0 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [0,0,0,0,0,0|1,0,1]=2 1 B13R2.32 Cc1c(ccc2c1cccn2)O 271570a_203496583355_200010137439 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.32 Cc1c(ccc2c1nccn2)O 271570a_203496583355_100135414757 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.32 Cc1ccc2cnccc2c1O 271570a_203496583355_100010204589 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.32 Cc1cnc2ccccc2c1O 271570a_203496583355_100000092342 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [0,0,0,0,0,0|2,0,1]=3 8 B13R2.32 Nc1c(ccc2c1cccn2)O 271570a_203496583355_200010235790 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.32 Nc1c(ccc2c1ccnc2)O 271570a_203496583355_100010191621 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.32 Nc1c(cnc2c1cccc2)O 271570a_203496583355_100009995562 [0,0,0,0,0,0|3,0,1]=4 11 B13R2.32 Nc1c(ncc2c1cccc2)O 271570a_203496583355_100000087573 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.32 Nc1ccc2cnccc2c1O 271570a_203496583355_100010245214 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.32 Nc1ccc2ncccc2c1O 271570a_203496583355_200009995563 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.32 Nc1cnc2ccccc2c1O 271570a_203496583355_100012243074 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.32 Nc1ncc2ccccc2c1O 271570a_203496583355_100009994184 [0,0,0,0,0,0|4,0,0]=4 17 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [0,0,0,0,0,0|3,0,1]=4 18 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [0,0,0,0,0,0|3,0,1]=4 19 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [0,0,0,0,0,0|3,0,0]=3 20 B13R2.32 Oc1c(ccc2c1ccnc2)F 271570a_203496583355_100010272212 [0,0,0,0,0,0|4,0,0]=4 21 B13R2.32 Oc1c(ccc2c1cncc2)F 271570a_203496583355_200015767032 [0,0,0,0,0,0|4,0,0]=4 22 B13R2.32 Oc1c(cnc2c1cccc2)Br 271570a_203496583355_200010179490 [0,0,0,0,0,0|4,0,0]=4 23 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [0,0,0,0,0,0|2,0,1]=3 24 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [0,0,0,0,0,0|2,0,1]=3 25 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [0,0,0,0,0,0|2,0,1]=3 26 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [0,0,0,0,0,0|2,0,1]=3 27 B13R2.32 Oc1ccc2cccnc2c1F 271570a_203496583355_100010751467 [0,0,0,0,0,0|3,0,1]=4 28 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100009816563 [0,0,0,0,0,0|3,0,1]=4 29 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100010173343 [0,0,0,0,0,0|3,0,1]=4 30 B13R2.32 Oc1ccc2ccncc2c1O 271570a_203496583355_200010115057 [0,0,0,0,0,0|3,0,1]=4 31 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [0,0,0,0,0,0|3,0,1]=4 32 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,0,0,0|2,0,1]=4 33 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,0,0,0|1,0,1]=3 34 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,0,0,0|0,0,2]=3 35 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [1,0,0,0,0,0|2,0,1]=4 36 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [1,0,0,0,0,0|1,0,2]=4 37 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [1,0,0,0,0,0|2,0,1]=4 38 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [1,0,0,0,0,0|1,0,2]=4 39 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [1,0,0,0,0,0|2,0,1]=4 41 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [1,0,0,0,0,0|1,0,2]=4 42 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [1,0,0,0,0,0|2,0,1]=4 43 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [1,0,0,0,0,0|1,0,2]=4 44 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [1,0,0,0,0,0|1,0,2]=4 45 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [1,0,0,0,0,0|2,0,0]=3 46 B12R2.1081 Oc1cccc2c1cccn2 271570a_203496583355_100011290932 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.1081 Oc1cccc2c1ccnc2 271570a_203496583355_100000186358 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.1081 Oc1cccc2c1cncc2 271570a_203496583355_100000685578 [1,0,0,0,0,0|3,0,0]=4 49 B12R2.1081 Oc1cccc2c1nccc2 271570a_203496583355_100011215545 [1,0,0,0,0,0|3,0,0]=4 50 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [1,0,0,0,0,0|3,0,0]=4 51 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [1,0,0,0,0,0|3,0,0]=4 52 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [1,0,0,0,0,0|3,0,0]=4 53 B14R2.92 C=Cc1ccc2ccccc2c1Br 271570a_100011290941_200010089984 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.92 C=Cc1ccc2ccccc2c1C 271570a_100011290941_100010221197 [0,1,0,0,0,0|2,0,0]=3 55 B14R2.92 C=Cc1ccc2ccccc2c1F 271570a_100011290941_100009832041 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.92 C=Cc1ccc2ccccc2c1N 271570a_100011290941_100009817101 [0,1,0,0,0,0|3,0,0]=4 57 B14R2.92 C=Cc1ccc2ccccc2c1O 271570a_100011290941_100009996032 [0,1,0,0,0,0|3,0,0]=4 58 B14R2.92 C=Cc1ccc2cccnc2c1C 271570a_100011290941_100010214467 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.92 C=Cc1ccc2ncccc2c1C 271570a_100011290941_200010137439 [0,1,0,0,0,0|3,0,0]=4 60 B14R2.92 CNc1ccc2ccccc2c1Br 34a_100000705303_200000210301 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.92 CNc1ccc2ccccc2c1Cl 34a_100000075557_200000210301 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.92 CNc1ccc2ccccc2c1O 34a_100000007060_200000210301 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.92 COc1ccc2ccccc2c1Br 34a_100000183829_200000210301 [0,1,0,0,0,0|2,0,1]=4 64 B14R2.92 COc1ccc2ccccc2c1Br 7a_100000183829_200000210301 [0,1,0,0,0,0|2,0,1]=4 65 B14R2.92 COc1ccc2ccccc2c1C 34a_100009830054_200000210301 [0,1,0,0,0,0|1,0,1]=3 66 B14R2.92 COc1ccc2ccccc2c1C 7a_100009830054_200000210301 [0,1,0,0,0,0|1,0,1]=3 67 B14R2.92 COc1ccc2ccccc2c1Cl 34a_100000029778_200000210301 [0,1,0,0,0,0|2,0,1]=4 68 B14R2.92 COc1ccc2ccccc2c1Cl 7a_100000029778_200000210301 [0,1,0,0,0,0|2,0,1]=4 69 B14R2.92 COc1ccc2ccccc2c1I 34a_100000041551_200000210301 [0,1,0,0,0,0|2,0,1]=4 70 B14R2.92 COc1ccc2ccccc2c1I 7a_100000041551_200000210301 [0,1,0,0,0,0|2,0,1]=4 71 B14R2.92 COc1ccc2ccccc2c1N 34a_100000007056_200000210301 [0,1,0,0,0,0|2,0,1]=4 72 B14R2.92 COc1ccc2ccccc2c1N 7a_100000007056_200000210301 [0,1,0,0,0,0|2,0,1]=4 73 B14R2.92 COc1ccc2ccccc2c1O 271570a_203496583355_100000173347 [0,1,0,0,0,0|2,0,1]=4 74 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200000210301_200010089984 [0,1,0,0,0,0|2,1,0]=4 75 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200010089984_200000210301 [0,1,0,0,0,0|2,1,0]=4 76 B14R2.92 CSc1ccc2ccccc2c1C 62a_100010221197_200000210301 [0,1,0,0,0,0|1,1,0]=3 77 B14R2.92 CSc1ccc2ccccc2c1C 62a_200000210301_100010221197 [0,1,0,0,0,0|1,1,0]=3 78 B14R2.92 CSc1ccc2ccccc2c1F 62a_100009832041_200000210301 [0,1,0,0,0,0|2,1,0]=4 79 B14R2.92 CSc1ccc2ccccc2c1F 62a_200000210301_100009832041 [0,1,0,0,0,0|2,1,0]=4 80 B14R2.92 CSc1ccc2ccccc2c1N 62a_100009817101_200000210301 [0,1,0,0,0,0|2,1,0]=4 81 B14R2.92 CSc1ccc2ccccc2c1O 62a_200000210301_100009996032 [0,1,0,0,0,0|2,1,0]=4 82 B14R2.92 CSc1ccc2cccnc2c1C 62a_200000210301_100010214467 [0,1,0,0,0,0|2,1,0]=4 83 B14R2.92 CSc1ccc2ncccc2c1C 62a_200000210301_200010137439 [0,1,0,0,0,0|2,1,0]=4 84 B14R2.92 CSc1ccc2ncccc2c1C 62a_200010137439_200000210301 [0,1,0,0,0,0|2,1,0]=4 85 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 34a_100009830054_200025704644 [0,1,0,0,0,0|1,0,1]=3 86 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 7a_100009830054_200025704644 [0,1,0,0,0,0|1,0,1]=3 87 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_100010221197_200025704644 [0,1,0,0,0,0|1,1,0]=3 88 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_200025704644_100010221197 [0,1,0,0,0,0|1,1,0]=3 89 B14R2.92 Cc1c(ccc2c1cccn2)S[13CH3] 62a_200010137439_200025704644 [0,1,0,0,0,0|2,1,0]=4 90 B14R2.92 Cc1c(ccc2c1cccn2)S[13CH3] 62a_200025704644_200010137439 [0,1,0,0,0,0|2,1,0]=4 91 B14R2.92 Cc1c(ccc2c1nccc2)S[13CH3] 62a_200025704644_100010214467 [0,1,0,0,0,0|2,1,0]=4 92 B14R2.92 O=Cc1ccc2ccccc2c1O 271570a_203496583355_100009813496 [0,1,0,0,0,0|2,0,0]=3 93 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Br 34a_100000705303_200025704644 [0,1,0,0,0,0|3,0,0]=4 94 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Cl 34a_100000075557_200025704644 [0,1,0,0,0,0|3,0,0]=4 95 B14R2.92 [13CH3]Nc1ccc2ccccc2c1O 34a_100000007060_200025704644 [0,1,0,0,0,0|3,0,0]=4 96 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 34a_100000183829_200025704644 [0,1,0,0,0,0|2,0,1]=4 97 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 7a_100000183829_200025704644 [0,1,0,0,0,0|2,0,1]=4 98 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 34a_100000029778_200025704644 [0,1,0,0,0,0|2,0,1]=4 99 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 7a_100000029778_200025704644 [0,1,0,0,0,0|2,0,1]=4 100 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 34a_100000041551_200025704644 [0,1,0,0,0,0|2,0,1]=4 101 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 7a_100000041551_200025704644 [0,1,0,0,0,0|2,0,1]=4 102 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 34a_100000007056_200025704644 [0,1,0,0,0,0|2,0,1]=4 103 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 7a_100000007056_200025704644 [0,1,0,0,0,0|2,0,1]=4 104 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200010089984_200025704644 [0,1,0,0,0,0|2,1,0]=4 105 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200025704644_200010089984 [0,1,0,0,0,0|2,1,0]=4 106 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_100009832041_200025704644 [0,1,0,0,0,0|2,1,0]=4 107 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_200025704644_100009832041 [0,1,0,0,0,0|2,1,0]=4 108 B14R2.92 [13CH3]Sc1ccc2ccccc2c1N 62a_100009817101_200025704644 [0,1,0,0,0,0|2,1,0]=4 109 B14R2.92 [13CH3]Sc1ccc2ccccc2c1O 62a_200025704644_100009996032 [0,1,0,0,0,0|2,1,0]=4 110 B14R2.203 C=Cc1c(ccc2c1cccc2)Br 271570a_100011290941_100010090040 [0,1,0,0,0,0|2,0,1]=4 111 B14R2.203 C=Cc1c(ccc2c1cccc2)C 271570a_100011290941_100000759710 [0,1,0,0,0,0|2,0,1]=4 112 B14R2.203 C=Cc1c(ccc2c1cccc2)N 271570a_100011290941_100000705303 [0,1,0,0,0,0|2,0,1]=4 113 B14R2.203 C=Cc1c(ccc2c1cccc2)O 271570a_100011290941_100000183829 [0,1,0,0,0,0|1,0,2]=4 114 B14R2.203 CNc1c(ccc2c1cccc2)Br 34a_100009817101_200000210301 [0,1,0,0,0,0|2,0,0]=3 115 B14R2.203 CNc1c(ccc2c1cccc2)C 34a_100000688109_200000210301 [0,1,0,0,0,0|2,0,0]=3 116 B14R2.203 CNc1c(ccc2c1cccc2)Cl 34a_200009860907_200000210301 [0,1,0,0,0,0|2,0,0]=3 117 B14R2.203 CNc1c(ccc2c1cccc2)O 34a_100000007056_200000210301 [0,1,0,0,0,0|1,0,1]=3 118 B14R2.203 CNc1c(ccc2c1cccn2)C 34a_100011933972_200000210301 [0,1,0,0,0,0|3,0,0]=4 119 B14R2.203 CNc1c(ccc2c1nccc2)C 34a_100000065890_200000210301 [0,1,0,0,0,0|3,0,0]=4 120 B14R2.203 CNc1c(cnc2c1cccc2)C 27a_100102657272_100000092342 [0,1,0,0,0,0|3,0,0]=4 121 B14R2.203 COc1c(ccc2c1cccc2)Br 34a_100009996032_200000210301 [0,1,0,0,0,0|2,0,0]=3 122 B14R2.203 COc1c(ccc2c1cccc2)Br 7a_100009996032_200000210301 [0,1,0,0,0,0|2,0,0]=3 123 B14R2.203 COc1c(ccc2c1cccc2)C 34a_100000039261_200000210301 [0,1,0,0,0,0|2,0,0]=3 124 B14R2.203 COc1c(ccc2c1cccc2)C 7a_100000039261_200000210301 [0,1,0,0,0,0|2,0,0]=3 125 B14R2.203 COc1c(ccc2c1cccc2)N 34a_100000007060_200000210301 [0,1,0,0,0,0|2,0,0]=3 126 B14R2.203 COc1c(ccc2c1cccc2)O 271570a_203496583355_100010089960 [0,1,0,0,0,0|1,0,1]=3 127 B14R2.203 COc1c(ccc2c1nccc2)Br 34a_100009816563_200000210301 [0,1,0,0,0,0|3,0,0]=4 128 B14R2.203 COc1c(ccc2c1nccc2)Cl 34a_100000700379_200000210301 [0,1,0,0,0,0|3,0,0]=4 129 B14R2.203 COc1c(ccc2c1nccc2)Cl 7a_100000700379_200000210301 [0,1,0,0,0,0|3,0,0]=4 130 B14R2.203 COc1c(ccc2c1nccc2)O 271570a_203496583355_100010256708 [0,1,0,0,0,0|2,0,1]=4 131 B14R2.203 CSc1c(ccc2c1cccc2)Br 62a_100010090040_200000210301 [0,1,0,0,0,0|2,0,0]=3 132 B14R2.203 CSc1c(ccc2c1cccc2)Br 62a_200000210301_100010090040 [0,1,0,0,0,0|2,0,0]=3 133 B14R2.203 CSc1c(ccc2c1cccc2)C 62a_100000759710_200000210301 [0,1,0,0,0,0|2,0,0]=3 134 B14R2.203 CSc1c(ccc2c1cccc2)C 62a_200000210301_100000759710 [0,1,0,0,0,0|2,0,0]=3 135 B14R2.203 CSc1c(ccc2c1cccc2)N 62a_100000705303_200000210301 [0,1,0,0,0,0|2,0,0]=3 136 B14R2.203 CSc1c(ccc2c1cccc2)N 62a_200000210301_100000705303 [0,1,0,0,0,0|2,0,0]=3 137 B14R2.203 CSc1c(ccc2c1cccc2)O 62a_200000210301_100000183829 [0,1,0,0,0,0|1,0,1]=3 138 B14R2.203 CSc1c(ccc2c1cccn2)N 62a_200000210301_200009995563 [0,1,0,0,0,0|3,0,0]=4 139 B14R2.203 CSc1c(ccc2c1cccn2)N 62a_200009995563_200000210301 [0,1,0,0,0,0|3,0,0]=4 140 B14R2.203 CSc1c(ccc2c1ccnc2)C 62a_100010204589_200000210301 [0,1,0,0,0,0|3,0,0]=4 141 B14R2.203 CSc1c(ccc2c1ccnc2)C 62a_200000210301_100010204589 [0,1,0,0,0,0|3,0,0]=4 142 B14R2.203 CSc1c(ccc2c1ccnc2)F 62a_100010272212_200000210301 [0,1,0,0,0,0|3,0,0]=4 143 B14R2.203 CSc1c(ccc2c1ccnc2)F 62a_200000210301_100010272212 [0,1,0,0,0,0|3,0,0]=4 144 B14R2.203 CSc1c(ccc2c1ccnc2)N 62a_100010245214_200000210301 [0,1,0,0,0,0|3,0,0]=4 145 B14R2.203 CSc1c(ccc2c1ccnc2)N 62a_200000210301_100010245214 [0,1,0,0,0,0|3,0,0]=4 146 B14R2.203 CSc1c(ccc2c1cncc2)F 62a_200000210301_200015767032 [0,1,0,0,0,0|3,0,0]=4 147 B14R2.203 CSc1c(ccc2c1cncc2)F 62a_200015767032_200000210301 [0,1,0,0,0,0|3,0,0]=4 148 B14R2.203 CSc1c(ccc2c1cncc2)O 62a_200000210301_200010115057 [0,1,0,0,0,0|2,0,1]=4 149 B14R2.203 CSc1c(ccc2c1nccc2)O 62a_200000210301_100010173343 [0,1,0,0,0,0|2,0,1]=4 150 B14R2.203 CSc1c(cnc2c1cccc2)Br 62a_200000210301_200010179490 [0,1,0,0,0,0|3,0,0]=4 151 B14R2.203 CSc1c(cnc2c1cccc2)Br 62a_200010179490_200000210301 [0,1,0,0,0,0|3,0,0]=4 152 B14R2.203 CSc1c(cnc2c1cccc2)C 62a_200000210301_100000092342 [0,1,0,0,0,0|3,0,0]=4 153 B14R2.203 CSc1c(cnc2c1cccc2)N 62a_100009995561_200000210301 [0,1,0,0,0,0|3,0,0]=4 154 B14R2.203 CSc1c(cnc2c1cccc2)N 62a_200000210301_100012243074 [0,1,0,0,0,0|3,0,0]=4 155 B14R2.203 CSc1c(ncc2c1cccc2)N 62a_100009994184_200000210301 [0,1,0,0,0,0|3,0,0]=4 156 B14R2.203 CSc1c(ncc2c1cccc2)N 62a_200000210301_100009994184 [0,1,0,0,0,0|3,0,0]=4 157 B14R2.203 Cc1ccc2ccccc2c1N[13CH3] 34a_100000688109_200025704644 [0,1,0,0,0,0|2,0,0]=3 158 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 34a_100000039261_200025704644 [0,1,0,0,0,0|2,0,0]=3 159 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 7a_100000039261_200025704644 [0,1,0,0,0,0|2,0,0]=3 160 B14R2.203 Cc1ccc2ccccc2c1S[13CH3] 62a_100000759710_200025704644 [0,1,0,0,0,0|2,0,0]=3 161 B14R2.203 Cc1ccc2ccccc2c1S[13CH3] 62a_200025704644_100000759710 [0,1,0,0,0,0|2,0,0]=3 162 B14R2.203 Cc1ccc2cccnc2c1N[13CH3] 34a_100000065890_200025704644 [0,1,0,0,0,0|3,0,0]=4 163 B14R2.203 Cc1ccc2cnccc2c1S[13CH3] 62a_100010204589_200025704644 [0,1,0,0,0,0|3,0,0]=4 164 B14R2.203 Cc1ccc2cnccc2c1S[13CH3] 62a_200025704644_100010204589 [0,1,0,0,0,0|3,0,0]=4 165 B14R2.203 Cc1ccc2ncccc2c1N[13CH3] 34a_100011933972_200025704644 [0,1,0,0,0,0|3,0,0]=4 166 B14R2.203 Cc1cnc2ccccc2c1S[13CH3] 62a_200025704644_100000092342 [0,1,0,0,0,0|3,0,0]=4 167 B14R2.203 O=Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010090029 [0,1,0,0,0,0|1,0,2]=4 168 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)Br 34a_100009817101_200025704644 [0,1,0,0,0,0|2,0,0]=3 169 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)Cl 34a_200009860907_200025704644 [0,1,0,0,0,0|2,0,0]=3 170 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)O 34a_100000007056_200025704644 [0,1,0,0,0,0|1,0,1]=3 171 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 34a_100009996032_200025704644 [0,1,0,0,0,0|2,0,0]=3 172 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 7a_100009996032_200025704644 [0,1,0,0,0,0|2,0,0]=3 173 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)N 34a_100000007060_200025704644 [0,1,0,0,0,0|2,0,0]=3 174 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Br 34a_100009816563_200025704644 [0,1,0,0,0,0|3,0,0]=4 175 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 34a_100000700379_200025704644 [0,1,0,0,0,0|3,0,0]=4 176 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 7a_100000700379_200025704644 [0,1,0,0,0,0|3,0,0]=4 177 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)Br 62a_100010090040_200025704644 [0,1,0,0,0,0|2,0,0]=3 178 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)Br 62a_200025704644_100010090040 [0,1,0,0,0,0|2,0,0]=3 179 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)N 62a_100000705303_200025704644 [0,1,0,0,0,0|2,0,0]=3 180 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)N 62a_200025704644_100000705303 [0,1,0,0,0,0|2,0,0]=3 181 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)O 62a_200025704644_100000183829 [0,1,0,0,0,0|1,0,1]=3 182 B14R2.203 [13CH3]Sc1c(ccc2c1cccn2)N 62a_200009995563_200025704644 [0,1,0,0,0,0|3,0,0]=4 183 B14R2.203 [13CH3]Sc1c(ccc2c1cccn2)N 62a_200025704644_200009995563 [0,1,0,0,0,0|3,0,0]=4 184 B14R2.203 [13CH3]Sc1c(ccc2c1ccnc2)F 62a_100010272212_200025704644 [0,1,0,0,0,0|3,0,0]=4 