_100000742291_114929384022 [0,0,1,1,0,0|0,2,0]=4 1631 B13R2.2091 O=Cc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100000693042 [0,0,1,1,0,0|1,0,1]=4 1632 B13R2.43 C=Cc1cc2cc(ccc2[nH]1)Br 271570a_100011290941_100011012855 [0,0,1,1,0,0|2,0,0]=4 1633 B13R2.43 C=Cc1cc2cc(ccc2s1)Br 271570a_100011290941_200010198765 [0,0,1,1,0,0|1,1,0]=4 1634 B13R2.43 C=Cc1nc2ccc(cc2s1)O 271570a_100011290941_100010063415 [0,0,1,1,0,0|2,0,0]=4 1635 B13R2.43 CCc1cc2cc(ccc2o1)O 271570a_203496583355_200010233821 [0,0,1,1,0,0|0,0,2]=4 1636 B13R2.43 O=Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009820874 [0,0,1,1,0,0|2,0,0]=4 1637 B13R2.43 O=Cc1cc2cc(ccc2o1)O 271570a_203496583355_100000755920 [0,0,1,1,0,0|1,0,0]=3 1638 B13R2.43 O=Cc1cc2cc(ccc2s1)O 271570a_203496583355_100010238522 [0,0,1,1,0,0|1,1,0]=4 1639 B13R2.43 OCc1cc2cc(ccc2o1)O 271570a_203496583355_100011934623 [0,0,1,1,0,0|1,0,1]=4 1640 B13R2.435 C=C(C)c1cc2ccccc2[nH]1 271570a_100000694244_100010232065 [0,0,1,1,0,0|2,0,0]=4 1641 B13R2.435 C=C(C)c1cc2ccccc2o1 271570a_100000694244_100010159458 [0,0,1,1,0,0|1,0,0]=3 1642 B13R2.435 C=C(C)c1cc2ccccc2s1 271570a_100000694244_100009816949 [0,0,1,1,0,0|1,1,0]=4 1643 B13R2.611 C=Cc1ccc(c2c1cco2)O 271570a_100011290941_200020711608 [0,0,1,1,0,0|2,0,0]=4 1644 B13R2.121 C=Cc1c(ccc2c1cc[nH]2)C 271570a_100011290941_100010248896 [0,0,1,1,0,0|2,0,0]=4 1645 B13R2.121 C=Cc1c(ccc2c1cc[nH]2)F 271570a_100011290941_100102525403 [0,0,1,1,0,0|2,0,0]=4 1646 B13R2.292 C=C=Cc1cccc2c1cco2 271570a_100015277604_100000756496 [0,0,1,1,0,0|1,0,1]=4 1647 B13R2.292 CC=Cc1cccc2c1cc[nH]2 271570a_100016259895_100000685724 [0,0,1,1,0,0|2,0,0]=4 1648 B13R2.292 CC=Cc1cccc2c1cco2 271570a_100016259895_100000756496 [0,0,1,1,0,0|1,0,0]=3 1649 B13R2.292 CC=Cc1cccc2c1ccs2 271570a_100016259895_100009816950 [0,0,1,1,0,0|1,1,0]=4 1650 B13R2.292 CC=Cc1cccc2c1cno2 271570a_100016259895_100009818589 [0,0,1,1,0,0|2,0,0]=4 1651 B13R2.292 CC=Cc1cccc2c1nco2 271570a_100016259895_100009816834 [0,0,1,1,0,0|2,0,0]=4 1652 B13R2.292 CC=Cc1nccc2c1cco2 271570a_100016259895_100000041166 [0,0,1,1,0,0|2,0,0]=4 1653 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,0,1,0,1,0|1,0,1]=4 1654 B11R1.159 C=C(C)c1cccc(c1Br)O 271570a_100000694244_100010187914 [0,0,1,0,1,0|2,0,0]=4 1655 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [0,0,1,0,1,0|1,0,1]=4 1656 B11R1.159 C=C(C)c1cccc(c1Cl)O 271570a_100000694244_100000049636 [0,0,1,0,1,0|2,0,0]=4 1657 B11R1.159 C=C(C)c1cccc(c1F)O 271570a_100000694244_100009817021 [0,0,1,0,1,0|2,0,0]=4 1658 B11R1.159 C=C(C)c1cccc(c1N)O 271570a_100000694244_100011934926 [0,0,1,0,1,0|2,0,0]=4 1659 B11R1.159 C=C(C)c1cccc(c1O)O 271570a_100000694244_100009815950 [0,0,1,0,1,0|2,0,0]=4 1660 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [1,0,0,0,1,0|2,0,0]=4 1661 