185 B14R2.203 [13CH3]Sc1c(ccc2c1ccnc2)F 62a_200025704644_100010272212 [0,1,0,0,0,0|3,0,0]=4 186 B14R2.203 [13CH3]Sc1c(ccc2c1ccnc2)N 62a_100010245214_200025704644 [0,1,0,0,0,0|3,0,0]=4 187 B14R2.203 [13CH3]Sc1c(ccc2c1ccnc2)N 62a_200025704644_100010245214 [0,1,0,0,0,0|3,0,0]=4 188 B14R2.203 [13CH3]Sc1c(ccc2c1cncc2)F 62a_200015767032_200025704644 [0,1,0,0,0,0|3,0,0]=4 189 B14R2.203 [13CH3]Sc1c(ccc2c1cncc2)F 62a_200025704644_200015767032 [0,1,0,0,0,0|3,0,0]=4 190 B14R2.203 [13CH3]Sc1c(ccc2c1cncc2)O 62a_200025704644_200010115057 [0,1,0,0,0,0|2,0,1]=4 191 B14R2.203 [13CH3]Sc1c(ccc2c1nccc2)O 62a_200025704644_100010173343 [0,1,0,0,0,0|2,0,1]=4 192 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)Br 62a_200010179490_200025704644 [0,1,0,0,0,0|3,0,0]=4 193 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)Br 62a_200025704644_200010179490 [0,1,0,0,0,0|3,0,0]=4 194 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)N 62a_100009995561_200025704644 [0,1,0,0,0,0|3,0,0]=4 195 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)N 62a_200025704644_100012243074 [0,1,0,0,0,0|3,0,0]=4 196 B14R2.203 [13CH3]Sc1c(ncc2c1cccc2)N 62a_100009994184_200025704644 [0,1,0,0,0,0|3,0,0]=4 197 B14R2.203 [13CH3]Sc1c(ncc2c1cccc2)N 62a_200025704644_100009994184 [0,1,0,0,0,0|3,0,0]=4 198 B14R2.4513 CN1C(=O)COc2c1cc(cc2)O 271570a_203496583355_100010196913 [0,1,0,0,0,0|1,0,1]=3 199 B14R2.4513 Cn1c(=O)ccc2c1cc(cc2)O 271570a_203496583355_200010167779 [0,1,0,0,0,0|0,0,0]=1 200 B14R2.4513 Cn1c(=O)cnc2c1cc(cc2)O 271570a_203496583355_100010221214 [0,1,0,0,0,0|1,0,0]=2 201 B14R2.7724 Cn1c(=O)cc(c2c1cccc2)O 271570a_203496583355_100000041018 [0,1,0,0,0,0|0,0,0]=1 202 B14R2.8038 Cc1c(ccc2c1nccc2O)F 271570a_203496583355_100011516163 [0,1,0,0,0,0|3,0,0]=4 203 B14R2.8038 Cc1ccc2c(ccnc2c1C)O 271570a_203496583355_100011310510 [0,1,0,0,0,0|3,0,0]=4 204 B14R2.8188 Cc1c(c(nc2c1cccc2)O)O 271570a_203496583355_100009820873 [0,1,0,0,0,0|2,0,1]=4 205 B14R2.29369 CN1C(=O)CCc2c1ccc(c2)O 271570a_203496583355_100000699942 [0,1,0,0,0,0|0,0,2]=3 206 B14R2.29369 CN1C(=O)COc2c1ccc(c2)O 271570a_203496583355_100010240413 [0,1,0,0,0,0|1,0,1]=3 207 B14R2.29369 O=C1C=Cc2cc(ccc2C1=O)O 271570a_203496583355_100009812793 [0,1,0,0,0,0|2,0,0]=3 208 B14R2.29369 Oc1ccc2c(c(ccc2c1)O)F 271570a_203496583355_100010730138 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.25 C=CCSc1cccc(=O)n1C 62a_100000210623_100000726605 [0,0,1,0,0,0|1,0,1]=3 210 B12R1.25 C=CCSc1cccc(=O)n1C 62a_100000726605_100000210623 [0,0,1,0,0,0|1,0,1]=3 211 B12R1.25 Cn1c(cccc1=O)SCC=O 62a_100000726605_200015260668 [0,0,1,0,0,0|2,0,1]=4 212 B12R1.25 Cn1c(cccc1=O)SCC=O 62a_200015260668_100000726605 [0,0,1,0,0,0|2,0,1]=4 213 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [0,0,1,0,0,0|1,0,2]=4 214 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,0,1,0,0,0|1,0,0]=2 215 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [0,0,1,0,0,0|2,0,0]=3 216 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [0,0,1,0,0,0|2,0,0]=3 217 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [0,0,1,0,0,0|2,0,0]=3 218 B12R1.27 CCC(=O)C=Cc1cncnc1 6a_100000749868_100000211110 [0,0,1,0,0,0|3,0,0]=4 219 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,0,1,0,0,0|1,0,2]=4 220 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,0,1,0,0,0|1,0,2]=4 221 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,0,1,0,0,0|2,0,1]=4 222 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,0,1,0,0,0|2,0,1]=4 223 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,0,1,0,0,0|2,0,1]=4 224 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,0,1,0,0,0|2,0,1]=4 225 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,0,1,0,0,0|2,0,1]=4 226 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,0,1,0,0,0|2,0,1]=4 227 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,0,1,0,0,0|2,0,1]=4 228 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,0,1,0,0,0|2,0,1]=4 229 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,0,1,0,0,0|2,0,1]=4 230 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,0,1,0,0,0|3,0,0]=4 231 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,0,1,0,0,0|0,0,2]=3 232 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,0,1,0,0,0|0,0,0]=1 233 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,0,1,0,0,0|0,0,0]=1 234 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,0,1,0,0,0|1,0,0]=2 235 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,0,1,0,0,0|1,0,0]=2 236 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [0,0,1,0,0,0|1,0,0]=2 237 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [0,0,1,0,0,0|1,0,0]=2 238 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [0,0,1,0,0,0|1,0,0]=2 239 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,0,1,0,0,0|0,0,2]=3 240 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,0,1,0,0,0|0,0,2]=3 241 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,0,1,0,0,0|0,0,2]=3 242 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,0,1,0,0,0|0,0,2]=3 243 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,0,1,0,0,0|1,0,2]=4 244 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,0,1,0,0,0|1,0,2]=4 245 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,0,1,0,0,0|1,0,2]=4 246 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,0,1,0,0,0|1,0,2]=4 247 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,0,1,0,0,0|1,0,2]=4 248 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,0,1,0,0,0|1,0,2]=4 249 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,0,1,0,0,0|1,0,2]=4 250 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,0,1,0,0,0|1,0,2]=4 251 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,0,1,0,0,0|1,0,2]=4 252 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,0,1,0,0,0|1,0,2]=4 253 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,0,1,0,0,0|1,0,1]=3 254 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,0,1,0,0,0|1,0,1]=3 255 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,0,1,0,0,0|1,0,1]=3 256 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,0,1,0,0,0|1,0,1]=3 257 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,0,1,0,0,0|1,0,1]=3 258 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,0,1,0,0,0|1,0,1]=3 259 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,0,1,0,0,0|1,0,1]=3 260 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,0,1,0,0,0|2,0,1]=4 261 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,0,1,0,0,0|2,0,1]=4 262 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,0,1,0,0,0|2,0,1]=4 263 B12R1.27 CNC(=O)COc1cccnc1 11a_106832991635_100015207166 [0,0,1,0,0,0|2,0,1]=4 264 B12R1.27 CNC(=O)COc1cccnc1 1626a_100102657272_100015207166 [0,0,1,0,0,0|2,0,1]=4 265 B12R1.27 CNC(=O)COc1cccnc1 240690a_100102657272_100015207166 [0,0,1,0,0,0|2,0,1]=4 266 B12R1.27 CNC(=O)COc1cccnc1 34a_100000210849_100000183359 [0,0,1,0,0,0|2,0,1]=4 267 B12R1.27 CNC(=O)COc1cccnc1 527a_100102657272_100015207166 [0,0,1,0,0,0|2,0,1]=4 268 B12R1.27 CNC(=O)COc1cccnc1 7a_100000210849_100000183359 [0,0,1,0,0,0|2,0,1]=4 269 B12R1.27 CNC(=O)COc1ccncc1 34a_100000212176_100000183359 [0,0,1,0,0,0|2,0,1]=4 270 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,0,1,0,0,0|1,0,1]=3 271 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,0,1,0,0,0|1,0,1]=3 272 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,0,1,0,0,0|1,0,1]=3 273 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,0,1,0,0,0|1,0,1]=3 274 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,0,1,0,0,0|1,0,1]=3 275 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,0,1,0,0,0|1,0,1]=3 276 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,0,1,0,0,0|2,0,1]=4 277 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,0,1,0,0,0|2,0,1]=4 278 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,0,1,0,0,0|2,0,1]=4 279 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,0,1,0,0,0|2,0,1]=4 280 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,0,1,0,0,0|2,0,1]=4 281 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000183359_100000210063 [0,0,1,0,0,0|2,0,1]=4 282 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000210063_100000183359 [0,0,1,0,0,0|2,0,1]=4 283 B12R1.27 CNC(=O)CSc1ccncc1 11a_106832991635_100000211328 [0,0,1,0,0,0|2,0,1]=4 284 B12R1.27 CNC(=O)CSc1ccncc1 1626a_100102657272_100000211328 [0,0,1,0,0,0|2,0,1]=4 285 B12R1.27 CNC(=O)CSc1ccncc1 240690a_100102657272_100000211328 [0,0,1,0,0,0|2,0,1]=4 286 B12R1.27 CNC(=O)CSc1ccncc1 527a_100102657272_100000211328 [0,0,1,0,0,0|2,0,1]=4 287 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000183359_100000728582 [0,0,1,0,0,0|2,0,1]=4 288 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000728582_100000183359 [0,0,1,0,0,0|2,0,1]=4 289 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,0,1,0,0,0|1,0,1]=3 290 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,0,1,0,0,0|1,0,1]=3 291 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,0,1,0,0,0|1,0,1]=3 292 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,0,1,0,0,0|1,0,1]=3 293 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,0,1,0,0,0|1,0,1]=3 294 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,0,1,0,0,0|1,0,1]=3 295 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,0,1,0,0,0|2,0,1]=4 296 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,0,1,0,0,0|2,0,1]=4 297 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,0,1,0,0,0|2,0,1]=4 298 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,0,1,0,0,0|2,0,1]=4 299 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,0,1,0,0,0|2,0,1]=4 300 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [0,0,1,0,0,0|2,0,1]=4 301 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [0,0,1,0,0,0|2,0,1]=4 302 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [0,0,1,0,0,0|2,0,1]=4 303 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [0,0,1,0,0,0|2,0,1]=4 304 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [0,0,1,0,0,0|2,0,1]=4 305 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [0,0,1,0,0,0|2,0,1]=4 306 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100000210450_106832991635 [0,0,1,0,0,0|2,0,1]=4 307 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100102657272_100000210450 [0,0,1,0,0,0|2,0,1]=4 308 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100000210450_100102657272 [0,0,1,0,0,0|2,0,1]=4 309 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100102657272_100000210450 [0,0,1,0,0,0|2,0,1]=4 310 B12R1.27 CNC(=O)NCc1ccncc1 512a_106832991638_100000210450 [0,0,1,0,0,0|2,0,1]=4 311 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,0,1,0,0,0|2,0,0]=3 312 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,0,1,0,0,0|2,0,0]=3 313 B12R1.27 CNC(=O)NNc1ccccn1 273464a_100102657272_100000183288 [0,0,1,0,0,0|3,0,0]=4 314 B12R1.27 CNC(=O)NNc1ccccn1 512a_106832991638_100000183288 [0,0,1,0,0,0|3,0,0]=4 315 B12R1.27 CNC(=O)NNc1cccnc1 273464a_100102657272_100000728903 [0,0,1,0,0,0|3,0,0]=4 316 B12R1.27 CNC(=O)NNc1cccnc1 512a_106832991638_100000728903 [0,0,1,0,0,0|3,0,0]=4 317 B12R1.27 CNC(=O)NNc1ccncc1 273464a_100102657272_100000698918 [0,0,1,0,0,0|3,0,0]=4 318 B12R1.27 CNC(=O)NNc1ccncc1 512a_106832991638_100000698918 [0,0,1,0,0,0|3,0,0]=4 319 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,0,1,0,0,0|2,0,1]=4 320 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,0,1,0,0,0|2,0,1]=4 321 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,0,1,0,0,0|2,0,1]=4 322 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,0,1,0,0,0|2,0,1]=4 323 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,0,1,0,0,0|2,0,1]=4 324 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,0,1,0,0,0|2,0,0]=3 325 B12R1.27 O=C(C=Cc1ccccn1)CF 1458a_100000740811_100015361967 [0,0,1,0,0,0|3,0,0]=4 326 B12R1.27 O=C(C=Cc1cccnc1)CF 1458a_100000735890_100015361967 [0,0,1,0,0,0|3,0,0]=4 327 B12R1.27 O=C(C=Cc1ccncc1)CF 1458a_100000682801_100015361967 [0,0,1,0,0,0|3,0,0]=4 328 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [0,0,1,0,0,0|1,0,2]=4 329 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,0,1,0,0,0|1,0,0]=2 330 B12R1.34 C=CC(=O)C(C)c1cnccn1 1458a_100000185746_200000703233 [0,0,1,0,0,0|3,0,0]=4 331 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,0,1,0,0,0|0,0,0]=1 332 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,0,1,0,0,0|0,0,0]=1 333 B12R1.34 C=CC(C)N(C)c1ccccc1 269982a_100000210012_100011215867 [0,0,1,0,0,0|1,0,1]=3 334 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,0,1,0,0,0|2,0,1]=4 335 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,0,1,0,0,0|1,0,2]=4 336 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [0,0,1,0,0,0|0,0,2]=3 337 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [0,0,1,0,0,0|0,0,2]=3 338 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [0,0,1,0,0,0|0,0,2]=3 339 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,0,1,0,0,0|1,0,2]=4 340 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,0,1,0,0,0|1,0,1]=3 341 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,0,1,0,0,0|1,0,1]=3 342 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,0,1,0,0,0|2,0,1]=4 343 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,0,1,0,0,0|2,0,1]=4 344 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,0,1,0,0,0|2,0,1]=4 345 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,0,1,0,0,0|2,0,1]=4 346 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,0,1,0,0,0|2,0,1]=4 347 B12R1.77 C=Cc1ccccc1C(C)C#N 271570a_100011290941_200010232107 [0,0,1,0,0,0|2,0,1]=4 348 B12R1.77 C=Cc1ccccc1C(C)NC 271570a_100011290941_100000692418 [0,0,1,0,0,0|3,0,0]=4 349 B12R1.121 C=CCOc1ccccc1NC 34a_100000033821_100015514636 [0,0,1,0,0,0|2,0,1]=4 350 B12R1.121 C=CCSc1ccccc1NC 2230a_100000198565_200000210301 [0,0,1,0,0,0|2,0,1]=4 351 B12R1.121 C=CCSc1ccccc1NC 62a_100000210623_100020606079 [0,0,1,0,0,0|2,0,1]=4 352 B12R1.121 C=CCSc1ccccc1NC 62a_100020606079_100000210623 [0,0,1,0,0,0|2,0,1]=4 353 B12R1.121 C=CCSc1ccccc1NC 7a_100000198565_200000210301 [0,0,1,0,0,0|2,0,1]=4 354 B12R1.121 C=CCSc1ccccc1N[13CH3] 2230a_100000198565_200025704644 [0,0,1,0,0,0|2,0,1]=4 355 B12R1.121 C=CCSc1ccccc1N[13CH3] 7a_100000198565_200025704644 [0,0,1,0,0,0|2,0,1]=4 356 B12R1.121 CCc1ccccc1NCC=O 2230a_100000212081_200015260668 [0,0,1,0,0,0|2,0,1]=4 357 B12R1.121 CCc1ccccc1NCC=O 34a_100000212081_200009817547 [0,0,1,0,0,0|2,0,1]=4 358 B12R1.121 CCc1ccccc1NCC=O 7a_100000212081_200015260668 [0,0,1,0,0,0|2,0,1]=4 359 B12R1.121 CCc1ccccc1OCC=O 34a_100000210936_200009817547 [0,0,1,0,0,0|2,0,1]=4 360 B12R1.121 CCc1ccccc1OCC=O 7a_100000210936_200015260668 [0,0,1,0,0,0|2,0,1]=4 361 B12R1.121 CCc1ccccc1SCC=O 62a_100011215823_200015260668 [0,0,1,0,0,0|2,0,1]=4 362 B12R1.121 CCc1ccccc1SCC=O 62a_200015260668_100011215823 [0,0,1,0,0,0|2,0,1]=4 363 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [0,0,1,0,0,0|1,0,1]=3 364 B12R1.121 CNc1ccccc1SCC=O 62a_100020606079_200015260668 [0,0,1,0,0,0|1,0,1]=3 365 B12R1.121 CNc1ccccc1SCC=O 62a_200015260668_100020606079 [0,0,1,0,0,0|1,0,1]=3 366 B12R1.121 CNc1cccnc1SCC=O 62a_200015260668_200011806188 [0,0,1,0,0,0|2,0,1]=4 367 B12R1.121 CNc1ccncc1SCC=O 62a_100010069531_200015260668 [0,0,1,0,0,0|2,0,1]=4 368 B12R1.121 CNc1ccncc1SCC=O 62a_200015260668_100010069531 [0,0,1,0,0,0|2,0,1]=4 369 B12R1.121 CNc1ncccc1SCC=O 62a_100000700899_200015260668 [0,0,1,0,0,0|2,0,1]=4 370 B12R1.121 CNc1ncccc1SCC=O 62a_200015260668_100000700899 [0,0,1,0,0,0|2,0,1]=4 371 B12R1.121 COc1ccccc1NCC=O 34a_100000210025_200009817547 [0,0,1,0,0,0|2,0,1]=4 372 B12R1.121 COc1ccccc1OCC=O 34a_100000210385_200009817547 [0,0,1,0,0,0|2,0,1]=4 373 B12R1.121 COc1ccccc1SCC=O 62a_100000210334_200015260668 [0,0,1,0,0,0|2,0,1]=4 374 B12R1.121 COc1ccccc1SCC=O 62a_200015260668_100000210334 [0,0,1,0,0,0|2,0,1]=4 375 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200000210301_200016268969 [0,0,1,0,0,0|1,0,0]=2 376 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200016268969_200000210301 [0,0,1,0,0,0|1,0,0]=2 377 B12R1.121 CSc1ccccc1CCC=O 62a_100011713448_200000210301 [0,0,1,0,0,0|1,0,2]=4 378 B12R1.121 CSc1ccccc1CCC=O 62a_200000210301_100011713448 [0,0,1,0,0,0|1,0,2]=4 379 B12R1.121 CSc1ccccc1NCC=O 34a_100000211160_200009817547 [0,0,1,0,0,0|2,0,1]=4 380 B12R1.121 CSc1ccccc1OCC=O 34a_100011216402_200009817547 [0,0,1,0,0,0|2,0,1]=4 381 B12R1.121 CSc1ccccc1SCC=O 62a_100011217816_200015260668 [0,0,1,0,0,0|2,0,1]=4 382 B12R1.121 CSc1ccccc1SCC=O 62a_200015260668_100011217816 [0,0,1,0,0,0|2,0,1]=4 383 B12R1.121 NNc1ccccc1SCC=O 62a_100000241748_200015260668 [0,0,1,0,0,0|2,0,1]=4 384 B12R1.121 NNc1ccccc1SCC=O 62a_200015260668_100000241748 [0,0,1,0,0,0|2,0,1]=4 385 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200016268969_200025704644 [0,0,1,0,0,0|1,0,0]=2 386 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200025704644_200016268969 [0,0,1,0,0,0|1,0,0]=2 387 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_100011713448_200025704644 [0,0,1,0,0,0|1,0,2]=4 388 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_200025704644_100011713448 [0,0,1,0,0,0|1,0,2]=4 389 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [0,0,1,0,0,0|2,0,1]=4 390 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [0,0,1,0,0,0|2,0,1]=4 391 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [0,0,1,0,0,0|2,0,1]=4 392 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [0,0,1,0,0,0|2,0,1]=4 393 B12R1.124 CC(=O)N(C)c1ccccc1Br 11a_100020606079_100015343762 [0,0,1,0,0,0|1,0,1]=3 394 B12R1.124 CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100015343762 [0,0,1,0,0,0|1,0,1]=3 395 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [0,0,1,0,0,0|0,0,2]=3 396 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [0,0,1,0,0,0|0,0,2]=3 397 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [0,0,1,0,0,0|0,0,2]=3 398 B12R1.124 CC(=O)N(C)c1ccccc1Cl 11a_100000219374_100015343762 [0,0,1,0,0,0|1,0,1]=3 399 B12R1.124 CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100015343762 [0,0,1,0,0,0|1,0,1]=3 400 B12R1.124 CC(=O)N(C)c1ccccc1F 11a_100000220357_100015343762 [0,0,1,0,0,0|1,0,1]=3 401 B12R1.124 CC(=O)N(C)c1ccccc1F 1626a_100000220357_100015343762 [0,0,1,0,0,0|1,0,1]=3 402 B12R1.124 CC(=O)N(C)c1ccccc1F 22a_100000220357_100000070787 [0,0,1,0,0,0|1,0,1]=3 403 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [0,0,1,0,0,0|1,0,1]=3 404 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [0,0,1,0,0,0|1,0,1]=3 405 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [0,0,1,0,0,0|2,0,1]=4 406 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [0,0,1,0,0,0|2,0,1]=4 407 B12R1.385 C=CCSc1ccc(=O)n(c1)C 62a_100000210623_100011245003 [0,0,1,0,0,0|1,0,1]=3 408 B12R1.385 C=CCSc1ccc(=O)n(c1)C 62a_100011245003_100000210623 [0,0,1,0,0,0|1,0,1]=3 409 B12R1.385 C=CCSc1ccc(=O)n(n1)C 62a_100000210623_100009820752 [0,0,1,0,0,0|2,0,1]=4 410 B12R1.385 C=CCSc1ccc(=O)n(n1)C 62a_100009820752_100000210623 [0,0,1,0,0,0|2,0,1]=4 411 B12R1.385 C=CCSc1cn(c(=O)cn1)C 62a_100000210623_100009843036 [0,0,1,0,0,0|2,0,1]=4 412 B12R1.385 C=CCSc1cn(c(=O)cn1)C 62a_100009843036_100000210623 [0,0,1,0,0,0|2,0,1]=4 413 B12R1.385 C=CCSc1cnc(=O)n(c1)C 62a_100000210623_100009819886 [0,0,1,0,0,0|2,0,1]=4 414 B12R1.385 C=CCSc1cnc(=O)n(c1)C 62a_100009819886_100000210623 [0,0,1,0,0,0|2,0,1]=4 415 B12R1.385 Cn1cc(ccc1=O)SCC=O 62a_100011245003_200015260668 [0,0,1,0,0,0|2,0,1]=4 416 B12R1.385 Cn1cc(ccc1=O)SCC=O 62a_200015260668_100011245003 [0,0,1,0,0,0|2,0,1]=4 417 B12R1.652 C=Cc1c(ccc(c1C)F)C=O 271570a_100011290941_100009872231 [0,0,1,0,0,0|3,0,0]=4 418 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,0,1,0|2,0,1]=4 419 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,0,0,0,1,0|1,0,1]=3 420 B12R2.82 Cc1c(ccc2c1[nH]cc2)O 271570a_203496583355_100009816929 [0,0,0,0,1,0|2,0,1]=4 421 B12R2.82 Cc1c(ccc2c1cc[nH]2)O 271570a_203496583355_100010731972 [0,0,0,0,1,0|2,0,1]=4 422 B11R1.13 C=C=Cc1cccc(=O)n1C 271570a_100015277604_100000726605 [1,0,1,0,0,0|0,0,1]=3 423 B11R1.13 C=C=Cc1cccn(c1=O)C 271570a_100015277604_100000687173 [1,0,1,0,0,0|1,0,1]=4 424 B11R1.13 CC=Cc1cccc(=O)n1C 271570a_100016259895_100000726605 [1,0,1,0,0,0|0,0,1]=3 425 B11R1.13 CC=Cc1cccn(c1=O)C 271570a_100016259895_100000687173 [1,0,1,0,0,0|1,0,1]=4 426 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [1,0,1,0,0,0|1,0,1]=4 427 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [1,0,1,0,0,0|1,0,1]=4 428 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [1,0,1,0,0,0|1,0,1]=4 429 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [1,0,1,0,0,0|1,0,1]=4 430 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [1,0,1,0,0,0|1,0,1]=4 431 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [1,0,1,0,0,0|1,0,1]=4 432 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [1,0,1,0,0,0|1,0,1]=4 433 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [1,0,1,0,0,0|1,0,1]=4 434 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [1,0,1,0,0,0|1,0,1]=4 435 B11R1.24 C=CCOc1cccc(=O)[nH]1 34a_100000033347_100015514636 [1,0,1,0,0,0|1,0,1]=4 436 B11R1.24 C=CCSc1cccc(=O)[nH]1 62a_100000210623_100000752884 [1,0,1,0,0,0|1,0,1]=4 437 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,0,1,0,0,0|1,0,1]=4 438 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [1,0,1,0,0,0|2,0,0]=4 439 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [1,0,1,0,0,0|0,0,1]=3 440 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [1,0,1,0,0,0|0,0,1]=3 441 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [1,0,1,0,0,0|0,0,1]=3 442 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [1,0,1,0,0,0|0,0,1]=3 443 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [1,0,1,0,0,0|0,0,1]=3 444 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [1,0,1,0,0,0|0,0,1]=3 445 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,0,1,0,0,0|1,0,1]=4 446 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,0,1,0,0,0|1,0,1]=4 447 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,0,1,0,0,0|1,0,1]=4 448 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [1,0,1,0,0,0|1,0,1]=4 449 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [1,0,1,0,0,0|1,0,1]=4 450 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [1,0,1,0,0,0|0,0,1]=3 451 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [1,0,1,0,0,0|0,0,1]=3 452 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,0,1,0,0,0|1,0,1]=4 453 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [1,0,1,0,0,0|1,0,1]=4 454 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [1,0,1,0,0,0|1,0,1]=4 455 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [1,0,1,0,0,0|0,0,2]=4 456 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,1,0,0,0|0,0,0]=2 457 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,1,0,0,0|1,0,0]=3 458 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,0,1,0,0,0|1,0,0]=3 459 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,0,1,0,0,0|1,0,0]=3 460 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,1,0,0,0|0,0,2]=4 461 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,1,0,0,0|0,0,2]=4 462 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,0,1,0,0,0|1,0,1]=4 463 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,0,1,0,0,0|1,0,1]=4 464 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,0,1,0,0,0|1,0,1]=4 465 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,0,1,0,0,0|1,0,1]=4 466 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,0,1,0,0,0|1,0,1]=4 467 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,0,1,0,0,0|1,0,1]=4 468 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [1,0,1,0,0,0|2,0,0]=4 469 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [1,0,1,0,0,0|1,0,1]=4 470 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,1,0,0,0|0,0,2]=4 471 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,1,0,0,0|1,0,1]=4 472 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,0,1,0,0,0|1,0,1]=4 473 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,0,1,0,0,0|1,0,1]=4 474 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,0,1,0,0,0|1,0,1]=4 475 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,0,1,0,0,0|1,0,1]=4 476 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [1,0,1,0,0,0|0,0,2]=4 477 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,1,0,0,0|0,0,0]=2 478 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,1,0,0,0|1,0,0]=3 479 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,0,1,0,0,0|1,0,0]=3 480 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,0,1,0,0,0|1,0,0]=3 481 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,1,0,0,0|0,0,2]=4 482 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,0,1,0,0,0|1,0,1]=4 483 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,0,1,0,0,0|1,0,1]=4 484 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [1,0,1,0,0,0|0,0,1]=3 485 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [1,0,1,0,0,0|0,0,1]=3 486 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [1,0,1,0,0,0|0,0,1]=3 487 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [1,0,1,0,0,0|0,0,1]=3 488 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [1,0,1,0,0,0|0,0,1]=3 489 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [1,0,1,0,0,0|0,0,1]=3 490 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [1,0,1,0,0,0|0,0,1]=3 491 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [1,0,1,0,0,0|0,0,1]=3 492 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [1,0,1,0,0,0|0,0,1]=3 493 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [1,0,1,0,0,0|1,0,1]=4 494 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [1,0,1,0,0,0|1,0,1]=4 495 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [1,0,1,0,0,0|1,0,1]=4 496 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,0,1,0,0,0|1,0,1]=4 497 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [1,0,1,0,0,0|0,0,1]=3 498 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [1,0,1,0,0,0|0,0,1]=3 499 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [1,0,1,0,0,0|0,0,1]=3 500 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,0,1,0,0,0|1,0,1]=4 501 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,0,1,0,0,0|1,0,1]=4 502 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,0,1,0,0,0|1,0,0]=3 503 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [1,0,1,0,0,0|2,0,0]=4 504 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [1,0,1,0,0,0|2,0,0]=4 505 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [1,0,1,0,0,0|2,0,0]=4 506 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,1,0,0,0|0,0,0]=2 507 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,1,0,0,0|0,0,0]=2 508 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,0,1,0,0,0|0,0,2]=4 509 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,0,1,0,0,0|0,0,2]=4 510 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,0,1,0,0,0|0,0,2]=4 511 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,0,1,0,0,0|0,0,2]=4 512 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,0,1,0,0,0|1,0,1]=4 513 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,0,1,0,0,0|1,0,1]=4 514 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,0,1,0,0,0|1,0,1]=4 515 B11R1.41 C/C=C/c1ccccc1OC 34a_200000189419_200000210301 [1,0,1,0,0,0|1,0,1]=4 516 B11R1.41 C/C=C/c1ccccc1OC 7a_200000189419_200000210301 [1,0,1,0,0,0|1,0,1]=4 517 B11R1.41 C/C=C/c1ccccc1O[13CH3] 34a_200000189419_200025704644 [1,0,1,0,0,0|1,0,1]=4 518 B11R1.41 C/C=C/c1ccccc1O[13CH3] 7a_200000189419_200025704644 [1,0,1,0,0,0|1,0,1]=4 519 B11R1.41 C=C=Cc1ccccc1CC 271570a_100015277604_100011215823 [1,0,1,0,0,0|1,0,1]=4 520 B11R1.41 C=C=Cc1ccccc1NC 271570a_100015277604_100020606079 [1,0,1,0,0,0|0,0,1]=3 521 B11R1.41 C=C=Cc1ccccc1NN 271570a_100015277604_100000241748 [1,0,1,0,0,0|1,0,1]=4 522 B11R1.41 C=C=Cc1ccccc1OC 271570a_100015277604_100000174000 [1,0,1,0,0,0|1,0,1]=4 523 B11R1.41 C=C=Cc1ccccc1SC 271570a_100015277604_100011217816 [1,0,1,0,0,0|1,0,1]=4 524 B11R1.41 C=C=Cc1cccnc1NC 271570a_100015277604_100000700899 [1,0,1,0,0,0|1,0,1]=4 525 B11R1.41 C=C=Cc1cnccc1NC 271570a_100015277604_100010069531 [1,0,1,0,0,0|1,0,1]=4 526 B11R1.41 C=C=Cc1ncccc1NC 271570a_100015277604_200011806188 [1,0,1,0,0,0|1,0,1]=4 527 B11R1.41 C=CCc1ccccc1C=C 271570a_100011290941_100009828059 [1,0,1,0,0,0|2,0,0]=4 528 B11R1.41 C=CCc1ccccc1NC 2230a_200138433279_200000210301 [1,0,1,0,0,0|0,0,1]=3 529 B11R1.41 C=CCc1ccccc1NC 34a_200138433279_200000210301 [1,0,1,0,0,0|0,0,1]=3 530 B11R1.41 C=CCc1ccccc1N[13CH3] 2230a_200138433279_200025704644 [1,0,1,0,0,0|0,0,1]=3 531 B11R1.41 C=CCc1ccccc1N[13CH3] 34a_200138433279_200025704644 [1,0,1,0,0,0|0,0,1]=3 532 B11R1.41 C=CCc1ccccc1OC 34a_100000211836_200000210301 [1,0,1,0,0,0|1,0,1]=4 533 B11R1.41 C=CCc1ccccc1OC 7a_100000211836_200000210301 [1,0,1,0,0,0|1,0,1]=4 534 B11R1.41 C=CCc1ccccc1O[13CH3] 34a_100000211836_200025704644 [1,0,1,0,0,0|1,0,1]=4 535 B11R1.41 C=CCc1ccccc1O[13CH3] 7a_100000211836_200025704644 [1,0,1,0,0,0|1,0,1]=4 536 B11R1.41 C=CCc1ccccc1SC 62a_100009828059_200000210301 [1,0,1,0,0,0|1,0,1]=4 537 B11R1.41 C=CCc1ccccc1SC 62a_200000210301_100009828059 [1,0,1,0,0,0|1,0,1]=4 538 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_100009828059_200025704644 [1,0,1,0,0,0|1,0,1]=4 539 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_200025704644_100009828059 [1,0,1,0,0,0|1,0,1]=4 540 B11R1.41 C=Cc1ccccc1NCC 271570a_100011290941_114873767003 [1,0,1,0,0,0|1,0,1]=4 541 B11R1.41 C=Cc1ccccc1NCC 34a_100012022501_100000210202 [1,0,1,0,0,0|1,0,1]=4 542 B11R1.41 C=Cc1ccccc1NCF 34a_100012022501_100015361967 [1,0,1,0,0,0|1,0,1]=4 543 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [1,0,1,0,0,0|1,0,1]=4 544 B11R1.41 CC=Cc1ccccc1NC 271570a_100016259895_100020606079 [1,0,1,0,0,0|0,0,1]=3 545 B11R1.41 CC=Cc1ccccc1NN 271570a_100016259895_100000241748 [1,0,1,0,0,0|1,0,1]=4 546 B11R1.41 CC=Cc1ccccc1OC 271570a_100016259895_100000174000 [1,0,1,0,0,0|1,0,1]=4 547 B11R1.41 CC=Cc1ccccc1SC 271570a_100016259895_100011217816 [1,0,1,0,0,0|1,0,1]=4 548 B11R1.41 CC=Cc1cccnc1NC 271570a_100016259895_100000700899 [1,0,1,0,0,0|1,0,1]=4 549 B11R1.41 CC=Cc1cnccc1NC 271570a_100016259895_100010069531 [1,0,1,0,0,0|1,0,1]=4 550 B11R1.41 CC=Cc1ncccc1NC 271570a_100016259895_200011806188 [1,0,1,0,0,0|1,0,1]=4 551 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [1,0,1,0,0,0|1,0,1]=4 552 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [1,0,1,0,0,0|1,0,1]=4 553 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [1,0,1,0,0,0|1,0,1]=4 554 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [1,0,1,0,0,0|1,0,1]=4 555 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [1,0,1,0,0,0|2,0,0]=4 556 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [1,0,1,0,0,0|1,0,0]=3 557 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [1,0,1,0,0,0|1,0,0]=3 558 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [1,0,1,0,0,0|2,0,0]=4 559 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [1,0,1,0,0,0|1,0,0]=3 560 B11R1.53 C=Cc1ccccc1C(C)C 271570a_100011290941_100011218076 [1,0,1,0,0,0|1,0,1]=4 561 B11R1.53 C=Cc1ccccc1C(C)N 271570a_100011290941_100000181357 [1,0,1,0,0,0|2,0,0]=4 562 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [1,0,1,0,0,0|1,0,1]=4 563 B11R1.53 C=Cc1ccccc1N(C)C 271570a_100011290941_100011290883 [1,0,1,0,0,0|0,0,1]=3 564 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [1,0,1,0,0,0|1,0,0]=3 565 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [1,0,1,0,0,0|2,0,0]=4 566 B11R1.53 C=Cc1cccnc1N(C)C 271570a_100011290941_100011465059 [1,0,1,0,0,0|1,0,1]=4 567 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [1,0,1,0,0,0|2,0,0]=4 568 B11R1.53 C=Cc1cnccc1C(=O)C 271570a_100011290941_100009993184 [1,0,1,0,0,0|2,0,0]=4 569 B11R1.53 C=Cc1cnccc1N(C)C 271570a_100011290941_100012355995 [1,0,1,0,0,0|1,0,1]=4 570 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [1,0,1,0,0,0|2,0,0]=4 571 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [1,0,1,0,0,0|1,0,1]=4 572 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [1,0,1,0,0,0|1,0,1]=4 573 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,0,1,0,0,0|0,0,2]=4 574 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,0,1,0,0,0|0,0,2]=4 575 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,0,1,0,0,0|0,0,2]=4 576 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,0,1,0,0,0|0,0,2]=4 577 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [1,0,1,0,0,0|1,0,1]=4 578 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [1,0,1,0,0,0|1,0,1]=4 579 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [1,0,1,0,0,0|1,0,1]=4 580 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [1,0,1,0,0,0|1,0,1]=4 581 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [1,0,1,0,0,0|1,0,1]=4 582 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [1,0,1,0,0,0|1,0,1]=4 583 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [1,0,1,0,0,0|1,0,1]=4 584 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [1,0,1,0,0,0|1,0,1]=4 585 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [1,0,1,0,0,0|1,0,1]=4 586 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [1,0,1,0,0,0|1,0,1]=4 587 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,0,1,0,0,0|1,0,1]=4 588 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,0,1,0,0,0|1,0,1]=4 