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [1,0,0,0,1,0|2,0,0]=4 1662 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [1,0,0,0,1,0|2,0,0]=4 1663 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [1,0,0,0,1,0|2,0,0]=4 1664 B11R2.1 Oc1cnc2n1cccc2 271570a_203496583355_100011219245 [1,0,0,0,1,0|2,0,0]=4 1665 B11R2.1 Oc1cnn2c1cccc2 271570a_203496583355_100009817726 [1,0,0,0,1,0|2,0,0]=4 1666 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,1,0|1,0,0]=3 1667 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [1,0,0,0,1,0|2,0,0]=4 1668 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,1,0|1,0,0]=3 1669 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [1,0,0,0,1,0|2,0,0]=4 1670 B11R2.1 Oc1csc2c1ccnc2 271570a_203496583355_100009817111 [1,0,0,0,1,0|2,0,0]=4 1671 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [1,0,0,0,1,0|2,0,0]=4 1672 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [1,0,0,0,1,0|2,0,0]=4 1673 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,0,1,0|2,0,0]=4 1674 B11R2.1 Oc1ncn2c1cccc2 271570a_203496583355_100000688344 [1,0,0,0,1,0|2,0,0]=4 1675 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,1,0|1,0,0]=3 1676 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,1,0|1,0,0]=3 1677 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,1,0|1,0,0]=3 1678 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,0,0,0,1,0|2,0,0]=4 1679 B11R2.10 Oc1cn2ccccc2n1 271570a_203496583355_100009819586 [1,0,0,0,1,0|2,0,0]=4 1680 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,0,1,0|2,0,0]=4 1681 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [1,0,0,0,1,0|2,0,0]=4 1682 B11R2.36 Oc1cc2[nH]ccc2cn1 271570a_203496583355_100000089685 [1,0,0,0,1,0|2,0,0]=4 1683 B11R2.36 Oc1cc2cc[nH]c2cn1 271570a_203496583355_100009864809 [1,0,0,0,1,0|2,0,0]=4 1684 B11R2.36 Oc1cc2sccc2cn1 271570a_203496583355_200016184645 [1,0,0,0,1,0|2,0,0]=4 1685 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [1,0,0,0,1,0|1,0,0]=3 1686 B11R2.36 Oc1ccc2[nH]ccc2n1 271570a_203496583355_100000087148 [1,0,0,0,1,0|2,0,0]=4 1687 B11R2.36 Oc1ccc2[nH]cnc2c1 271570a_203496583355_100011265325 [1,0,0,0,1,0|2,0,0]=4 1688 B11R2.36 Oc1ccc2[nH]ncc2c1 271570a_203496583355_100000049815 [1,0,0,0,1,0|2,0,0]=4 1689 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [1,0,0,0,1,0|0,0,1]=3 1690 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [1,0,0,0,1,0|0,0,1]=3 1691 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [1,0,0,0,1,0|1,0,0]=3 1692 B11R2.36 Oc1ccc2cc[nH]c2n1 271570a_203496583355_100009814870 [1,0,0,0,1,0|2,0,0]=4 1693 B11R2.36 Oc1ccc2ccnn2c1 271570a_203496583355_100009820231 [1,0,0,0,1,0|2,0,0]=4 1694 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [1,0,0,0,1,0|1,0,0]=3 1695 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [1,0,0,0,1,0|1,0,0]=3 