589 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,0,1,0,0,0|1,0,1]=4 590 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,0,1,0,0,0|2,0,0]=4 591 B11R1.1 C=CCOc1ccc(=O)[nH]c1 34a_100000075641_100015514636 [1,0,1,0,0,0|1,0,1]=4 592 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000210623_100000212171 [1,0,1,0,0,0|1,0,1]=4 593 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210623 [1,0,1,0,0,0|1,0,1]=4 594 B11R1.192 C=C=Cc1ccc(=O)n(c1)C 271570a_100015277604_100011245003 [1,0,1,0,0,0|0,0,1]=3 595 B11R1.192 C=C=Cc1ccc(=O)n(n1)C 271570a_100015277604_100009820752 [1,0,1,0,0,0|1,0,1]=4 596 B11R1.192 C=C=Cc1cn(c(=O)cn1)C 271570a_100015277604_100009843036 [1,0,1,0,0,0|1,0,1]=4 597 B11R1.192 C=C=Cc1cnc(=O)n(c1)C 271570a_100015277604_100009819886 [1,0,1,0,0,0|1,0,1]=4 598 B11R1.192 CC=Cc1ccc(=O)n(c1)C 271570a_100016259895_100011245003 [1,0,1,0,0,0|0,0,1]=3 599 B11R1.192 CC=Cc1ccc(=O)n(n1)C 271570a_100016259895_100009820752 [1,0,1,0,0,0|1,0,1]=4 600 B11R1.192 CC=Cc1cn(c(=O)cn1)C 271570a_100016259895_100009843036 [1,0,1,0,0,0|1,0,1]=4 601 B11R1.192 CC=Cc1cnc(=O)n(c1)C 271570a_100016259895_100009819886 [1,0,1,0,0,0|1,0,1]=4 602 B11R1.81 C=C=Cc1ccc(=O)[nH]c1N 271570a_100015277604_100009884077 [1,0,1,0,0,0|1,0,1]=4 603 B11R1.81 CC=Cc1ccc(=O)[nH]c1N 271570a_100016259895_100009884077 [1,0,1,0,0,0|1,0,1]=4 604 B11R1.37 C=Cc1ccc(=O)[nH]c1C#N 271570a_100011290941_100010559384 [1,0,1,0,0,0|1,0,1]=4 605 B11R1.265 C=Cc1cccc(c1C=O)C 271570a_100011290941_100000041122 [1,0,1,0,0,0|2,0,0]=4 606 B13R1.16 C/C=C/CSc1cccc(=O)n1C 62a_100000726605_100102629194 [0,1,1,0,0,0|0,0,2]=4 607 B13R1.16 C/C=C/CSc1cccc(=O)n1C 62a_100102629194_100000726605 [0,1,1,0,0,0|0,0,2]=4 608 B13R1.16 C=CCCSc1cccc(=O)n1C 62a_100000726605_100000754431 [0,1,1,0,0,0|0,0,2]=4 609 B13R1.16 C=CCCSc1cccc(=O)n1C 62a_100000754431_100000726605 [0,1,1,0,0,0|0,0,2]=4 610 B13R1.16 CC=CCSc1cccc(=O)n1C 62a_100000070051_100000726605 [0,1,1,0,0,0|0,0,2]=4 611 B13R1.16 CC=CCSc1cccc(=O)n1C 62a_100000726605_100000070051 [0,1,1,0,0,0|0,0,2]=4 612 B13R1.16 CCCC=Cc1cccc(=O)n1C 271570a_100016258520_100000726605 [0,1,1,0,0,0|0,0,2]=4 613 B13R1.16 CCOC=Cc1cccc(=O)n1C 271570a_100016256518_100000726605 [0,1,1,0,0,0|0,0,2]=4 614 B13R1.16 COCC=Cc1cccc(=O)n1C 271570a_100016286323_100000726605 [0,1,1,0,0,0|0,0,2]=4 615 B13R1.40 C=CC(C)Sc1cccc(=O)n1C 62a_100011215867_100000726605 [0,1,1,0,0,0|1,0,1]=4 616 B13R1.150 C=C(C)CSc1cccc(=O)n1C 62a_100000726605_100000211660 [0,1,1,0,0,0|1,0,1]=4 617 B13R1.150 C=C(C)CSc1cccc(=O)n1C 62a_100000748629_100000726605 [0,1,1,0,0,0|1,0,1]=4 618 B13R1.150 C=C(F)CSc1cccc(=O)n1C 62a_100000042424_100000726605 [0,1,1,0,0,0|1,0,1]=4 619 B13R1.150 C=C(F)CSc1cccc(=O)n1C 62a_100000726605_100000042424 [0,1,1,0,0,0|1,0,1]=4 620 B13R1.150 CC(C)C=Cc1cccc(=O)n1C 271570a_100016257149_100000726605 [0,1,1,0,0,0|0,0,2]=4 621 B13R1.150 CC(O)C=Cc1cccc(=O)n1C 271570a_200011019289_100000726605 [0,1,1,0,0,0|0,0,2]=4 622 B13R1.11 CC(=CC(=O)CF)c1ccccc1 1458a_100000743005_100015361967 [0,1,1,0,0,0|2,0,0]=4 623 B13R1.11 CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210202 [0,1,1,0,0,0|1,0,0]=3 624 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747405 [0,1,1,0,0,0|1,0,1]=4 625 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000210414_100000211460 [0,1,1,0,0,0|1,0,1]=4 626 B13R1.11 CNC(=O)C=C(C)c1ccccc1 11a_106832991635_100000743005 [0,1,1,0,0,0|0,0,0]=2 627 B13R1.11 CNC(=O)C=C(C)c1ccccc1 1626a_100102657272_100000743005 [0,1,1,0,0,0|0,0,0]=2 628 B13R1.11 CNC(=O)C=C(C)c1ccccc1 240690a_100102657272_100000743005 [0,1,1,0,0,0|0,0,0]=2 629 B13R1.11 CNC(=O)C=C(C)c1ccccc1 527a_100102657272_100000743005 [0,1,1,0,0,0|0,0,0]=2 630 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183359 [0,1,1,0,0,0|0,0,1]=3 631 B13R1.11 CNC(=O)CC(C)c1ccccc1 11a_106832991635_100000183687 [0,1,1,0,0,0|0,0,2]=4 632 B13R1.11 CNC(=O)CC(C)c1ccccc1 1626a_100102657272_100000183687 [0,1,1,0,0,0|0,0,2]=4 633 B13R1.11 CNC(=O)CC(C)c1ccccc1 240690a_100102657272_100000183687 [0,1,1,0,0,0|0,0,2]=4 634 B13R1.11 CNC(=O)CC(C)c1ccccc1 527a_100102657272_100000183687 [0,1,1,0,0,0|0,0,2]=4 635 B13R1.11 CNC(=O)CC(O)c1ccccc1 240690a_100102657272_100000690199 [0,1,1,0,0,0|0,0,2]=4 636 B13R1.11 CNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183359 [0,1,1,0,0,0|1,0,1]=4 637 B13R1.11 CNC(=O)CN(C)c1ccccc1 240690a_100102657272_100000745425 [0,1,1,0,0,0|1,0,1]=4 638 B13R1.11 CNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183359 [0,1,1,0,0,0|1,0,1]=4 639 B13R1.11 CNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183359 [0,1,1,0,0,0|1,0,1]=4 640 B13R1.11 CNC(=O)CN(C)c1ccccc1 527a_100102657272_100000745425 [0,1,1,0,0,0|1,0,1]=4 641 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_106832991635 [0,1,1,0,0,0|1,0,1]=4 642 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100102657272_100000751104 [0,1,1,0,0,0|1,0,1]=4 643 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100102657272 [0,1,1,0,0,0|1,0,1]=4 644 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100102657272_100000751104 [0,1,1,0,0,0|1,0,1]=4 645 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100102657272 [0,1,1,0,0,0|1,0,1]=4 646 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_106832991638_100000751104 [0,1,1,0,0,0|1,0,1]=4 647 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [0,1,1,0,0,0|1,0,1]=4 648 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210202 [0,1,1,0,0,0|1,0,0]=3 649 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000211110 [0,1,1,0,0,0|1,0,0]=3 650 B13R1.14 CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210202 [0,1,1,0,0,0|1,0,0]=3 651 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210202 [0,1,1,0,0,0|1,0,0]=3 652 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210202 [0,1,1,0,0,0|1,0,0]=3 653 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000211110 [0,1,1,0,0,0|1,0,0]=3 654 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210202 [0,1,1,0,0,0|1,0,0]=3 655 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000211110 [0,1,1,0,0,0|1,0,0]=3 656 B13R1.14 CCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000211110 [0,1,1,0,0,0|2,0,0]=4 657 B13R1.14 CCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210202 [0,1,1,0,0,0|2,0,0]=4 658 B13R1.14 CCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000211110 [0,1,1,0,0,0|2,0,0]=4 659 B13R1.14 CCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210202 [0,1,1,0,0,0|2,0,0]=4 660 B13R1.14 CNC(=O)C#Cc1ccc(cc1)Cl 240690a_100102657272_100011892723 [0,1,1,0,0,0|0,0,2]=4 661 B13R1.14 CNC(=O)C#Cc1ccc(cc1)F 240690a_100102657272_100000238512 [0,1,1,0,0,0|0,0,2]=4 662 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 11a_106832991635_100016267368 [0,1,1,0,0,0|0,0,0]=2 663 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 1626a_100102657272_100016267368 [0,1,1,0,0,0|0,0,0]=2 664 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 11a_106832991635_100000716854 [0,1,1,0,0,0|0,0,0]=2 665 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 1626a_100102657272_100000716854 [0,1,1,0,0,0|0,0,0]=2 666 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 240690a_100102657272_100000716854 [0,1,1,0,0,0|0,0,0]=2 667 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 11a_106832991635_100000184863 [0,1,1,0,0,0|0,0,0]=2 668 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100102657272_100000184863 [0,1,1,0,0,0|0,0,0]=2 669 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100102657272_100000184863 [0,1,1,0,0,0|0,0,0]=2 670 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 11a_106832991635_100000182136 [0,1,1,0,0,0|0,0,0]=2 671 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 1626a_100102657272_100000182136 [0,1,1,0,0,0|0,0,0]=2 672 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 240690a_100102657272_100000182136 [0,1,1,0,0,0|0,0,0]=2 673 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 11a_106832991635_100102526154 [0,1,1,0,0,0|0,0,0]=2 674 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 1626a_100102657272_100102526154 [0,1,1,0,0,0|0,0,0]=2 675 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 240690a_100102657272_100102526154 [0,1,1,0,0,0|0,0,0]=2 676 B13R1.14 CNC(=O)C=Cc1ccc(cc1)O 240690a_100102657272_100016269017 [0,1,1,0,0,0|0,0,0]=2 677 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 11a_106832991635_100020630499 [0,1,1,0,0,0|1,0,0]=3 678 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 1626a_100102657272_100020630499 [0,1,1,0,0,0|1,0,0]=3 679 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 240690a_100102657272_100020630499 [0,1,1,0,0,0|1,0,0]=3 680 B13R1.14 CNC(=O)C=Cc1ccc(nc1)Br 11a_106832991635_100020588214 [0,1,1,0,0,0|1,0,0]=3 681 B13R1.14 CNC(=O)C=Cc1ccc(nc1)Br 1626a_100102657272_100020588214 [0,1,1,0,0,0|1,0,0]=3 682 B13R1.14 CNC(=O)C=Cc1ccc(nc1)Br 240690a_100102657272_100020588214 [0,1,1,0,0,0|1,0,0]=3 683 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 11a_106832991635_100000217147 [0,1,1,0,0,0|0,0,2]=4 684 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 1626a_100102657272_100000217147 [0,1,1,0,0,0|0,0,2]=4 685 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 240690a_100102657272_100000217147 [0,1,1,0,0,0|0,0,2]=4 686 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 527a_100102657272_100000217147 [0,1,1,0,0,0|0,0,2]=4 687 B13R1.14 CNC(=O)CCc1ccc(cc1)C 11a_106832991635_100000234883 [0,1,1,0,0,0|0,0,2]=4 688 B13R1.14 CNC(=O)CCc1ccc(cc1)C 1626a_100102657272_100000234883 [0,1,1,0,0,0|0,0,2]=4 689 B13R1.14 CNC(=O)CCc1ccc(cc1)C 240690a_100102657272_100000234883 [0,1,1,0,0,0|0,0,2]=4 690 B13R1.14 CNC(=O)CCc1ccc(cc1)C 527a_100102657272_100000234883 [0,1,1,0,0,0|0,0,2]=4 691 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 11a_106832991635_100000235379 [0,1,1,0,0,0|0,0,2]=4 692 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 1626a_100102657272_100000235379 [0,1,1,0,0,0|0,0,2]=4 693 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 240690a_100102657272_100000235379 [0,1,1,0,0,0|0,0,2]=4 694 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 527a_100102657272_100000235379 [0,1,1,0,0,0|0,0,2]=4 695 B13R1.14 CNC(=O)CCc1ccc(cc1)F 11a_106832991635_100000198493 [0,1,1,0,0,0|0,0,2]=4 696 B13R1.14 CNC(=O)CCc1ccc(cc1)F 1626a_100102657272_100000198493 [0,1,1,0,0,0|0,0,2]=4 697 B13R1.14 CNC(=O)CCc1ccc(cc1)F 240690a_100102657272_100000198493 [0,1,1,0,0,0|0,0,2]=4 698 B13R1.14 CNC(=O)CCc1ccc(cc1)F 527a_100102657272_100000198493 [0,1,1,0,0,0|0,0,2]=4 699 B13R1.14 CNC(=O)CCc1ccc(cc1)I 11a_106832991635_100011217499 [0,1,1,0,0,0|0,0,2]=4 700 B13R1.14 CNC(=O)CCc1ccc(cc1)I 1626a_100102657272_100011217499 [0,1,1,0,0,0|0,0,2]=4 701 B13R1.14 CNC(=O)CCc1ccc(cc1)I 240690a_100102657272_100011217499 [0,1,1,0,0,0|0,0,2]=4 702 B13R1.14 CNC(=O)CCc1ccc(cc1)I 527a_100102657272_100011217499 [0,1,1,0,0,0|0,0,2]=4 703 B13R1.14 CNC(=O)CCc1ccc(cc1)O 240690a_100102657272_100000742835 [0,1,1,0,0,0|0,0,2]=4 704 B13R1.14 CNC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010273138 [0,1,1,0,0,0|0,0,2]=4 705 B13R1.14 CNC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000183359 [0,1,1,0,0,0|1,0,1]=4 706 B13R1.14 CNC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000183359 [0,1,1,0,0,0|1,0,1]=4 707 B13R1.14 CNC(=O)CNc1ccc(cc1)C 34a_100000124888_100000183359 [0,1,1,0,0,0|1,0,1]=4 708 B13R1.14 CNC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000183359 [0,1,1,0,0,0|1,0,1]=4 709 B13R1.14 CNC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000183359 [0,1,1,0,0,0|1,0,1]=4 710 B13R1.14 CNC(=O)CNc1ccc(cc1)F 34a_100000185862_100000183359 [0,1,1,0,0,0|1,0,1]=4 711 B13R1.14 CNC(=O)CNc1ccc(cc1)I 34a_100000185761_100000183359 [0,1,1,0,0,0|1,0,1]=4 712 B13R1.14 CNC(=O)CNc1ccc(cc1)O 34a_100000185829_100000183359 [0,1,1,0,0,0|1,0,1]=4 713 B13R1.14 CNC(=O)COc1ccc(cc1)Br 11a_106832991635_100000182358 [0,1,1,0,0,0|1,0,1]=4 714 B13R1.14 CNC(=O)COc1ccc(cc1)Br 1626a_100102657272_100000182358 [0,1,1,0,0,0|1,0,1]=4 715 B13R1.14 CNC(=O)COc1ccc(cc1)Br 240690a_100102657272_100000182358 [0,1,1,0,0,0|1,0,1]=4 716 B13R1.14 CNC(=O)COc1ccc(cc1)Br 34a_100000185759_100000183359 [0,1,1,0,0,0|1,0,1]=4 717 B13R1.14 CNC(=O)COc1ccc(cc1)Br 527a_100102657272_100000182358 [0,1,1,0,0,0|1,0,1]=4 718 B13R1.14 CNC(=O)COc1ccc(cc1)Br 7a_100000185759_100000183359 [0,1,1,0,0,0|1,0,1]=4 719 B13R1.14 CNC(=O)COc1ccc(cc1)C 11a_106832991635_100000182360 [0,1,1,0,0,0|1,0,1]=4 720 B13R1.14 CNC(=O)COc1ccc(cc1)C 1626a_100102657272_100000182360 [0,1,1,0,0,0|1,0,1]=4 721 B13R1.14 CNC(=O)COc1ccc(cc1)C 240690a_100102657272_100000182360 [0,1,1,0,0,0|1,0,1]=4 722 B13R1.14 CNC(=O)COc1ccc(cc1)C 34a_100000210336_100000183359 [0,1,1,0,0,0|1,0,1]=4 723 B13R1.14 CNC(=O)COc1ccc(cc1)C 527a_100102657272_100000182360 [0,1,1,0,0,0|1,0,1]=4 724 B13R1.14 CNC(=O)COc1ccc(cc1)C 7a_100000210336_100000183359 [0,1,1,0,0,0|1,0,1]=4 725 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 11a_106832991635_100016990877 [0,1,1,0,0,0|1,0,1]=4 726 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 1626a_100102657272_100016990877 [0,1,1,0,0,0|1,0,1]=4 727 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 240690a_100102657272_100016990877 [0,1,1,0,0,0|1,0,1]=4 728 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183359 [0,1,1,0,0,0|1,0,1]=4 729 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 527a_100102657272_100016990877 [0,1,1,0,0,0|1,0,1]=4 730 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183359 [0,1,1,0,0,0|1,0,1]=4 731 B13R1.14 CNC(=O)COc1ccc(cc1)F 11a_106832991635_100000184765 [0,1,1,0,0,0|1,0,1]=4 732 B13R1.14 CNC(=O)COc1ccc(cc1)F 1626a_100102657272_100000184765 [0,1,1,0,0,0|1,0,1]=4 733 B13R1.14 CNC(=O)COc1ccc(cc1)F 240690a_100102657272_100000184765 [0,1,1,0,0,0|1,0,1]=4 734 B13R1.14 CNC(=O)COc1ccc(cc1)F 34a_100000210339_100000183359 [0,1,1,0,0,0|1,0,1]=4 735 B13R1.14 CNC(=O)COc1ccc(cc1)F 527a_100102657272_100000184765 [0,1,1,0,0,0|1,0,1]=4 736 B13R1.14 CNC(=O)COc1ccc(cc1)I 11a_106832991635_100000184369 [0,1,1,0,0,0|1,0,1]=4 737 B13R1.14 CNC(=O)COc1ccc(cc1)I 1626a_100102657272_100000184369 [0,1,1,0,0,0|1,0,1]=4 738 B13R1.14 CNC(=O)COc1ccc(cc1)I 240690a_100102657272_100000184369 [0,1,1,0,0,0|1,0,1]=4 739 B13R1.14 CNC(=O)COc1ccc(cc1)I 34a_100000212066_100000183359 [0,1,1,0,0,0|1,0,1]=4 740 B13R1.14 CNC(=O)COc1ccc(cc1)I 527a_100102657272_100000184369 [0,1,1,0,0,0|1,0,1]=4 741 B13R1.14 CNC(=O)COc1ccc(cc1)I 7a_100000212066_100000183359 [0,1,1,0,0,0|1,0,1]=4 742 B13R1.14 CNC(=O)COc1ccc(cc1)N 34a_100000185829_100000183359 [0,1,1,0,0,0|1,0,1]=4 743 B13R1.14 CNC(=O)COc1ccc(cc1)O 240690a_100102657272_100000031633 [0,1,1,0,0,0|1,0,1]=4 744 B13R1.14 CNC(=O)COc1ccc(cc1)O 271570a_203496583355_200000150405 [0,1,1,0,0,0|1,0,1]=4 745 B13R1.14 CNC(=O)COc1ccc(cc1)O 527a_100102657272_100000031633 [0,1,1,0,0,0|1,0,1]=4 746 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 11a_106832991635_100000179496 [0,1,1,0,0,0|1,0,1]=4 747 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 1626a_100102657272_100000179496 [0,1,1,0,0,0|1,0,1]=4 748 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 240690a_100102657272_100000179496 [0,1,1,0,0,0|1,0,1]=4 749 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 527a_100102657272_100000179496 [0,1,1,0,0,0|1,0,1]=4 750 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 62a_100000183359_100000752885 [0,1,1,0,0,0|1,0,1]=4 751 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000183359 [0,1,1,0,0,0|1,0,1]=4 752 B13R1.14 CNC(=O)CSc1ccc(cc1)C 11a_106832991635_100000179497 [0,1,1,0,0,0|1,0,1]=4 753 B13R1.14 CNC(=O)CSc1ccc(cc1)C 1626a_100102657272_100000179497 [0,1,1,0,0,0|1,0,1]=4 754 B13R1.14 CNC(=O)CSc1ccc(cc1)C 240690a_100102657272_100000179497 [0,1,1,0,0,0|1,0,1]=4 755 B13R1.14 CNC(=O)CSc1ccc(cc1)C 527a_100102657272_100000179497 [0,1,1,0,0,0|1,0,1]=4 756 B13R1.14 CNC(=O)CSc1ccc(cc1)C 62a_100000183359_100000186775 [0,1,1,0,0,0|1,0,1]=4 757 B13R1.14 CNC(=O)CSc1ccc(cc1)C 62a_100000186775_100000183359 [0,1,1,0,0,0|1,0,1]=4 758 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 11a_106832991635_100000178402 [0,1,1,0,0,0|1,0,1]=4 759 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 1626a_100102657272_100000178402 [0,1,1,0,0,0|1,0,1]=4 760 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 240690a_100102657272_100000178402 [0,1,1,0,0,0|1,0,1]=4 761 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 527a_100102657272_100000178402 [0,1,1,0,0,0|1,0,1]=4 762 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 62a_100000183359_100000755918 [0,1,1,0,0,0|1,0,1]=4 763 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000183359 [0,1,1,0,0,0|1,0,1]=4 764 B13R1.14 CNC(=O)CSc1ccc(cc1)F 