1696 B11R2.36 Oc1ccc2cn[nH]c2c1 271570a_203496583355_100000049514 [1,0,0,0,1,0|2,0,0]=4 1697 B11R2.36 Oc1ccc2cncn2c1 271570a_203496583355_100009887162 [1,0,0,0,1,0|2,0,0]=4 1698 B11R2.36 Oc1ccc2cnoc2c1 271570a_203496583355_100009817722 [1,0,0,0,1,0|2,0,0]=4 1699 B11R2.36 Oc1ccc2cscc2c1 271570a_203496583355_200010760811 [1,0,0,0,1,0|1,0,0]=3 1700 B11R2.36 Oc1ccc2csnc2c1 271570a_203496583355_100010170880 [1,0,0,0,1,0|2,0,0]=4 1701 B11R2.36 Oc1ccc2nccn2c1 271570a_203496583355_100000746083 [1,0,0,0,1,0|2,0,0]=4 1702 B11R2.36 Oc1ccc2ncoc2c1 271570a_203496583355_100009817590 [1,0,0,0,1,0|2,0,0]=4 1703 B11R2.36 Oc1ccc2ncsc2c1 271570a_203496583355_100009816678 [1,0,0,0,1,0|2,0,0]=4 1704 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [1,0,0,0,1,0|1,0,0]=3 1705 B11R2.36 Oc1ccc2occc2n1 271570a_203496583355_100009851292 [1,0,0,0,1,0|2,0,0]=4 1706 B11R2.36 Oc1ccc2ocnc2c1 271570a_203496583355_100009816175 [1,0,0,0,1,0|2,0,0]=4 1707 B11R2.36 Oc1ccc2oncc2c1 271570a_203496583355_100009817723 [1,0,0,0,1,0|2,0,0]=4 1708 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [1,0,0,0,1,0|1,0,0]=3 1709 B11R2.36 Oc1ccc2sccc2n1 271570a_203496583355_100012000956 [1,0,0,0,1,0|2,0,0]=4 1710 B11R2.36 Oc1ccc2scnc2c1 271570a_203496583355_100010005895 [1,0,0,0,1,0|2,0,0]=4 1711 B11R2.36 Oc1ccn2ccnc2c1 271570a_203496583355_100009816855 [1,0,0,0,1,0|2,0,0]=4 1712 B11R2.36 Oc1ccn2nccc2c1 271570a_203496583355_100000763084 [1,0,0,0,1,0|2,0,0]=4 1713 B11R2.36 Oc1cnc2[nH]ccc2c1 271570a_203496583355_100000760471 [1,0,0,0,1,0|2,0,0]=4 1714 B11R2.36 Oc1cnc2cc[nH]c2c1 271570a_203496583355_100009818992 [1,0,0,0,1,0|2,0,0]=4 1715 B11R2.36 Oc1cnc2sccc2c1 271570a_203496583355_100010135160 [1,0,0,0,1,0|2,0,0]=4 1716 B11R2.106 Oc1cccc2c1CC=C2 271570a_203496583355_100009844718 [1,0,0,0,1,0|0,0,1]=3 1717 B11R2.106 Oc1cccc2c1[nH]cc2 271570a_203496583355_100009813418 [1,0,0,0,1,0|1,0,0]=3 1718 B11R2.106 Oc1cccc2c1[nH]nc2 271570a_203496583355_100009816125 [1,0,0,0,1,0|2,0,0]=4 1719 B11R2.106 Oc1cccc2c1cc[nH]2 271570a_203496583355_100000685724 [1,0,0,0,1,0|1,0,0]=3 1720 B11R2.106 Oc1cccc2c1cco2 271570a_203496583355_100000756496 [1,0,0,0,1,0|1,0,0]=3 1721 B11R2.106 Oc1cccc2c1ccs2 271570a_203496583355_100009816950 [1,0,0,0,1,0|1,0,0]=3 1722 B11R2.106 Oc1cccc2c1cn[nH]2 271570a_203496583355_100000753301 [1,0,0,0,1,0|2,0,0]=4 1723 B11R2.106 Oc1cccc2c1cno2 271570a_203496583355_100009818589 [1,0,0,0,1,0|2,0,0]=4 1724 B11R2.106 Oc1cccc2c1nc[nH]2 271570a_203496583355_100011935113 [1,0,0,0,1,0|2,0,0]=4 1725 B11R2.106 Oc1cccc2c1nco2 271570a_203496583355_100009816834 [1,0,0,0,1,0|2,0,0]=4 1726 B11R2.106 Oc1cccc2c1ncs2 271570a_203496583355_100000726125 [1,0,0,0,1,0|2,0,0]=4 1727 B11R2.106 Oc1cccc2c1occ2 271570a_203496583355_100011935138 [1,0,0,0,1,0|1,0,0]=3 1728 B11R2.106 Oc1cccc2c1ocn2 