11a_106832991635_100000691584 [0,1,1,0,0,0|1,0,1]=4 765 B13R1.14 CNC(=O)CSc1ccc(cc1)F 1626a_100102657272_100000691584 [0,1,1,0,0,0|1,0,1]=4 766 B13R1.14 CNC(=O)CSc1ccc(cc1)F 240690a_100102657272_100000691584 [0,1,1,0,0,0|1,0,1]=4 767 B13R1.14 CNC(=O)CSc1ccc(cc1)F 527a_100102657272_100000691584 [0,1,1,0,0,0|1,0,1]=4 768 B13R1.14 CNC(=O)CSc1ccc(cc1)F 62a_100000183359_100000211213 [0,1,1,0,0,0|1,0,1]=4 769 B13R1.14 CNC(=O)CSc1ccc(cc1)F 62a_100000211213_100000183359 [0,1,1,0,0,0|1,0,1]=4 770 B13R1.14 CNC(=O)CSc1ccc(cc1)N 62a_100000183359_100000185761 [0,1,1,0,0,0|1,0,1]=4 771 B13R1.14 CNC(=O)CSc1ccc(cc1)N 62a_100000185761_100000183359 [0,1,1,0,0,0|1,0,1]=4 772 B13R1.14 CNC(=O)CSc1ccc(cc1)O 62a_100000183359_100000185759 [0,1,1,0,0,0|1,0,1]=4 773 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_106832991635 [0,1,1,0,0,0|1,0,1]=4 774 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 2708a_100102657272_100000174875 [0,1,1,0,0,0|1,0,1]=4 775 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100102657272 [0,1,1,0,0,0|1,0,1]=4 776 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 273464a_100102657272_100000174875 [0,1,1,0,0,0|1,0,1]=4 777 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 512a_100000174875_100102657272 [0,1,1,0,0,0|1,0,1]=4 778 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 512a_106832991638_100000174875 [0,1,1,0,0,0|1,0,1]=4 779 B13R1.14 CNC(=O)NCc1ccc(cc1)C 2708a_100000174908_106832991635 [0,1,1,0,0,0|1,0,1]=4 780 B13R1.14 CNC(=O)NCc1ccc(cc1)C 2708a_100102657272_100000174908 [0,1,1,0,0,0|1,0,1]=4 781 B13R1.14 CNC(=O)NCc1ccc(cc1)C 273464a_100000174908_100102657272 [0,1,1,0,0,0|1,0,1]=4 782 B13R1.14 CNC(=O)NCc1ccc(cc1)C 273464a_100102657272_100000174908 [0,1,1,0,0,0|1,0,1]=4 783 B13R1.14 CNC(=O)NCc1ccc(cc1)C 512a_100000174908_100102657272 [0,1,1,0,0,0|1,0,1]=4 784 B13R1.14 CNC(=O)NCc1ccc(cc1)C 512a_106832991638_100000174908 [0,1,1,0,0,0|1,0,1]=4 785 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_106832991635 [0,1,1,0,0,0|1,0,1]=4 786 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 2708a_100102657272_100000174871 [0,1,1,0,0,0|1,0,1]=4 787 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100102657272 [0,1,1,0,0,0|1,0,1]=4 788 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 273464a_100102657272_100000174871 [0,1,1,0,0,0|1,0,1]=4 789 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 512a_106832991638_100000174871 [0,1,1,0,0,0|1,0,1]=4 790 B13R1.14 CNC(=O)NCc1ccc(cc1)F 2708a_100000174882_106832991635 [0,1,1,0,0,0|1,0,1]=4 791 B13R1.14 CNC(=O)NCc1ccc(cc1)F 2708a_100102657272_100000174882 [0,1,1,0,0,0|1,0,1]=4 792 B13R1.14 CNC(=O)NCc1ccc(cc1)F 273464a_100000174882_100102657272 [0,1,1,0,0,0|1,0,1]=4 793 B13R1.14 CNC(=O)NCc1ccc(cc1)F 273464a_100102657272_100000174882 [0,1,1,0,0,0|1,0,1]=4 794 B13R1.14 CNC(=O)NCc1ccc(cc1)F 512a_100000174882_100102657272 [0,1,1,0,0,0|1,0,1]=4 795 B13R1.14 CNC(=O)NCc1ccc(cc1)F 512a_106832991638_100000174882 [0,1,1,0,0,0|1,0,1]=4 796 B13R1.14 CNC(=O)NCc1ccc(cc1)I 2708a_100016989417_106832991635 [0,1,1,0,0,0|1,0,1]=4 797 B13R1.14 CNC(=O)NCc1ccc(cc1)I 2708a_100102657272_100016989417 [0,1,1,0,0,0|1,0,1]=4 798 B13R1.14 CNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100102657272 [0,1,1,0,0,0|1,0,1]=4 799 B13R1.14 CNC(=O)NCc1ccc(cc1)I 273464a_100102657272_100016989417 [0,1,1,0,0,0|1,0,1]=4 800 B13R1.14 CNC(=O)NCc1ccc(cc1)I 512a_100016989417_100102657272 [0,1,1,0,0,0|1,0,1]=4 801 B13R1.14 CNC(=O)NCc1ccc(cc1)I 512a_106832991638_100016989417 [0,1,1,0,0,0|1,0,1]=4 802 B13R1.14 CNC(=O)NCc1ccc(cc1)O 2708a_100000185549_106832991635 [0,1,1,0,0,0|1,0,1]=4 803 B13R1.14 CNC(=O)NCc1ccc(cc1)O 2708a_100102657272_100000185549 [0,1,1,0,0,0|1,0,1]=4 804 B13R1.14 CNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100102657272 [0,1,1,0,0,0|1,0,1]=4 805 B13R1.14 CNC(=O)NCc1ccc(cc1)O 273464a_100102657272_100000185549 [0,1,1,0,0,0|1,0,1]=4 806 B13R1.14 CNC(=O)NCc1ccc(cc1)O 512a_106832991638_100000185549 [0,1,1,0,0,0|1,0,1]=4 807 B13R1.14 CNC(=O)NNc1ccc(cc1)Br 273464a_100102657272_100000735608 [0,1,1,0,0,0|2,0,0]=4 808 B13R1.14 CNC(=O)NNc1ccc(cc1)Br 512a_106832991638_100000735608 [0,1,1,0,0,0|2,0,0]=4 809 B13R1.14 CNC(=O)NNc1ccc(cc1)C 273464a_100102657272_100000683527 [0,1,1,0,0,0|2,0,0]=4 810 B13R1.14 CNC(=O)NNc1ccc(cc1)C 512a_106832991638_100000683527 [0,1,1,0,0,0|2,0,0]=4 811 B13R1.14 CNC(=O)NNc1ccc(cc1)Cl 273464a_100102657272_100000683521 [0,1,1,0,0,0|2,0,0]=4 812 B13R1.14 CNC(=O)NNc1ccc(cc1)Cl 512a_106832991638_100000683521 [0,1,1,0,0,0|2,0,0]=4 813 B13R1.14 CNC(=O)NNc1ccc(cc1)F 273464a_100102657272_100000728448 [0,1,1,0,0,0|2,0,0]=4 814 B13R1.14 CNC(=O)NNc1ccc(cc1)F 512a_106832991638_100000728448 [0,1,1,0,0,0|2,0,0]=4 815 B13R1.14 CNC(=O)NNc1ccc(cc1)I 273464a_100102657272_100016988836 [0,1,1,0,0,0|2,0,0]=4 816 B13R1.14 CNC(=O)NNc1ccc(cc1)I 512a_106832991638_100016988836 [0,1,1,0,0,0|2,0,0]=4 817 B13R1.14 COC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100000148628 [0,1,1,0,0,0|1,0,0]=3 818 B13R1.14 Cc1ccc(cc1)C=CC(=O)CF 1458a_100000716854_100015361967 [0,1,1,0,0,0|2,0,0]=4 819 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CBr 6a_100000186029_100009888967 [0,1,1,0,0,0|2,0,0]=4 820 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CCl 6a_100000186029_100000086384 [0,1,1,0,0,0|2,0,0]=4 821 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CF 1458a_100016267368_100015361967 [0,1,1,0,0,0|2,0,0]=4 822 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CF 6a_100000186029_100000764096 [0,1,1,0,0,0|2,0,0]=4 823 B13R1.14 O=C(C=Cc1ccc(cc1)Cl)CF 1458a_100000184863_100015361967 [0,1,1,0,0,0|2,0,0]=4 824 B13R1.14 O=C(C=Cc1ccc(cc1)F)CBr 6a_100000210084_100009888967 [0,1,1,0,0,0|2,0,0]=4 825 B13R1.14 O=C(C=Cc1ccc(cc1)F)CCl 6a_100000210084_100000086384 [0,1,1,0,0,0|2,0,0]=4 826 B13R1.14 O=C(C=Cc1ccc(cc1)F)CF 1458a_100000182136_100015361967 [0,1,1,0,0,0|2,0,0]=4 827 B13R1.14 O=C(C=Cc1ccc(cc1)F)CF 6a_100000210084_100000764096 [0,1,1,0,0,0|2,0,0]=4 828 B13R1.14 O=C(C=Cc1ccc(cc1)I)CBr 6a_100000188517_100009888967 [0,1,1,0,0,0|2,0,0]=4 829 B13R1.14 O=C(C=Cc1ccc(cc1)I)CCl 6a_100000188517_100000086384 [0,1,1,0,0,0|2,0,0]=4 830 B13R1.14 O=C(C=Cc1ccc(cc1)I)CF 1458a_100102526154_100015361967 [0,1,1,0,0,0|2,0,0]=4 831 B13R1.14 O=C(C=Cc1ccc(cc1)I)CF 6a_100000188517_100000764096 [0,1,1,0,0,0|2,0,0]=4 832 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210202 [0,1,1,0,0,0|1,0,0]=3 833 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000211110 [0,1,1,0,0,0|1,0,0]=3 834 B13R1.15 CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210202 [0,1,1,0,0,0|1,0,0]=3 835 B13R1.15 CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210202 [0,1,1,0,0,0|1,0,0]=3 836 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210202 [0,1,1,0,0,0|1,0,0]=3 837 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000211110 [0,1,1,0,0,0|1,0,0]=3 838 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210202 [0,1,1,0,0,0|1,0,0]=3 839 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000211110 [0,1,1,0,0,0|1,0,0]=3 840 B13R1.15 CCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000211110 [0,1,1,0,0,0|2,0,0]=4 841 B13R1.15 CCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000211110 [0,1,1,0,0,0|2,0,0]=4 842 B13R1.15 CCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000211110 [0,1,1,0,0,0|2,0,0]=4 843 B13R1.15 CCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000211110 [0,1,1,0,0,0|2,0,0]=4 844 B13R1.15 CNC(=O)C#Cc1cccc(c1)C 240690a_100102657272_100011892726 [0,1,1,0,0,0|0,0,2]=4 845 B13R1.15 CNC(=O)C#Cc1cccc(c1)Cl 240690a_100102657272_100011892777 [0,1,1,0,0,0|0,0,2]=4 846 B13R1.15 CNC(=O)C#Cc1cccc(c1)F 240690a_100102657272_100011892744 [0,1,1,0,0,0|0,0,2]=4 847 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 11a_106832991635_100016258244 [0,1,1,0,0,0|0,0,0]=2 848 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 1626a_100102657272_100016258244 [0,1,1,0,0,0|0,0,0]=2 849 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 240690a_100102657272_100016258244 [0,1,1,0,0,0|0,0,0]=2 850 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 11a_106832991635_100000690095 [0,1,1,0,0,0|0,0,0]=2 851 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 1626a_100102657272_100000690095 [0,1,1,0,0,0|0,0,0]=2 852 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 240690a_100102657272_100000690095 [0,1,1,0,0,0|0,0,0]=2 853 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 11a_106832991635_100000184502 [0,1,1,0,0,0|0,0,0]=2 854 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 1626a_100102657272_100000184502 [0,1,1,0,0,0|0,0,0]=2 855 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 240690a_100102657272_100000184502 [0,1,1,0,0,0|0,0,0]=2 856 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 11a_106832991635_100000718793 [0,1,1,0,0,0|0,0,0]=2 857 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 1626a_100102657272_100000718793 [0,1,1,0,0,0|0,0,0]=2 858 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 240690a_100102657272_100000718793 [0,1,1,0,0,0|0,0,0]=2 859 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 11a_106832991635_100020647043 [0,1,1,0,0,0|0,0,0]=2 860 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 1626a_100102657272_100020647043 [0,1,1,0,0,0|0,0,0]=2 861 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 240690a_100102657272_100020647043 [0,1,1,0,0,0|0,0,0]=2 862 B13R1.15 CNC(=O)CCc1cccc(c1)Br 11a_106832991635_100000184314 [0,1,1,0,0,0|0,0,2]=4 863 B13R1.15 CNC(=O)CCc1cccc(c1)Br 1626a_100102657272_100000184314 [0,1,1,0,0,0|0,0,2]=4 864 B13R1.15 CNC(=O)CCc1cccc(c1)Br 240690a_100102657272_100000184314 [0,1,1,0,0,0|0,0,2]=4 865 B13R1.15 CNC(=O)CCc1cccc(c1)Br 527a_100102657272_100000184314 [0,1,1,0,0,0|0,0,2]=4 866 B13R1.15 CNC(=O)CCc1cccc(c1)C 11a_106832991635_100000234952 [0,1,1,0,0,0|0,0,2]=4 867 B13R1.15 CNC(=O)CCc1cccc(c1)C 1626a_100102657272_100000234952 [0,1,1,0,0,0|0,0,2]=4 868 B13R1.15 CNC(=O)CCc1cccc(c1)C 240690a_100102657272_100000234952 [0,1,1,0,0,0|0,0,2]=4 869 B13R1.15 CNC(=O)CCc1cccc(c1)C 527a_100102657272_100000234952 [0,1,1,0,0,0|0,0,2]=4 870 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 11a_106832991635_100000235675 [0,1,1,0,0,0|0,0,2]=4 871 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 1626a_100102657272_100000235675 [0,1,1,0,0,0|0,0,2]=4 872 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 240690a_100102657272_100000235675 [0,1,1,0,0,0|0,0,2]=4 873 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 527a_100102657272_100000235675 [0,1,1,0,0,0|0,0,2]=4 874 B13R1.15 CNC(=O)CCc1cccc(c1)F 11a_106832991635_100000235673 [0,1,1,0,0,0|0,0,2]=4 875 B13R1.15 CNC(=O)CCc1cccc(c1)F 1626a_100102657272_100000235673 [0,1,1,0,0,0|0,0,2]=4 876 B13R1.15 CNC(=O)CCc1cccc(c1)F 240690a_100102657272_100000235673 [0,1,1,0,0,0|0,0,2]=4 877 B13R1.15 CNC(=O)CCc1cccc(c1)F 527a_100102657272_100000235673 [0,1,1,0,0,0|0,0,2]=4 878 B13R1.15 CNC(=O)CCc1cccc(c1)I 11a_106832991635_100010007846 [0,1,1,0,0,0|0,0,2]=4 879 B13R1.15 CNC(=O)CCc1cccc(c1)I 1626a_100102657272_100010007846 [0,1,1,0,0,0|0,0,2]=4 880 B13R1.15 CNC(=O)CCc1cccc(c1)I 240690a_100102657272_100010007846 [0,1,1,0,0,0|0,0,2]=4 881 B13R1.15 CNC(=O)CCc1cccc(c1)I 527a_100102657272_100010007846 [0,1,1,0,0,0|0,0,2]=4 882 B13R1.15 CNC(=O)CCc1cccc(c1)O 240690a_100102657272_100011216126 [0,1,1,0,0,0|0,0,2]=4 883 B13R1.15 CNC(=O)CCc1cccc(c1)O 527a_100102657272_100011216126 [0,1,1,0,0,0|0,0,2]=4 884 B13R1.15 CNC(=O)CNc1cccc(c1)Br 34a_100000210019_100000183359 [0,1,1,0,0,0|1,0,1]=4 885 B13R1.15 CNC(=O)CNc1cccc(c1)C 2230a_100000188690_100000183359 [0,1,1,0,0,0|1,0,1]=4 886 B13R1.15 CNC(=O)CNc1cccc(c1)C 34a_100000188690_100000183359 [0,1,1,0,0,0|1,0,1]=4 887 B13R1.15 CNC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000183359 [0,1,1,0,0,0|1,0,1]=4 888 B13R1.15 CNC(=O)CNc1cccc(c1)F 34a_100000210047_100000183359 [0,1,1,0,0,0|1,0,1]=4 889 B13R1.15 CNC(=O)CNc1cccc(c1)I 34a_100000211102_100000183359 [0,1,1,0,0,0|1,0,1]=4 890 B13R1.15 CNC(=O)CNc1cccc(c1)O 34a_100000210217_100000183359 [0,1,1,0,0,0|1,0,1]=4 891 B13R1.15 CNC(=O)COc1cccc(c1)Br 11a_106832991635_100000182359 [0,1,1,0,0,0|1,0,1]=4 892 B13R1.15 CNC(=O)COc1cccc(c1)Br 1626a_100102657272_100000182359 [0,1,1,0,0,0|1,0,1]=4 893 B13R1.15 CNC(=O)COc1cccc(c1)Br 240690a_100102657272_100000182359 [0,1,1,0,0,0|1,0,1]=4 894 B13R1.15 CNC(=O)COc1cccc(c1)Br 34a_100000210342_100000183359 [0,1,1,0,0,0|1,0,1]=4 895 B13R1.15 CNC(=O)COc1cccc(c1)Br 527a_100102657272_100000182359 [0,1,1,0,0,0|1,0,1]=4 896 B13R1.15 CNC(=O)COc1cccc(c1)Br 7a_100000210342_100000183359 [0,1,1,0,0,0|1,0,1]=4 897 B13R1.15 CNC(=O)COc1cccc(c1)C 11a_106832991635_100000183606 [0,1,1,0,0,0|1,0,1]=4 898 B13R1.15 CNC(=O)COc1cccc(c1)C 1626a_100102657272_100000183606 [0,1,1,0,0,0|1,0,1]=4 899 B13R1.15 CNC(=O)COc1cccc(c1)C 240690a_100102657272_100000183606 [0,1,1,0,0,0|1,0,1]=4 900 B13R1.15 CNC(=O)COc1cccc(c1)C 34a_100000210337_100000183359 [0,1,1,0,0,0|1,0,1]=4 901 B13R1.15 CNC(=O)COc1cccc(c1)C 527a_100102657272_100000183606 [0,1,1,0,0,0|1,0,1]=4 902 B13R1.15 CNC(=O)COc1cccc(c1)C 7a_100000210337_100000183359 [0,1,1,0,0,0|1,0,1]=4 903 B13R1.15 CNC(=O)COc1cccc(c1)Cl 11a_106832991635_100000184978 [0,1,1,0,0,0|1,0,1]=4 904 B13R1.15 CNC(=O)COc1cccc(c1)Cl 1626a_100102657272_100000184978 [0,1,1,0,0,0|1,0,1]=4 905 B13R1.15 CNC(=O)COc1cccc(c1)Cl 240690a_100102657272_100000184978 [0,1,1,0,0,0|1,0,1]=4 906 B13R1.15 CNC(=O)COc1cccc(c1)Cl 34a_100000210295_100000183359 [0,1,1,0,0,0|1,0,1]=4 907 B13R1.15 CNC(=O)COc1cccc(c1)Cl 527a_100102657272_100000184978 [0,1,1,0,0,0|1,0,1]=4 908 B13R1.15 CNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000183359 [0,1,1,0,0,0|1,0,1]=4 909 B13R1.15 CNC(=O)COc1cccc(c1)F 11a_106832991635_100000182781 [0,1,1,0,0,0|1,0,1]=4 910 B13R1.15 CNC(=O)COc1cccc(c1)F 1626a_100102657272_100000182781 [0,1,1,0,0,0|1,0,1]=4 911 B13R1.15 CNC(=O)COc1cccc(c1)F 240690a_100102657272_100000182781 [0,1,1,0,0,0|1,0,1]=4 912 B13R1.15 CNC(=O)COc1cccc(c1)F 34a_100000210426_100000183359 [0,1,1,0,0,0|1,0,1]=4 913 B13R1.15 CNC(=O)COc1cccc(c1)F 527a_100102657272_100000182781 [0,1,1,0,0,0|1,0,1]=4 914 B13R1.15 CNC(=O)COc1cccc(c1)F 7a_100000210426_100000183359 [0,1,1,0,0,0|1,0,1]=4 915 B13R1.15 CNC(=O)COc1cccc(c1)I 34a_100000211634_100000183359 [0,1,1,0,0,0|1,0,1]=4 916 B13R1.15 CNC(=O)COc1cccc(c1)I 7a_100000211634_100000183359 [0,1,1,0,0,0|1,0,1]=4 917 B13R1.15 CNC(=O)COc1cccc(c1)N 34a_100000210217_100000183359 [0,1,1,0,0,0|1,0,1]=4 918 B13R1.15 CNC(=O)COc1cccc(c1)O 271570a_203496583355_200000150594 [0,1,1,0,0,0|1,0,1]=4 919 B13R1.15 CNC(=O)CSc1cccc(c1)Br 11a_106832991635_100000760868 [0,1,1,0,0,0|1,0,1]=4 920 B13R1.15 CNC(=O)CSc1cccc(c1)Br 1626a_100102657272_100000760868 [0,1,1,0,0,0|1,0,1]=4 921 B13R1.15 CNC(=O)CSc1cccc(c1)Br 240690a_100102657272_100000760868 [0,1,1,0,0,0|1,0,1]=4 922 B13R1.15 CNC(=O)CSc1cccc(c1)Br 527a_100102657272_100000760868 [0,1,1,0,0,0|1,0,1]=4 923 B13R1.15 CNC(=O)CSc1cccc(c1)Br 62a_100000183359_100000691529 [0,1,1,0,0,0|1,0,1]=4 924 B13R1.15 CNC(=O)CSc1cccc(c1)Br 62a_100000691529_100000183359 [0,1,1,0,0,0|1,0,1]=4 925 B13R1.15 CNC(=O)CSc1cccc(c1)C 62a_100000183359_100011215228 [0,1,1,0,0,0|1,0,1]=4 926 B13R1.15 CNC(=O)CSc1cccc(c1)C 62a_100011215228_100000183359 [0,1,1,0,0,0|1,0,1]=4 927 B13R1.15 CNC(=O)CSc1cccc(c1)Cl 62a_100000183359_100000699651 [0,1,1,0,0,0|1,0,1]=4 928 B13R1.15 CNC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000183359 [0,1,1,0,0,0|1,0,1]=4 929 B13R1.15 CNC(=O)CSc1cccc(c1)F 62a_100000183359_100000685547 [0,1,1,0,0,0|1,0,1]=4 930 B13R1.15 CNC(=O)CSc1cccc(c1)F 62a_100000685547_100000183359 [0,1,1,0,0,0|1,0,1]=4 931 B13R1.15 CNC(=O)CSc1cccc(c1)N 62a_100000183359_100000210019 [0,1,1,0,0,0|1,0,1]=4 932 B13R1.15 CNC(=O)CSc1cccc(c1)N 62a_100000210019_100000183359 [0,1,1,0,0,0|1,0,1]=4 933 B13R1.15 CNC(=O)CSc1cccc(c1)O 62a_100000183359_100000211634 [0,1,1,0,0,0|1,0,1]=4 934 B13R1.15 CNC(=O)CSc1cccc(c1)[S] 62a_100000183359_114929384022 [0,1,1,0,0,0|1,0,1]=4 935 B13R1.15 CNC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000183359 [0,1,1,0,0,0|1,0,1]=4 936 B13R1.15 CNC(=O)NCc1cccc(c1)Br 2708a_100000174977_106832991635 [0,1,1,0,0,0|1,0,1]=4 937 B13R1.15 CNC(=O)NCc1cccc(c1)Br 2708a_100102657272_100000174977 [0,1,1,0,0,0|1,0,1]=4 938 B13R1.15 CNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100102657272 [0,1,1,0,0,0|1,0,1]=4 939 B13R1.15 CNC(=O)NCc1cccc(c1)Br 273464a_100102657272_100000174977 [0,1,1,0,0,0|1,0,1]=4 940 B13R1.15 CNC(=O)NCc1cccc(c1)Br 512a_100000174977_100102657272 [0,1,1,0,0,0|1,0,1]=4 941 B13R1.15 CNC(=O)NCc1cccc(c1)Br 512a_106832991638_100000174977 [0,1,1,0,0,0|1,0,1]=4 942 B13R1.15 CNC(=O)NCc1cccc(c1)C 2708a_100000185548_106832991635 [0,1,1,0,0,0|1,0,1]=4 943 B13R1.15 CNC(=O)NCc1cccc(c1)C 2708a_100102657272_100000185548 [0,1,1,0,0,0|1,0,1]=4 944 B13R1.15 CNC(=O)NCc1cccc(c1)C 273464a_100000185548_100102657272 [0,1,1,0,0,0|1,0,1]=4 945 B13R1.15 CNC(=O)NCc1cccc(c1)C 273464a_100102657272_100000185548 [0,1,1,0,0,0|1,0,1]=4 946 B13R1.15 CNC(=O)NCc1cccc(c1)C 512a_100000185548_100102657272 [0,1,1,0,0,0|1,0,1]=4 947 B13R1.15 CNC(=O)NCc1cccc(c1)C 512a_106832991638_100000185548 [0,1,1,0,0,0|1,0,1]=4 948 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_106832991635 [0,1,1,0,0,0|1,0,1]=4 949 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 2708a_100102657272_100000174878 [0,1,1,0,0,0|1,0,1]=4 950 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100102657272 [0,1,1,0,0,0|1,0,1]=4 951 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 273464a_100102657272_100000174878 [0,1,1,0,0,0|1,0,1]=4 952 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 512a_100000174878_100102657272 [0,1,1,0,0,0|1,0,1]=4 953 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 512a_106832991638_100000174878 [0,1,1,0,0,0|1,0,1]=4 954 B13R1.15 CNC(=O)NCc1cccc(c1)F 2708a_100000174948_106832991635 [0,1,1,0,0,0|1,0,1]=4 955 B13R1.15 CNC(=O)NCc1cccc(c1)F 2708a_100102657272_100000174948 [0,1,1,0,0,0|1,0,1]=4 956 B13R1.15 CNC(=O)NCc1cccc(c1)F 273464a_100000174948_100102657272 [0,1,1,0,0,0|1,0,1]=4 957 B13R1.15 CNC(=O)NCc1cccc(c1)F 273464a_100102657272_100000174948 [0,1,1,0,0,0|1,0,1]=4 958 B13R1.15 CNC(=O)NCc1cccc(c1)F 512a_100000174948_100102657272 [0,1,1,0,0,0|1,0,1]=4 959 B13R1.15 CNC(=O)NCc1cccc(c1)F 512a_106832991638_100000174948 [0,1,1,0,0,0|1,0,1]=4 960 B13R1.15 CNC(=O)NCc1cccc(c1)I 2708a_100000106179_106832991635 [0,1,1,0,0,0|1,0,1]=4 961 B13R1.15 CNC(=O)NCc1cccc(c1)I 2708a_100102657272_100000106179 [0,1,1,0,0,0|1,0,1]=4 962 B13R1.15 CNC(=O)NCc1cccc(c1)I 273464a_100000106179_100102657272 [0,1,1,0,0,0|1,0,1]=4 963 B13R1.15 CNC(=O)NCc1cccc(c1)I 273464a_100102657272_100000106179 [0,1,1,0,0,0|1,0,1]=4 964 B13R1.15 CNC(=O)NCc1cccc(c1)I 512a_100000106179_100102657272 [0,1,1,0,0,0|1,0,1]=4 965 B13R1.15 CNC(=O)NCc1cccc(c1)I 512a_106832991638_100000106179 [0,1,1,0,0,0|1,0,1]=4 966 B13R1.15 CNC(=O)NCc1cccc(c1)O 2708a_100000743036_106832991635 [0,1,1,0,0,0|1,0,1]=4 967 B13R1.15 CNC(=O)NCc1cccc(c1)O 2708a_100102657272_100000743036 [0,1,1,0,0,0|1,0,1]=4 968 B13R1.15 CNC(=O)NCc1cccc(c1)O 273464a_100000743036_100102657272 [0,1,1,0,0,0|1,0,1]=4 969 B13R1.15 CNC(=O)NCc1cccc(c1)O 273464a_100102657272_100000743036 [0,1,1,0,0,0|1,0,1]=4 970 B13R1.15 CNC(=O)NCc1cccc(c1)O 512a_100000743036_100102657272 [0,1,1,0,0,0|1,0,1]=4 971 B13R1.15 CNC(=O)NCc1cccc(c1)O 512a_106832991638_100000743036 [0,1,1,0,0,0|1,0,1]=4 972 B13R1.15 CNC(=O)NNc1cccc(c1)Br 273464a_100102657272_100000217339 [0,1,1,0,0,0|2,0,0]=4 973 B13R1.15 CNC(=O)NNc1cccc(c1)Br 512a_100000217339_100102657272 [0,1,1,0,0,0|2,0,0]=4 974 B13R1.15 CNC(=O)NNc1cccc(c1)Br 512a_106832991638_100000217339 [0,1,1,0,0,0|2,0,0]=4 975 B13R1.15 CNC(=O)NNc1cccc(c1)C 273464a_100102657272_100000681630 [0,1,1,0,0,0|2,0,0]=4 976 B13R1.15 CNC(=O)NNc1cccc(c1)C 512a_100000681630_100102657272 [0,1,1,0,0,0|2,0,0]=4 977 B13R1.15 CNC(=O)NNc1cccc(c1)C 512a_106832991638_100000681630 [0,1,1,0,0,0|2,0,0]=4 978 B13R1.15 CNC(=O)NNc1cccc(c1)Cl 273464a_100102657272_100000184277 [0,1,1,0,0,0|2,0,0]=4 979 B13R1.15 CNC(=O)NNc1cccc(c1)Cl 512a_106832991638_100000184277 [0,1,1,0,0,0|2,0,0]=4 980 B13R1.15 CNC(=O)NNc1cccc(c1)F 273464a_100102657272_100000745080 [0,1,1,0,0,0|2,0,0]=4 981 B13R1.15 CNC(=O)NNc1cccc(c1)F 512a_100000745080_100102657272 [0,1,1,0,0,0|2,0,0]=4 982 B13R1.15 CNC(=O)NNc1cccc(c1)F 512a_106832991638_100000745080 [0,1,1,0,0,0|2,0,0]=4 983 B13R1.15 CNC(=O)NNc1cccc(c1)I 273464a_100102657272_100020605690 [0,1,1,0,0,0|2,0,0]=4 984 B13R1.15 CNC(=O)NNc1cccc(c1)I 512a_100020605690_100102657272 [0,1,1,0,0,0|2,0,0]=4 985 B13R1.15 CNC(=O)NNc1cccc(c1)I 512a_106832991638_100020605690 [0,1,1,0,0,0|2,0,0]=4 986 B13R1.15 COC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_100000149372 [0,1,1,0,0,0|1,0,0]=3 987 B13R1.15 Cc1cccc(c1)C=CC(=O)CF 1458a_100000690095_100015361967 [0,1,1,0,0,0|2,0,0]=4 988 B13R1.15 O=C(C=Cc1cccc(c1)Br)CBr 6a_100000210085_100009888967 [0,1,1,0,0,0|2,0,0]=4 989 B13R1.15 O=C(C=Cc1cccc(c1)Br)CCl 6a_100000210085_100000086384 [0,1,1,0,0,0|2,0,0]=4 990 B13R1.15 O=C(C=Cc1cccc(c1)Br)CF 1458a_100016258244_100015361967 [0,1,1,0,0,0|2,0,0]=4 991 B13R1.15 O=C(C=Cc1cccc(c1)Br)CF 6a_100000210085_100000764096 [0,1,1,0,0,0|2,0,0]=4 992 B13R1.15 O=C(C=Cc1cccc(c1)Cl)CF 1458a_100000184502_100015361967 [0,1,1,0,0,0|2,0,0]=4 993 B13R1.15 O=C(C=Cc1cccc(c1)F)CBr 6a_100000210812_100009888967 [0,1,1,0,0,0|2,0,0]=4 994 B13R1.15 O=C(C=Cc1cccc(c1)F)CCl 6a_100000210812_100000086384 [0,1,1,0,0,0|2,0,0]=4 995 B13R1.15 O=C(C=Cc1cccc(c1)F)CF 1458a_100000718793_100015361967 [0,1,1,0,0,0|2,0,0]=4 996 B13R1.15 O=C(C=Cc1cccc(c1)F)CF 6a_100000210812_100000764096 [0,1,1,0,0,0|2,0,0]=4 997 B13R1.15 O=C(C=Cc1cccc(c1)I)CBr 6a_100000014684_100009888967 [0,1,1,0,0,0|2,0,0]=4 998 B13R1.15 O=C(C=Cc1cccc(c1)I)CCl 6a_100000014684_100000086384 [0,1,1,0,0,0|2,0,0]=4 999 B13R1.15 O=C(C=Cc1cccc(c1)I)CF 1458a_100020647043_100015361967 [0,1,1,0,0,0|2,0,0]=4 1000 B13R1.15 O=C(C=Cc1cccc(c1)I)CF 6a_100000014684_100000764096 [0,1,1,0,0,0|2,0,0]=4 1001 B13R1.42 C#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000184674 [0,1,1,0,0,0|1,0,1]=4 1002 B13R1.42 C=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210623 [0,1,1,0,0,0|1,0,1]=4 1003 B13R1.42 CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210303 [0,1,1,0,0,0|1,0,0]=3 1004 B13R1.42 CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210303 [0,1,1,0,0,0|2,0,0]=4 1005 B13R1.42 CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210303 [0,1,1,0,0,0|2,0,0]=4 1006 B13R1.42 CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210303 [0,1,1,0,0,0|2,0,0]=4 1007 B13R1.42 CCNC(=O)C#Cc1ccccc1 240690a_100015525214_100000736102 [0,1,1,0,0,0|0,0,2]=4 1008 B13R1.42 CCNC(=O)C=Cc1ccccc1 11a_100015525214_100000210462 [0,1,1,0,0,0|0,0,0]=2 1009 B13R1.42 CCNC(=O)C=Cc1ccccn1 11a_100015525214_100000740811 [0,1,1,0,0,0|1,0,0]=3 1010 B13R1.42 CCNC(=O)C=Cc1ccccn1 240690a_100015525214_100000740811 [0,1,1,0,0,0|1,0,0]=3 1011 B13R1.42 CCNC(=O)C=Cc1cccnc1 11a_100015525214_100000735890 [0,1,1,0,0,0|1,0,0]=3 1012 B13R1.42 CCNC(=O)C=Cc1cccnc1 240690a_100015525214_100000735890 [0,1,1,0,0,0|1,0,0]=3 1013 B13R1.42 CCNC(=O)C=Cc1ccncc1 240690a_100015525214_100000682801 [0,1,1,0,0,0|1,0,0]=3 1014 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [0,1,1,0,0,0|0,0,2]=4 1015 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [0,1,1,0,0,0|0,0,2]=4 1016 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [0,1,1,0,0,0|0,0,2]=4 1017 B13R1.42 CCNC(=O)CNc1ccccc1 34a_100000106764_100000183381 [0,1,1,0,0,0|1,0,1]=4 1018 B13R1.42 CCNC(=O)COc1ccccc1 11a_100015525214_100000186222 [0,1,1,0,0,0|1,0,1]=4 1019 B13R1.42 CCNC(=O)COc1ccccc1 240690a_100015525214_100000186222 [0,1,1,0,0,0|1,0,1]=4 1020 B13R1.42 CCNC(=O)COc1ccccc1 34a_100000210340_100000183381 [0,1,1,0,0,0|1,0,1]=4 1021 B13R1.42 CCNC(=O)COc1ccccc1 527a_100015525214_100000186222 [0,1,1,0,0,0|1,0,1]=4 1022 B13R1.42 CCNC(=O)COc1ccccc1 7a_100000210340_100000183381 [0,1,1,0,0,0|1,0,1]=4 1023 B13R1.42 CCNC(=O)CSc1ccccc1 11a_100015525214_100000211596 [0,1,1,0,0,0|1,0,1]=4 1024 B13R1.42 CCNC(=O)CSc1ccccc1 240690a_100015525214_100000211596 [0,1,1,0,0,0|1,0,1]=4 1025 B13R1.42 CCNC(=O)CSc1ccccc1 527a_100015525214_100000211596 [0,1,1,0,0,0|1,0,1]=4 1026 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000183381_100000041952 [0,1,1,0,0,0|1,0,1]=4 1027 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000719477_100000183381 [0,1,1,0,0,0|1,0,1]=4 1028 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015324214_100015525214 [0,1,1,0,0,0|1,0,1]=4 1029 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015525214_100015324214 [0,1,1,0,0,0|1,0,1]=4 1030 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015324214_100015525214 [0,1,1,0,0,0|1,0,1]=4 1031 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015525214_100015324214 [0,1,1,0,0,0|1,0,1]=4 1032 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015324214_100015525214 [0,1,1,0,0,0|1,0,1]=4 1033 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015525214_100015324214 [0,1,1,0,0,0|1,0,1]=4 1034 B13R1.42 CCNC(=O)NNc1ccccc1 273464a_100015525214_100015195140 [0,1,1,0,0,0|2,0,0]=4 1035 B13R1.42 CCNC(=O)NNc1ccccc1 512a_100015525214_100015195140 [0,1,1,0,0,0|2,0,0]=4 1036 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [0,1,1,0,0,0|1,0,0]=3 1037 B13R1.42 CCOC(=O)C=Cc1ccccn1 271570a_100010199719_100011216584 [0,1,1,0,0,0|2,0,0]=4 1038 B13R1.42 CCOC(=O)C=Cc1cccnc1 271570a_100010199719_100000752921 [0,1,1,0,0,0|2,0,0]=4 1039 B13R1.42 CCOC(=O)C=Cc1ccncc1 271570a_100010199719_100000035832 [0,1,1,0,0,0|2,0,0]=4 1040 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [0,1,1,0,0,0|0,0,2]=4 1041 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [0,1,1,0,0,0|0,0,2]=4 1042 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [0,1,1,0,0,0|0,0,2]=4 1043 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_100000739245_200000210301 [0,1,1,0,0,0|1,0,1]=4 1044 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_106832991635_100000183539 [0,1,1,0,0,0|1,0,1]=4 1045 B13R1.42 CNCC(=O)NCc1ccccc1 34a_100102657272_100000183539 [0,1,1,0,0,0|1,0,1]=4 1046 B13R1.42 CNCC(=O)NCc1ccccc1 7a_106832991635_100000183539 [0,1,1,0,0,0|1,0,1]=4 1047 B13R1.42 CNCC(=O)OCc1ccccc1 2230a_106832991635_100000753625 [0,1,1,0,0,0|1,0,1]=4 1048 B13R1.42 CNCC(=O)OCc1ccccc1 34a_100102657272_100000753625 [0,1,1,0,0,0|1,0,1]=4 1049 B13R1.42 CNCC(=O)OCc1ccccc1 7a_106832991635_100000753625 [0,1,1,0,0,0|1,0,1]=4 1050 B13R1.42 CNNC(=O)C#Cc1ccccc1 22a_100016993582_100000736102 [0,1,1,0,0,0|0,0,2]=4 1051 B13R1.42 CNNC(=O)C=Cc1ccccc1 22a_100016993582_100000210462 [0,1,1,0,0,0|0,0,0]=2 1052 B13R1.42 CNNC(=O)C=Cc1ccccn1 22a_100016993582_100000740811 [0,1,1,0,0,0|1,0,0]=3 1053 B13R1.42 CNNC(=O)C=Cc1cccnc1 22a_100016993582_100000735890 [0,1,1,0,0,0|1,0,0]=3 1054 B13R1.42 CNNC(=O)C=Cc1ccncc1 22a_100016993582_100000682801 [0,1,1,0,0,0|1,0,0]=3 1055 B13R1.42 CNNC(=O)CCc1ccccc1 22a_100016993582_100000185753 [0,1,1,0,0,0|0,0,2]=4 1056 B13R1.42 CNNC(=O)COc1ccccc1 22a_100016993582_100000186222 [0,1,1,0,0,0|1,0,1]=4 1057 B13R1.42 CNNC(=O)CSc1ccccc1 22a_100016993582_100000211596 [0,1,1,0,0,0|1,0,1]=4 1058 B13R1.42 CNNC(=O)NCc1ccccc1 273464a_100015324214_100016993582 [0,1,1,0,0,0|1,0,1]=4 1059 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100015324214_100016993582 [0,1,1,0,0,0|1,0,1]=4 1060 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100016993582_100015324214 [0,1,1,0,0,0|1,0,1]=4 1061 B13R1.42 CNNC(=O)NNc1ccccc1 512a_100016993582_100015195140 [0,1,1,0,0,0|2,0,0]=4 1062 B13R1.42 N#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100011214920 [0,1,1,0,0,0|1,0,1]=4 1063 B13R1.42 O=C(C=Cc1ccccc1)CCF 1458a_100000210462_100011217306 [0,1,1,0,0,0|1,0,0]=3 1064 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [0,1,1,0,0,0|1,0,0]=3 1065 B13R1.42 O=C(C=Cc1ccccn1)CCF 1458a_100000740811_100011217306 [0,1,1,0,0,0|2,0,0]=4 1066 B13R1.42 O=C(C=Cc1ccccn1)CCO 1458a_100000740811_100000211926 [0,1,1,0,0,0|2,0,0]=4 1067 B13R1.42 O=C(C=Cc1cccnc1)CCF 1458a_100000735890_100011217306 [0,1,1,0,0,0|2,0,0]=4 1068 B13R1.42 O=C(C=Cc1cccnc1)CCO 1458a_100000735890_100000211926 [0,1,1,0,0,0|2,0,0]=4 1069 B13R1.42 O=C(C=Cc1ccncc1)CCF 1458a_100000682801_100011217306 [0,1,1,0,0,0|2,0,0]=4 1070 B13R1.42 O=C(C=Cc1ccncc1)CCO 1458a_100000682801_100000211926 [0,1,1,0,0,0|2,0,0]=4 1071 B13R1.42 O=C(CNc1ccccc1)NCO 34a_100000106764_100000185155 [0,1,1,0,0,0|1,0,1]=4 1072 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [0,1,1,0,0,0|1,0,1]=4 1073 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [0,1,1,0,0,0|1,0,1]=4 1074 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000185155_100000041952 [0,1,1,0,0,0|1,0,1]=4 1075 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000719477_100000185155 [0,1,1,0,0,0|1,0,1]=4 1076 B13R1.42 [13CH3]NCC(=O)NCc1ccccc1 2230a_100000739245_200025704644 [0,1,1,0,0,0|1,0,1]=4 1077 B13R1.135 C/C(=C\c1ccccc1)/C(=O)CF 1458a_100016990649_100015361967 [0,1,1,0,0,0|2,0,0]=4 1078 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 11a_106832991635_100000066491 [0,1,1,0,0,0|0,0,1]=3 1079 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 1626a_100102657272_100000066491 [0,1,1,0,0,0|0,0,1]=3 1080 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210202 [0,1,1,0,0,0|1,0,0]=3 1081 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210202 [0,1,1,0,0,0|1,0,0]=3 1082 B13R1.135 CCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210202 [0,1,1,0,0,0|2,0,0]=4 1083 B13R1.135 CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210202 [0,1,1,0,0,0|1,0,0]=3 1084 B13R1.135 CCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210202 [0,1,1,0,0,0|2,0,0]=4 1085 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210202 [0,1,1,0,0,0|2,0,0]=4 1086 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 11a_106832991635_100016990649 [0,1,1,0,0,0|0,0,0]=2 1087 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 1626a_100102657272_100016990649 [0,1,1,0,0,0|0,0,0]=2 1088 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 527a_100102657272_100016990649 [0,1,1,0,0,0|0,0,0]=2 1089 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 11a_106832991635_200020598536 [0,1,1,0,0,0|0,0,0]=2 1090 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100102657272_200020598536 [0,1,1,0,0,0|0,0,0]=2 1091 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100102657272_200020598536 [0,1,1,0,0,0|0,0,0]=2 1092 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100102657272_200020598536 [0,1,1,0,0,0|0,0,0]=2 1093 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 11a_106832991635_100025712827 [0,1,1,0,0,0|1,0,0]=3 1094 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 1626a_100102657272_100025712827 [0,1,1,0,0,0|1,0,0]=3 1095 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 527a_100102657272_100025712827 [0,1,1,0,0,0|1,0,0]=3 1096 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 11a_106832991635_100020889036 [0,1,1,0,0,0|0,0,0]=2 1097 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 527a_100102657272_100020889036 [0,1,1,0,0,0|0,0,0]=2 1098 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 11a_106832991635_100000731744 [0,1,1,0,0,0|1,0,0]=3 1099 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 240690a_100102657272_100000731744 [0,1,1,0,0,0|1,0,0]=3 1100 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 527a_100102657272_100000731744 [0,1,1,0,0,0|1,0,0]=3 1101 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 1458a_100011218921_100015291786 [0,1,1,0,0,0|0,0,1]=3 1102 B13R1.135 CNC(=O)C(=O)Cc1ccccn1 1458a_100011218921_100000721315 [0,1,1,0,0,0|1,0,1]=4 1103 B13R1.135 CNC(=O)C(=O)Cc1cccnc1 1458a_100011218921_100000733263 [0,1,1,0,0,0|1,0,1]=4 1104 B13R1.135 CNC(=O)C(=O)Cc1ccncc1 1458a_100011218921_100000705612 [0,1,1,0,0,0|1,0,1]=4 1105 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011218921 [0,1,1,0,0,0|1,0,0]=3 1106 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011218921 [0,1,1,0,0,0|1,0,0]=3 1107 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 240690a_100102657272_100000738435 [0,1,1,0,0,0|1,0,0]=3 1108 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_100011218921 [0,1,1,0,0,0|1,0,0]=3 1109 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [0,1,1,0,0,0|0,0,2]=4 1110 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [0,1,1,0,0,0|0,0,2]=4 1111 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [0,1,1,0,0,0|0,0,2]=4 1112 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [0,1,1,0,0,0|0,0,2]=4 1113 B13R1.135 CNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000731044 [0,1,1,0,0,0|1,0,1]=4 1114 B13R1.135 CNC(=O)C(C)Oc1ccccc1 11a_106832991635_100000188414 [0,1,1,0,0,0|1,0,1]=4 1115 B13R1.135 CNC(=O)C(C)Oc1ccccc1 1626a_100102657272_100000188414 [0,1,1,0,0,0|1,0,1]=4 1116 B13R1.135 CNC(=O)C(C)Oc1ccccc1 240690a_100102657272_100000188414 [0,1,1,0,0,0|1,0,1]=4 1117 B13R1.135 CNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000731044 [0,1,1,0,0,0|1,0,1]=4 1118 B13R1.135 CNC(=O)C(C)Oc1ccccc1 527a_100102657272_100000188414 [0,1,1,0,0,0|1,0,1]=4 1119 B13R1.135 CNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000209862 [0,1,1,0,0,0|1,0,1]=4 1120 B13R1.135 CNC(=O)C(C)Sc1ccccc1 11a_106832991635_100000199063 [0,1,1,0,0,0|1,0,1]=4 1121 B13R1.135 CNC(=O)C(C)Sc1ccccc1 1626a_100102657272_100000199063 [0,1,1,0,0,0|1,0,1]=4 