271570a_203496583355_100000728214 [1,0,0,0,1,0|2,0,0]=4 1729 B11R2.106 Oc1cccc2c1onc2 271570a_203496583355_100000765530 [1,0,0,0,1,0|2,0,0]=4 1730 B11R2.106 Oc1cccc2c1scc2 271570a_203496583355_100000766737 [1,0,0,0,1,0|1,0,0]=3 1731 B11R2.106 Oc1cccc2c1scn2 271570a_203496583355_100010246326 [1,0,0,0,1,0|2,0,0]=4 1732 B11R2.106 Oc1cccc2n1ccn2 271570a_203496583355_100000762677 [1,0,0,0,1,0|2,0,0]=4 1733 B11R2.106 Oc1cccc2n1cnc2 271570a_203496583355_100009817730 [1,0,0,0,1,0|2,0,0]=4 1734 B11R2.106 Oc1cccc2n1ncc2 271570a_203496583355_100009817731 [1,0,0,0,1,0|2,0,0]=4 1735 B11R2.106 Oc1cccn2c1ccn2 271570a_203496583355_100010767162 [1,0,0,0,1,0|2,0,0]=4 1736 B11R2.106 Oc1cccn2c1cnc2 271570a_203496583355_100009857155 [1,0,0,0,1,0|2,0,0]=4 1737 B11R2.106 Oc1cccn2c1ncc2 271570a_203496583355_100011934911 [1,0,0,0,1,0|2,0,0]=4 1738 B11R2.106 Oc1ccnc2c1[nH]cc2 271570a_203496583355_100009863063 [1,0,0,0,1,0|2,0,0]=4 1739 B11R2.106 Oc1ccnc2c1cc[nH]2 271570a_203496583355_100000049914 [1,0,0,0,1,0|2,0,0]=4 1740 B11R2.106 Oc1ccnc2c1ccs2 271570a_203496583355_100009861243 [1,0,0,0,1,0|2,0,0]=4 1741 B11R2.106 Oc1ccnc2c1occ2 271570a_203496583355_100009853057 [1,0,0,0,1,0|2,0,0]=4 1742 B11R2.106 Oc1ccnc2c1scc2 271570a_203496583355_100000723842 [1,0,0,0,1,0|2,0,0]=4 1743 B11R2.106 Oc1cncc2c1[nH]cc2 271570a_203496583355_100000217057 [1,0,0,0,1,0|2,0,0]=4 1744 B11R2.106 Oc1cncc2c1cc[nH]2 271570a_203496583355_100009840476 [1,0,0,0,1,0|2,0,0]=4 1745 B11R2.106 Oc1nccc2c1[nH]cc2 271570a_203496583355_100009816714 [1,0,0,0,1,0|2,0,0]=4 1746 B11R2.106 Oc1nccc2c1cc[nH]2 271570a_203496583355_100000086534 [1,0,0,0,1,0|2,0,0]=4 1747 B11R2.106 Oc1nccc2c1cco2 271570a_203496583355_100000041166 [1,0,0,0,1,0|2,0,0]=4 1748 B11R2.106 Oc1nccc2c1ccs2 271570a_203496583355_100000047778 [1,0,0,0,1,0|2,0,0]=4 1749 B11R2.106 Oc1nccc2c1scc2 271570a_203496583355_100000117209 [1,0,0,0,1,0|2,0,0]=4 1750 B11R2.106 Oc1nccn2c1ccc2 271570a_203496583355_100000094558 [1,0,0,0,1,0|2,0,0]=4 1751 B13R1.19 C=CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210623 [0,0,1,0,0,1|0,0,2]=4 1752 B13R1.19 C=CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210193 [0,0,1,0,0,1|0,0,2]=4 1753 B13R1.19 CC=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210699 [0,0,1,0,0,1|0,0,2]=4 1754 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000185746 [0,0,1,0,0,1|1,0,1]=4 1755 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000185746 [0,0,1,0,0,1|0,0,2]=4 1756 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000185746 [0,0,1,0,0,1|1,0,1]=4 1757 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000185746 [0,0,1,0,0,1|1,0,1]=4 1758 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000185746 [0,0,1,0,0,1|1,0,1]=4 1759 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000185746 [0,0,1,0,0,1|1,0,1]=4