1122 B13R1.135 CNC(=O)C(C)Sc1ccccc1 240690a_100102657272_100000199063 [0,1,1,0,0,0|1,0,1]=4 1123 B13R1.135 CNC(=O)C(C)Sc1ccccc1 527a_100102657272_100000199063 [0,1,1,0,0,0|1,0,1]=4 1124 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000209862_100000041952 [0,1,1,0,0,0|1,0,1]=4 1125 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000731044 [0,1,1,0,0,0|1,0,1]=4 1126 B13R1.135 CNC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813575 [0,1,1,0,0,0|1,0,1]=4 1127 B13R1.135 CNC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813575 [0,1,1,0,0,0|1,0,1]=4 1128 B13R1.135 CNC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813575 [0,1,1,0,0,0|1,0,1]=4 1129 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813575 [0,1,1,0,0,0|1,0,1]=4 1130 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100009813575_100000041952 [0,1,1,0,0,0|1,0,1]=4 1131 B13R1.135 CNC(=O)N(C)Cc1ccccc1 2708a_100102657272_100000186898 [0,1,1,0,0,0|1,0,1]=4 1132 B13R1.135 CNC(=O)N(C)Cc1ccccc1 273464a_100102657272_100000186898 [0,1,1,0,0,0|1,0,1]=4 1133 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [0,1,1,0,0,0|0,0,2]=4 1134 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,1,1,0,0,0|2,0,0]=4 1135 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,1,1,0,0,0|2,0,0]=4 1136 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,1,1,0,0,0|2,0,0]=4 1137 B13R1.135 O=C(CF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100015361967 [0,1,1,0,0,0|2,0,0]=4 1138 B13R1.135 O=C(CF)/C(=C\c1ccccc1)/F 1458a_100020889036_100015361967 [0,1,1,0,0,0|2,0,0]=4 1139 B13R1.254 CNS(=O)(=O)C=Cc1ccccc1 40a_100102657272_100011098038 [0,1,1,0,0,0|1,0,0]=3 1140 B13R1.351 CC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000210206 [0,1,1,0,0,0|1,0,0]=3 1141 B13R1.351 CC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100000210206 [0,1,1,0,0,0|2,0,0]=4 1142 B13R1.351 CC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_100000210206 [0,1,1,0,0,0|2,0,0]=4 1143 B13R1.351 CC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_100000210206 [0,1,1,0,0,0|2,0,0]=4 1144 B13R1.351 CN(C)C(=O)C#Cc1ccccc1 240690a_100102631434_100000736102 [0,1,1,0,0,0|0,0,2]=4 1145 B13R1.351 CN(C)C(=O)C=Cc1ccccc1 11a_100102631434_100000210462 [0,1,1,0,0,0|0,0,0]=2 1146 B13R1.351 CN(C)C(=O)C=Cc1ccccc1 1626a_100102631434_100000210462 [0,1,1,0,0,0|0,0,0]=2 1147 B13R1.351 CN(C)C(=O)C=Cc1ccccn1 11a_100102631434_100000740811 [0,1,1,0,0,0|1,0,0]=3 1148 B13R1.351 CN(C)C(=O)C=Cc1ccccn1 240690a_100102631434_100000740811 [0,1,1,0,0,0|1,0,0]=3 1149 B13R1.351 CN(C)C(=O)C=Cc1cccnc1 11a_100102631434_100000735890 [0,1,1,0,0,0|1,0,0]=3 1150 B13R1.351 CN(C)C(=O)C=Cc1cccnc1 240690a_100102631434_100000735890 [0,1,1,0,0,0|1,0,0]=3 1151 B13R1.351 CN(C)C(=O)C=Cc1ccncc1 240690a_100102631434_100000682801 [0,1,1,0,0,0|1,0,0]=3 1152 B13R1.351 CN(C)C(=O)CCc1ccccc1 11a_100102631434_100000185753 [0,1,1,0,0,0|0,0,2]=4 1153 B13R1.351 CN(C)C(=O)CCc1ccccc1 1626a_100102631434_100000185753 [0,1,1,0,0,0|0,0,2]=4 1154 B13R1.351 CN(C)C(=O)CCc1ccccc1 240690a_100102631434_100000185753 [0,1,1,0,0,0|0,0,2]=4 1155 B13R1.351 CN(C)C(=O)CCc1ccccc1 271570a_200010232142_100000210277 [0,1,1,0,0,0|0,0,2]=4 1156 B13R1.351 CN(C)C(=O)CCc1ccccc1 527a_100102631434_100000185753 [0,1,1,0,0,0|0,0,2]=4 1157 B13R1.351 CN(C)C(=O)CNc1ccccc1 34a_100000106764_100000692301 [0,1,1,0,0,0|1,0,1]=4 1158 B13R1.351 CN(C)C(=O)COc1ccccc1 11a_100102631434_100000186222 [0,1,1,0,0,0|1,0,1]=4 1159 B13R1.351 CN(C)C(=O)COc1ccccc1 1626a_100102631434_100000186222 [0,1,1,0,0,0|1,0,1]=4 1160 B13R1.351 CN(C)C(=O)COc1ccccc1 240690a_100102631434_100000186222 [0,1,1,0,0,0|1,0,1]=4 1161 B13R1.351 CN(C)C(=O)COc1ccccc1 34a_100000210340_100000692301 [0,1,1,0,0,0|1,0,1]=4 1162 B13R1.351 CN(C)C(=O)COc1ccccc1 527a_100102631434_100000186222 [0,1,1,0,0,0|1,0,1]=4 1163 B13R1.351 CN(C)C(=O)COc1ccccc1 7a_100000210340_100000692301 [0,1,1,0,0,0|1,0,1]=4 1164 B13R1.351 CN(C)C(=O)CSc1ccccc1 11a_100102631434_100000211596 [0,1,1,0,0,0|1,0,1]=4 1165 B13R1.351 CN(C)C(=O)CSc1ccccc1 1626a_100102631434_100000211596 [0,1,1,0,0,0|1,0,1]=4 1166 B13R1.351 CN(C)C(=O)CSc1ccccc1 240690a_100102631434_100000211596 [0,1,1,0,0,0|1,0,1]=4 1167 B13R1.351 CN(C)C(=O)CSc1ccccc1 527a_100102631434_100000211596 [0,1,1,0,0,0|1,0,1]=4 1168 B13R1.351 CN(C)C(=O)CSc1ccccc1 62a_100000692301_100000041952 [0,1,1,0,0,0|1,0,1]=4 1169 B13R1.351 CN(C)C(=O)CSc1ccccc1 62a_100000719477_100000692301 [0,1,1,0,0,0|1,0,1]=4 1170 B13R1.351 CN(C)C(=O)NCc1ccccc1 2708a_100015324214_100102631434 [0,1,1,0,0,0|1,0,1]=4 1171 B13R1.528 CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210202 [0,1,1,0,0,0|1,0,0]=3 1172 B13R1.528 CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210202 [0,1,1,0,0,0|1,0,0]=3 1173 B13R1.528 CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210202 [0,1,1,0,0,0|1,0,0]=3 1174 B13R1.528 CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210202 [0,1,1,0,0,0|1,0,0]=3 1175 B13R1.528 CNC(=O)C=Cc1ccccc1Br 11a_106832991635_100000719032 [0,1,1,0,0,0|0,0,0]=2 1176 B13R1.528 CNC(=O)C=Cc1ccccc1Br 1626a_100102657272_100000719032 [0,1,1,0,0,0|0,0,0]=2 1177 B13R1.528 CNC(=O)C=Cc1ccccc1Br 240690a_100102657272_100000719032 [0,1,1,0,0,0|0,0,0]=2 1178 B13R1.528 CNC(=O)C=Cc1ccccc1C 1626a_100102657272_100016266485 [0,1,1,0,0,0|0,0,0]=2 1179 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 11a_106832991635_100000720304 [0,1,1,0,0,0|0,0,0]=2 1180 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 1626a_100102657272_100000720304 [0,1,1,0,0,0|0,0,0]=2 1181 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 240690a_100102657272_100000720304 [0,1,1,0,0,0|0,0,0]=2 1182 B13R1.528 CNC(=O)C=Cc1ccccc1F 11a_106832991635_100016256065 [0,1,1,0,0,0|0,0,0]=2 1183 B13R1.528 CNC(=O)C=Cc1ccccc1F 1626a_100102657272_100016256065 [0,1,1,0,0,0|0,0,0]=2 1184 B13R1.528 CNC(=O)C=Cc1ccccc1F 240690a_100102657272_100016256065 [0,1,1,0,0,0|0,0,0]=2 1185 B13R1.528 CNC(=O)CCc1ccccc1Br 11a_106832991635_100000740810 [0,1,1,0,0,0|0,0,2]=4 1186 B13R1.528 CNC(=O)CCc1ccccc1Br 1626a_100102657272_100000740810 [0,1,1,0,0,0|0,0,2]=4 1187 B13R1.528 CNC(=O)CCc1ccccc1Br 240690a_100102657272_100000740810 [0,1,1,0,0,0|0,0,2]=4 1188 B13R1.528 CNC(=O)CCc1ccccc1Br 527a_100102657272_100000740810 [0,1,1,0,0,0|0,0,2]=4 1189 B13R1.528 CNC(=O)CCc1ccccc1C 11a_106832991635_100000748742 [0,1,1,0,0,0|0,0,2]=4 1190 B13R1.528 CNC(=O)CCc1ccccc1C 1626a_100102657272_100000748742 [0,1,1,0,0,0|0,0,2]=4 1191 B13R1.528 CNC(=O)CCc1ccccc1C 240690a_100102657272_100000748742 [0,1,1,0,0,0|0,0,2]=4 1192 B13R1.528 CNC(=O)CCc1ccccc1C 527a_100102657272_100000748742 [0,1,1,0,0,0|0,0,2]=4 1193 B13R1.528 CNC(=O)CCc1ccccc1Cl 11a_106832991635_100000184300 [0,1,1,0,0,0|0,0,2]=4 1194 B13R1.528 CNC(=O)CCc1ccccc1Cl 1626a_100102657272_100000184300 [0,1,1,0,0,0|0,0,2]=4 1195 B13R1.528 CNC(=O)CCc1ccccc1Cl 240690a_100102657272_100000184300 [0,1,1,0,0,0|0,0,2]=4 1196 B13R1.528 CNC(=O)CCc1ccccc1Cl 527a_100102657272_100000184300 [0,1,1,0,0,0|0,0,2]=4 1197 B13R1.528 CNC(=O)CCc1ccccc1F 11a_106832991635_100000189703 [0,1,1,0,0,0|0,0,2]=4 1198 B13R1.528 CNC(=O)CCc1ccccc1F 1626a_100102657272_100000189703 [0,1,1,0,0,0|0,0,2]=4 1199 B13R1.528 CNC(=O)CCc1ccccc1F 240690a_100102657272_100000189703 [0,1,1,0,0,0|0,0,2]=4 1200 B13R1.528 CNC(=O)CCc1ccccc1F 527a_100102657272_100000189703 [0,1,1,0,0,0|0,0,2]=4 1201 B13R1.528 CNC(=O)CCc1ccccc1I 11a_106832991635_100000037306 [0,1,1,0,0,0|0,0,2]=4 1202 B13R1.528 CNC(=O)CCc1ccccc1I 1626a_100102657272_100000037306 [0,1,1,0,0,0|0,0,2]=4 1203 B13R1.528 CNC(=O)CCc1ccccc1I 240690a_100102657272_100000037306 [0,1,1,0,0,0|0,0,2]=4 1204 B13R1.528 CNC(=O)CCc1ccccc1I 527a_100102657272_100000037306 [0,1,1,0,0,0|0,0,2]=4 1205 B13R1.528 CNC(=O)CCc1ccccc1O 11a_106832991635_100000181328 [0,1,1,0,0,0|0,0,2]=4 1206 B13R1.528 CNC(=O)CCc1ccccc1O 240690a_100102657272_100000181328 [0,1,1,0,0,0|0,0,2]=4 1207 B13R1.528 CNC(=O)CCc1ccccc1O 527a_100102657272_100000181328 [0,1,1,0,0,0|0,0,2]=4 1208 B13R1.528 CNC(=O)CNc1ccccc1Br 34a_100000210017_100000183359 [0,1,1,0,0,0|1,0,1]=4 1209 B13R1.528 CNC(=O)CNc1ccccc1C 34a_100015192222_100000183359 [0,1,1,0,0,0|1,0,1]=4 1210 B13R1.528 CNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183359 [0,1,1,0,0,0|1,0,1]=4 1211 B13R1.528 CNC(=O)CNc1ccccc1F 34a_100000210422_100000183359 [0,1,1,0,0,0|1,0,1]=4 1212 B13R1.528 CNC(=O)CNc1ccccc1I 34a_100000210053_100000183359 [0,1,1,0,0,0|1,0,1]=4 1213 B13R1.528 CNC(=O)CNc1ccccc1O 34a_100000185747_100000183359 [0,1,1,0,0,0|1,0,1]=4 1214 B13R1.528 CNC(=O)COc1ccccc1Br 11a_106832991635_100000216496 [0,1,1,0,0,0|1,0,1]=4 1215 B13R1.528 CNC(=O)COc1ccccc1Br 1626a_100102657272_100000216496 [0,1,1,0,0,0|1,0,1]=4 1216 B13R1.528 CNC(=O)COc1ccccc1Br 240690a_100102657272_100000216496 [0,1,1,0,0,0|1,0,1]=4 1217 B13R1.528 CNC(=O)COc1ccccc1Br 34a_100000181306_100000183359 [0,1,1,0,0,0|1,0,1]=4 1218 B13R1.528 CNC(=O)COc1ccccc1Br 527a_100102657272_100000216496 [0,1,1,0,0,0|1,0,1]=4 1219 B13R1.528 CNC(=O)COc1ccccc1Br 7a_100000181306_100000183359 [0,1,1,0,0,0|1,0,1]=4 1220 B13R1.528 CNC(=O)COc1ccccc1C 11a_106832991635_100000182418 [0,1,1,0,0,0|1,0,1]=4 1221 B13R1.528 CNC(=O)COc1ccccc1C 1626a_100102657272_100000182418 [0,1,1,0,0,0|1,0,1]=4 1222 B13R1.528 CNC(=O)COc1ccccc1C 240690a_100102657272_100000182418 [0,1,1,0,0,0|1,0,1]=4 1223 B13R1.528 CNC(=O)COc1ccccc1C 34a_100000210338_100000183359 [0,1,1,0,0,0|1,0,1]=4 1224 B13R1.528 CNC(=O)COc1ccccc1C 527a_100102657272_100000182418 [0,1,1,0,0,0|1,0,1]=4 1225 B13R1.528 CNC(=O)COc1ccccc1C 7a_100000210338_100000183359 [0,1,1,0,0,0|1,0,1]=4 1226 B13R1.528 CNC(=O)COc1ccccc1Cl 11a_106832991635_100000185159 [0,1,1,0,0,0|1,0,1]=4 1227 B13R1.528 CNC(=O)COc1ccccc1Cl 1626a_100102657272_100000185159 [0,1,1,0,0,0|1,0,1]=4 1228 B13R1.528 CNC(=O)COc1ccccc1Cl 240690a_100102657272_100000185159 [0,1,1,0,0,0|1,0,1]=4 1229 B13R1.528 CNC(=O)COc1ccccc1Cl 34a_100000210172_100000183359 [0,1,1,0,0,0|1,0,1]=4 1230 B13R1.528 CNC(=O)COc1ccccc1Cl 527a_100102657272_100000185159 [0,1,1,0,0,0|1,0,1]=4 1231 B13R1.528 CNC(=O)COc1ccccc1Cl 7a_100000210172_100000183359 [0,1,1,0,0,0|1,0,1]=4 1232 B13R1.528 CNC(=O)COc1ccccc1F 11a_106832991635_100000182486 [0,1,1,0,0,0|1,0,1]=4 1233 B13R1.528 CNC(=O)COc1ccccc1F 1626a_100102657272_100000182486 [0,1,1,0,0,0|1,0,1]=4 1234 B13R1.528 CNC(=O)COc1ccccc1F 240690a_100102657272_100000182486 [0,1,1,0,0,0|1,0,1]=4 1235 B13R1.528 CNC(=O)COc1ccccc1F 34a_100000210171_100000183359 [0,1,1,0,0,0|1,0,1]=4 1236 B13R1.528 CNC(=O)COc1ccccc1F 527a_100102657272_100000182486 [0,1,1,0,0,0|1,0,1]=4 1237 B13R1.528 CNC(=O)COc1ccccc1F 7a_100000210171_100000183359 [0,1,1,0,0,0|1,0,1]=4 1238 B13R1.528 CNC(=O)COc1ccccc1I 34a_100000739446_100000183359 [0,1,1,0,0,0|1,0,1]=4 1239 B13R1.528 CNC(=O)COc1ccccc1I 7a_100000739446_100000183359 [0,1,1,0,0,0|1,0,1]=4 1240 B13R1.528 CNC(=O)COc1ccccc1N 34a_100000185747_100000183359 [0,1,1,0,0,0|1,0,1]=4 1241 B13R1.528 CNC(=O)COc1ccccc1N 7a_100000185747_100000183359 [0,1,1,0,0,0|1,0,1]=4 1242 B13R1.528 CNC(=O)COc1ccccc1O 240690a_100102657272_100000183020 [0,1,1,0,0,0|1,0,1]=4 1243 B13R1.528 CNC(=O)COc1ccccc1O 271570a_203496583355_200000148481 [0,1,1,0,0,0|1,0,1]=4 1244 B13R1.528 CNC(=O)COc1ccccc1O 527a_100102657272_100000183020 [0,1,1,0,0,0|1,0,1]=4 1245 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000183359_100000695589 [0,1,1,0,0,0|1,0,1]=4 1246 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000695589_100000183359 [0,1,1,0,0,0|1,0,1]=4 1247 B13R1.528 CNC(=O)CSc1ccccc1C 11a_106832991635_100000183026 [0,1,1,0,0,0|1,0,1]=4 1248 B13R1.528 CNC(=O)CSc1ccccc1C 1626a_100102657272_100000183026 [0,1,1,0,0,0|1,0,1]=4 1249 B13R1.528 CNC(=O)CSc1ccccc1C 240690a_100102657272_100000183026 [0,1,1,0,0,0|1,0,1]=4 1250 B13R1.528 CNC(=O)CSc1ccccc1C 527a_100102657272_100000183026 [0,1,1,0,0,0|1,0,1]=4 1251 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000183359_100000210755 [0,1,1,0,0,0|1,0,1]=4 1252 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000210755_100000183359 [0,1,1,0,0,0|1,0,1]=4 1253 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000183359_100000764095 [0,1,1,0,0,0|1,0,1]=4 1254 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000764095_100000183359 [0,1,1,0,0,0|1,0,1]=4 1255 B13R1.528 CNC(=O)CSc1ccccc1F 11a_106832991635_100000179528 [0,1,1,0,0,0|1,0,1]=4 1256 B13R1.528 CNC(=O)CSc1ccccc1F 1626a_100102657272_100000179528 [0,1,1,0,0,0|1,0,1]=4 1257 B13R1.528 CNC(=O)CSc1ccccc1F 240690a_100102657272_100000179528 [0,1,1,0,0,0|1,0,1]=4 1258 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100000183359_100011215700 [0,1,1,0,0,0|1,0,1]=4 1259 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100011215700_100000183359 [0,1,1,0,0,0|1,0,1]=4 1260 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000183359_100000210017 [0,1,1,0,0,0|1,0,1]=4 1261 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000210017_100000183359 [0,1,1,0,0,0|1,0,1]=4 1262 B13R1.528 CNC(=O)CSc1ccccc1O 240690a_100102657272_100000695322 [0,1,1,0,0,0|1,0,1]=4 1263 B13R1.528 CNC(=O)CSc1ccccc1O 527a_100102657272_100000695322 [0,1,1,0,0,0|1,0,1]=4 1264 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000183359_100000739446 [0,1,1,0,0,0|1,0,1]=4 1265 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000739446_100000183359 [0,1,1,0,0,0|1,0,1]=4 1266 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100000689332_106832991635 [0,1,1,0,0,0|1,0,1]=4 1267 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100102657272_100000689332 [0,1,1,0,0,0|1,0,1]=4 1268 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100000689332_100102657272 [0,1,1,0,0,0|1,0,1]=4 1269 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100102657272_100000689332 [0,1,1,0,0,0|1,0,1]=4 1270 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_100000689332_100102657272 [0,1,1,0,0,0|1,0,1]=4 1271 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_106832991638_100000689332 [0,1,1,0,0,0|1,0,1]=4 1272 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100000174972_106832991635 [0,1,1,0,0,0|1,0,1]=4 1273 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100102657272_100000174972 [0,1,1,0,0,0|1,0,1]=4 1274 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100000174972_100102657272 [0,1,1,0,0,0|1,0,1]=4 1275 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100102657272_100000174972 [0,1,1,0,0,0|1,0,1]=4 1276 B13R1.528 CNC(=O)NCc1ccccc1C 512a_100000174972_100102657272 [0,1,1,0,0,0|1,0,1]=4 1277 B13R1.528 CNC(=O)NCc1ccccc1C 512a_106832991638_100000174972 [0,1,1,0,0,0|1,0,1]=4 1278 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100000174879_106832991635 [0,1,1,0,0,0|1,0,1]=4 1279 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100102657272_100000174879 [0,1,1,0,0,0|1,0,1]=4 1280 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100000174879_100102657272 [0,1,1,0,0,0|1,0,1]=4 1281 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100102657272_100000174879 [0,1,1,0,0,0|1,0,1]=4 1282 B13R1.528 CNC(=O)NCc1ccccc1Cl 512a_106832991638_100000174879 [0,1,1,0,0,0|1,0,1]=4 1283 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100000174869_106832991635 [0,1,1,0,0,0|1,0,1]=4 1284 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100102657272_100000174869 [0,1,1,0,0,0|1,0,1]=4 1285 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100000174869_100102657272 [0,1,1,0,0,0|1,0,1]=4 1286 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100102657272_100000174869 [0,1,1,0,0,0|1,0,1]=4 1287 B13R1.528 CNC(=O)NCc1ccccc1F 512a_100000174869_100102657272 [0,1,1,0,0,0|1,0,1]=4 1288 B13R1.528 CNC(=O)NCc1ccccc1F 512a_106832991638_100000174869 [0,1,1,0,0,0|1,0,1]=4 1289 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100015347259_106832991635 [0,1,1,0,0,0|1,0,1]=4 1290 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100102657272_100015347259 [0,1,1,0,0,0|1,0,1]=4 1291 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100015347259_100102657272 [0,1,1,0,0,0|1,0,1]=4 1292 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100102657272_100015347259 [0,1,1,0,0,0|1,0,1]=4 1293 B13R1.528 CNC(=O)NCc1ccccc1I 512a_100015347259_100102657272 [0,1,1,0,0,0|1,0,1]=4 1294 B13R1.528 CNC(=O)NCc1ccccc1I 512a_106832991638_100015347259 [0,1,1,0,0,0|1,0,1]=4 1295 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100000185550_106832991635 [0,1,1,0,0,0|1,0,1]=4 1296 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100102657272_100000185550 [0,1,1,0,0,0|1,0,1]=4 1297 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100000185550_100102657272 [0,1,1,0,0,0|1,0,1]=4 1298 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100102657272_100000185550 [0,1,1,0,0,0|1,0,1]=4 1299 B13R1.528 CNC(=O)NCc1ccccc1O 512a_100000185550_100102657272 [0,1,1,0,0,0|1,0,1]=4 1300 B13R1.528 CNC(=O)NNc1ccccc1Br 273464a_100102657272_100000241748 [0,1,1,0,0,0|2,0,0]=4 1301 B13R1.528 CNC(=O)NNc1ccccc1Br 512a_106832991638_100000241748 [0,1,1,0,0,0|2,0,0]=4 1302 B13R1.528 CNC(=O)NNc1ccccc1C 273464a_100102657272_100000184220 [0,1,1,0,0,0|2,0,0]=4 1303 B13R1.528 CNC(=O)NNc1ccccc1C 512a_106832991638_100000184220 [0,1,1,0,0,0|2,0,0]=4 1304 B13R1.528 CNC(=O)NNc1ccccc1Cl 273464a_100102657272_100000683529 [0,1,1,0,0,0|2,0,0]=4 1305 B13R1.528 CNC(=O)NNc1ccccc1Cl 512a_106832991638_100000683529 [0,1,1,0,0,0|2,0,0]=4 1306 B13R1.528 CNC(=O)NNc1ccccc1F 273464a_100102657272_100000239246 [0,1,1,0,0,0|2,0,0]=4 1307 B13R1.528 CNC(=O)NNc1ccccc1F 512a_106832991638_100000239246 [0,1,1,0,0,0|2,0,0]=4 1308 B13R1.528 CNC(=O)NNc1ccccc1I 273464a_100102657272_100011218156 [0,1,1,0,0,0|2,0,0]=4 1309 B13R1.528 CNC(=O)NNc1ccccc1I 512a_106832991638_100011218156 [0,1,1,0,0,0|2,0,0]=4 1310 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [0,1,1,0,0,0|1,0,0]=3 1311 B13R1.528 O=C(C=Cc1ccccc1Br)CF 1458a_100000719032_100015361967 [0,1,1,0,0,0|2,0,0]=4 1312 B13R1.528 O=C(C=Cc1ccccc1Cl)CF 1458a_100000720304_100015361967 [0,1,1,0,0,0|2,0,0]=4 1313 B13R1.528 O=C(C=Cc1ccccc1F)CF 1458a_100016256065_100015361967 [0,1,1,0,0,0|2,0,0]=4 1314 B13R1.528 O=C(C=Cc1ccccc1O)CF 1458a_100016263591_100015361967 [0,1,1,0,0,0|2,0,0]=4 1315 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)Br 1458a_100000185746_100000755118 [0,1,1,0,0,0|1,0,0]=3 1316 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)C 1458a_100000185746_100011261388 [0,1,1,0,0,0|1,0,0]=3 1317 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000185746_100000684792 [0,1,1,0,0,0|1,0,0]=3 1318 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)F 1458a_100000185746_100000743420 [0,1,1,0,0,0|1,0,0]=3 1319 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100000185746 [0,1,1,0,0,0|0,0,0]=2 1320 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000185746 [0,1,1,0,0,0|0,0,0]=2 1321 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100000185746 [0,1,1,0,0,0|0,0,0]=2 1322 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000185746 [0,1,1,0,0,0|0,0,0]=2 1323 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100000185746 [0,1,1,0,0,0|0,0,0]=2 1324 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000185746 [0,1,1,0,0,0|0,0,0]=2 1325 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100000185746 [0,1,1,0,0,0|0,0,0]=2 1326 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000185746 [0,1,1,0,0,0|0,0,0]=2 1327 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100000185746 [0,1,1,0,0,0|0,0,0]=2 1328 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000185746 [0,1,1,0,0,0|0,0,0]=2 1329 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000185746 [0,1,1,0,0,0|0,0,0]=2 1330 B13R1.21 C=CC(C)N(C)c1ccc(cc1)Br 269982a_100000219623_100011215867 [0,1,1,0,0,0|1,0,1]=4 1331 B13R1.21 C=CC(C)N(C)c1ccc(cc1)C 269982a_100000219977_100011215867 [0,1,1,0,0,0|1,0,1]=4 1332 B13R1.21 C=CC(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100011215867 [0,1,1,0,0,0|1,0,1]=4 1333 B13R1.21 C=CC(C)N(C)c1ccc(cc1)F 269982a_100000219829_100011215867 [0,1,1,0,0,0|1,0,1]=4 1334 B13R1.21 C=CC(C)N(C)c1ccc(cc1)I 269982a_100000743151_100011215867 [0,1,1,0,0,0|1,0,1]=4 1335 B13R1.21 C=CC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100011215867 [0,1,1,0,0,0|1,0,1]=4 1336 B13R1.21 CCC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100000210414 [0,1,1,0,0,0|0,0,2]=4 1337 B13R1.21 CCC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100000210414 [0,1,1,0,0,0|0,0,2]=4 1338 B13R1.21 CCC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000210414 [0,1,1,0,0,0|0,0,2]=4 1339 B13R1.21 CCC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100000210414 [0,1,1,0,0,0|0,0,2]=4 1340 B13R1.21 CCC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100000210414 [0,1,1,0,0,0|0,0,2]=4 1341 B13R1.21 CCC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000210414 [0,1,1,0,0,0|0,0,2]=4 1342 B13R1.21 CCC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100000210414 [0,1,1,0,0,0|0,0,2]=4 1343 B13R1.21 CCC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100000210414 [0,1,1,0,0,0|0,0,2]=4 1344 B13R1.21 CCC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000210414 [0,1,1,0,0,0|0,0,2]=4 1345 B13R1.21 CCC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100000210414 [0,1,1,0,0,0|0,0,2]=4 1346 B13R1.21 CCC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100000210414 [0,1,1,0,0,0|0,0,2]=4 1347 B13R1.21 CCC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000210414 [0,1,1,0,0,0|0,0,2]=4 1348 B13R1.21 CCC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100000210414 [0,1,1,0,0,0|0,0,2]=4 1349 B13R1.21 CCC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100000210414 [0,1,1,0,0,0|0,0,2]=4 1350 B13R1.21 CCC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000210414 [0,1,1,0,0,0|0,0,2]=4 1351 B13R1.21 CCC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000210414 [0,1,1,0,0,0|0,0,2]=4 1352 B13R1.21 CCC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100000210414 [0,1,1,0,0,0|0,0,2]=4 1353 B13R1.21 CN(C(=O)CO)c1ccc(cc1)Br 22a_100000219623_100000210174 [0,1,1,0,0,0|1,0,1]=4 1354 B13R1.21 CN(C(=O)CO)c1ccc(cc1)Cl 22a_100020629279_100000210174 [0,1,1,0,0,0|1,0,1]=4 1355 B13R1.21 CN(C(=O)CO)c1ccc(cc1)F 22a_100000219829_100000210174 [0,1,1,0,0,0|1,0,1]=4 1356 B13R1.21 CN(C(=O)CO)c1ccc(cc1)I 22a_100000743151_100000210174 [0,1,1,0,0,0|1,0,1]=4 1357 B13R1.21 CN(C(=O)CO)c1ccc(cc1)O 22a_100000182112_100000210174 [0,1,1,0,0,0|1,0,1]=4 1358 B13R1.21 CN(C(=O)CO)c1ccc(cc1)O 527a_100000182112_100000210174 [0,1,1,0,0,0|1,0,1]=4 1359 B13R1.21 CNC(=O)N(C)c1ccc(cc1)Br 512a_106832991638_100000219623 [0,1,1,0,0,0|1,0,1]=4 1360 B13R1.21 CNC(=O)N(C)c1ccc(cc1)C 512a_106832991638_100000219977 [0,1,1,0,0,0|1,0,1]=4 1361 B13R1.21 CNC(=O)N(C)c1ccc(cc1)I 512a_100000743151_100102657272 [0,1,1,0,0,0|1,0,1]=4 1362 B13R1.21 Cc1ccc(cc1)N(C)C(=O)CO 22a_100000219977_100000210174 [0,1,1,0,0,0|1,0,1]=4 1363 B13R1.22 C=CC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100000185746 [0,1,1,0,0,0|0,0,0]=2 1364 B13R1.22 C=CC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000185746 [0,1,1,0,0,0|0,0,0]=2 1365 B13R1.22 C=CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100000185746 [0,1,1,0,0,0|0,0,0]=2 1366 B13R1.22 C=CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000185746 [0,1,1,0,0,0|0,0,0]=2 1367 B13R1.22 C=CC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100000185746 [0,1,1,0,0,0|0,0,0]=2 1368 B13R1.22 C=CC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000185746 [0,1,1,0,0,0|0,0,0]=2 1369 B13R1.22 C=CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100000185746 [0,1,1,0,0,0|0,0,0]=2 1370 B13R1.22 C=CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000185746 [0,1,1,0,0,0|0,0,0]=2 1371 B13R1.22 C=CC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100000185746 [0,1,1,0,0,0|0,0,0]=2 1372 B13R1.22 C=CC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000185746 [0,1,1,0,0,0|0,0,0]=2 1373 B13R1.22 C=CC(C)N(C)c1cccc(c1)Br 269982a_100000219648_100011215867 [0,1,1,0,0,0|1,0,1]=4 1374 B13R1.22 C=CC(C)N(C)c1cccc(c1)C 269982a_100000219674_100011215867 [0,1,1,0,0,0|1,0,1]=4 1375 B13R1.22 C=CC(C)N(C)c1cccc(c1)Cl 269982a_100000220044_100011215867 [0,1,1,0,0,0|1,0,1]=4 1376 B13R1.22 C=CC(C)N(C)c1cccc(c1)F 269982a_100020633736_100011215867 [0,1,1,0,0,0|1,0,1]=4 1377 B13R1.22 C=CC(C)N(C)c1cccc(c1)I 269982a_100000221217_100011215867 [0,1,1,0,0,0|1,0,1]=4 1378 B13R1.22 C=CC(C)N(C)c1cccc(c1)O 269982a_100000756613_100011215867 [0,1,1,0,0,0|1,0,1]=4 1379 B13R1.22 CCC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100000210414 [0,1,1,0,0,0|0,0,2]=4 1380 B13R1.22 CCC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100000210414 [0,1,1,0,0,0|0,0,2]=4 1381 B13R1.22 CCC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000210414 [0,1,1,0,0,0|0,0,2]=4 1382 B13R1.22 CCC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100000210414 [0,1,1,0,0,0|0,0,2]=4 1383 B13R1.22 CCC(=O)N(C)c1cccc(c1)C 11a_100000219674_100000210414 [0,1,1,0,0,0|0,0,2]=4 1384 B13R1.22 CCC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100000210414 [0,1,1,0,0,0|0,0,2]=4 1385 B13R1.22 CCC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000210414 [0,1,1,0,0,0|0,0,2]=4 1386 B13R1.22 CCC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100000210414 [0,1,1,0,0,0|0,0,2]=4 1387 B13R1.22 CCC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100000210414 [0,1,1,0,0,0|0,0,2]=4 1388 B13R1.22 CCC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000210414 [0,1,1,0,0,0|0,0,2]=4 1389 B13R1.22 CCC(=O)N(C)c1cccc(c1)F 11a_100020633736_100000210414 [0,1,1,0,0,0|0,0,2]=4 1390 B13R1.22 CCC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100000210414 [0,1,1,0,0,0|0,0,2]=4 1391 B13R1.22 CCC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000210414 [0,1,1,0,0,0|0,0,2]=4 1392 B13R1.22 CCC(=O)N(C)c1cccc(c1)I 11a_100000221217_100000210414 [0,1,1,0,0,0|0,0,2]=4 1393 B13R1.22 CCC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100000210414 [0,1,1,0,0,0|0,0,2]=4 1394 B13R1.22 CCC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000210414 [0,1,1,0,0,0|0,0,2]=4 1395 B13R1.22 CCC(=O)N(C)c1cccc(c1)O 527a_100000756613_100000210414 [0,1,1,0,0,0|0,0,2]=4 1396 B13R1.22 CN(C(=O)CO)c1cccc(c1)Br 22a_100000219648_100000210174 [0,1,1,0,0,0|1,0,1]=4 1397 B13R1.22 CN(C(=O)CO)c1cccc(c1)Br 527a_100000219648_100000210174 [0,1,1,0,0,0|1,0,1]=4 1398 B13R1.22 CN(C(=O)CO)c1cccc(c1)Cl 22a_100000220044_100000210174 [0,1,1,0,0,0|1,0,1]=4 1399 B13R1.22 CN(C(=O)CO)c1cccc(c1)F 22a_100020633736_100000210174 [0,1,1,0,0,0|1,0,1]=4 1400 B13R1.22 CN(C(=O)CO)c1cccc(c1)I 22a_100000221217_100000210174 [0,1,1,0,0,0|1,0,1]=4 1401 B13R1.22 CN(C(=O)CO)c1cccc(c1)O 527a_100000756613_100000210174 [0,1,1,0,0,0|1,0,1]=4 1402 B13R1.22 CNC(=O)N(C)c1cccc(c1)Br 512a_100000219648_100102657272 [0,1,1,0,0,0|1,0,1]=4 1403 B13R1.22 CNC(=O)N(C)c1cccc(c1)Br 512a_106832991638_100000219648 [0,1,1,0,0,0|1,0,1]=4 1404 B13R1.22 CNC(=O)N(C)c1cccc(c1)C 512a_100000219674_100102657272 [0,1,1,0,0,0|1,0,1]=4 1405 B13R1.22 CNC(=O)N(C)c1cccc(c1)C 512a_106832991638_100000219674 [0,1,1,0,0,0|1,0,1]=4 1406 B13R1.22 CNC(=O)N(C)c1cccc(c1)Cl 512a_100000220044_100102657272 [0,1,1,0,0,0|1,0,1]=4 1407 B13R1.22 CNC(=O)N(C)c1cccc(c1)F 512a_100020633736_100102657272 [0,1,1,0,0,0|1,0,1]=4 1408 B13R1.22 CNC(=O)N(C)c1cccc(c1)I 512a_100000221217_100102657272 [0,1,1,0,0,0|1,0,1]=4 1409 B13R1.22 CNC(=O)N(C)c1cccc(c1)I 512a_106832991638_100000221217 [0,1,1,0,0,0|1,0,1]=4 1410 B13R1.22 CNC(=O)N(C)c1cccc(c1)O 512a_100000756613_100102657272 [0,1,1,0,0,0|1,0,1]=4 1411 B13R1.22 Cc1cccc(c1)N(C)C(=O)CO 22a_100000219674_100000210174 [0,1,1,0,0,0|1,0,1]=4 1412 B13R1.47 C#CCC(=O)N(C)c1ccccc1 1626a_100000210012_100011220946 [0,1,1,0,0,0|0,0,2]=4 1413 B13R1.47 C=CCC(=O)C(=C)c1ccccc1 1458a_100000065200_100000210623 [0,1,1,0,0,0|1,0,1]=4 1414 B13R1.47 C=CCC(=O)C(C)c1ccccc1 1458a_100000210193_100000230085 [0,1,1,0,0,0|1,0,0]=3 1415 B13R1.47 C=CCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210623 [0,1,1,0,0,0|2,0,0]=4 1416 B13R1.47 C=CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210623 [0,1,1,0,0,0|2,0,0]=4 1417 B13R1.47 C=CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210193 [0,1,1,0,0,0|0,0,0]=2 1418 B13R1.47 C=CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210193 [0,1,1,0,0,0|0,0,0]=2 1419 B13R1.47 C=CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210193 [0,1,1,0,0,0|0,0,0]=2 1420 B13R1.47 C=CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210623 [0,1,1,0,0,0|1,0,0]=3 1421 B13R1.47 C=CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210623 [0,1,1,0,0,0|2,0,0]=4 1422 B13R1.47 CC#CC(=O)N(C)c1ccccc1 22a_100000210012_100000763181 [0,1,1,0,0,0|0,0,2]=4 1423 B13R1.47 CC(C(=O)C=CBr)c1ccccc1 1458a_100016273825_100000230085 [0,1,1,0,0,0|1,0,0]=3 1424 B13R1.47 CC(C(=O)C=CCl)c1ccccc1 1458a_200016279998_100000230085 [0,1,1,0,0,0|1,0,0]=3 1425 B13R1.47 CC(C(=O)C=CI)c1ccccc1 1458a_100016256311_100000230085 [0,1,1,0,0,0|1,0,0]=3 1426 B13R1.47 CC=CC(=O)C(C)c1ccccc1 1458a_100000210699_100000230085 [0,1,1,0,0,0|1,0,0]=3 1427 B13R1.47 CC=CC(=O)N(C)c1ccccc1 11a_100000210012_100000210699 [0,1,1,0,0,0|0,0,0]=2 1428 B13R1.47 CC=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000210699 [0,1,1,0,0,0|0,0,0]=2 1429 B13R1.47 CC=CC(=O)N(C)c1ccccc1 22a_100000210012_100000210699 [0,1,1,0,0,0|0,0,0]=2 1430 B13R1.47 CCCC(=O)N(C)c1ccccc1 11a_100000210012_100000211992 [0,1,1,0,0,0|0,0,2]=4 1431 B13R1.47 CCCC(=O)N(C)c1ccccc1 1626a_100000210012_100000211992 [0,1,1,0,0,0|0,0,2]=4 1432 B13R1.47 CCCC(=O)N(C)c1ccccc1 22a_100000210012_100000211992 [0,1,1,0,0,0|0,0,2]=4 1433 B13R1.47 CCNC(=O)N(C)c1ccccc1 512a_100015525214_100000210012 [0,1,1,0,0,0|0,0,2]=4 1434 B13R1.47 CN(C(=O)C=CBr)c1ccccc1 1626a_100000210012_100016273825 [0,1,1,0,0,0|0,0,0]=2 1435 B13R1.47 CN(C(=O)C=CCl)c1ccccc1 11a_100000210012_200016279998 [0,1,1,0,0,0|0,0,0]=2 1436 B13R1.47 CN(C(=O)C=CCl)c1ccccc1 1626a_100000210012_200016279998 [0,1,1,0,0,0|0,0,0]=2 1437 B13R1.47 CN(C(=O)C=CI)c1ccccc1 1626a_100000210012_100016256311 [0,1,1,0,0,0|0,0,0]=2 1438 B13R1.47 CN(C(=O)CC#N)c1ccccc1 1626a_100000210012_100051588842 [0,1,1,0,0,0|0,0,2]=4 1439 B13R1.47 CN(C(=O)CC#N)c1ccccc1 22a_100000210012_100051588842 [0,1,1,0,0,0|0,0,2]=4 1440 B13R1.47 CN(C(=O)CCO)c1ccccc1 22a_100000210012_100011216618 [0,1,1,0,0,0|0,0,2]=4 1441 B13R1.47 CN(C(=O)CN[13CH3])c1ccccc1 2230a_200000174886_200025704644 [0,1,1,0,0,0|0,0,2]=4 1442 B13R1.47 CN(C(=O)CS[13CH3])c1ccccc1 62a_100000183487_200025704644 [0,1,1,0,0,0|0,0,2]=4 1443 B13R1.47 CN(C(=O)CS[13CH3])c1ccccc1 62a_200025704644_100000183487 [0,1,1,0,0,0|0,0,2]=4 1444 B13R1.47 CNCC(=O)N(C)c1ccccc1 2230a_106832991635_100000183487 [0,1,1,0,0,0|0,0,2]=4 1445 B13R1.47 CNCC(=O)N(C)c1ccccc1 2230a_200000174886_200000210301 [0,1,1,0,0,0|0,0,2]=4 1446 B13R1.47 CNCC(=O)N(C)c1ccccc1 34a_100102657272_100000183487 [0,1,1,0,0,0|0,0,2]=4 1447 B13R1.47 CNCC(=O)N(C)c1ccccc1 7a_106832991635_100000183487 [0,1,1,0,0,0|0,0,2]=4 1448 B13R1.47 CNNC(=O)N(C)c1ccccc1 512a_100016993582_100000210012 [0,1,1,0,0,0|1,0,1]=4 1449 B13R1.47 COCC(=O)N(C)c1ccccc1 11a_100000210012_100000210968 [0,1,1,0,0,0|0,0,2]=4 1450 B13R1.47 COCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210968 [0,1,1,0,0,0|0,0,2]=4 1451 B13R1.47 COCC(=O)N(C)c1ccccc1 22a_100000210012_100000210968 [0,1,1,0,0,0|0,0,2]=4 1452 B13R1.47 COCC(=O)N(C)c1ccccc1 34a_100138415774_100000183487 [0,1,1,0,0,0|0,0,2]=4 1453 B13R1.47 CSCC(=O)N(C)c1ccccc1 11a_100000210012_100000184570 [0,1,1,0,0,0|0,0,2]=4 1454 B13R1.47 CSCC(=O)N(C)c1ccccc1 1626a_100000210012_100000184570 [0,1,1,0,0,0|0,0,2]=4 1455 B13R1.47 CSCC(=O)N(C)c1ccccc1 22a_100000210012_100000184570 [0,1,1,0,0,0|0,0,2]=4 1456 B13R1.47 CSCC(=O)N(C)c1ccccc1 62a_100000183487_200000210301 [0,1,1,0,0,0|0,0,2]=4 1457 B13R1.47 CSCC(=O)N(C)c1ccccc1 62a_200000210301_100000183487 [0,1,1,0,0,0|0,0,2]=4 1458 B13R1.86 CN(c1ccccc1)C(C=O)C=O 2230a_100000210012_100000736813 [0,1,1,0,0,0|1,0,1]=4 1459 B13R1.86 CN(c1ccccc1)C(C=O)C=O 34a_100000210012_100000736813 [0,1,1,0,0,0|1,0,1]=4 1460 B13R1.152 C=C(Br)C(=O)N(C)c1ccccc1 11a_100000210012_100009813364 [0,1,1,0,0,0|0,0,0]=2 1461 B13R1.152 C=C(Br)C(=O)N(C)c1ccccc1 1626a_100000210012_100009813364 [0,1,1,0,0,0|0,0,0]=2 1462 B13R1.152 C=C(C)C(=O)C(C)c1ccccc1 1458a_100000185857_100000230085 [0,1,1,0,0,0|1,0,0]=3 1463 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 11a_100000210012_100000185857 [0,1,1,0,0,0|0,0,0]=2 1464 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 1626a_100000210012_100000185857 [0,1,1,0,0,0|0,0,0]=2 1465 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 22a_100000210012_100000185857 [0,1,1,0,0,0|0,0,0]=2 1466 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 11a_100000210012_100000039160 [0,1,1,0,0,0|0,0,0]=2 1467 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 1626a_100000210012_100000039160 [0,1,1,0,0,0|0,0,0]=2 1468 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 22a_100000210012_100000039160 [0,1,1,0,0,0|0,0,0]=2 1469 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 11a_100000210012_100000036797 [0,1,1,0,0,0|0,0,0]=2 1470 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 1626a_100000210012_100000036797 [0,1,1,0,0,0|0,0,0]=2 1471 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 22a_100000210012_100000036797 [0,1,1,0,0,0|0,0,0]=2 1472 B13R1.152 CC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_200000210301 [0,1,1,0,0,0|0,0,1]=3 1473 B13R1.152 CC(C)C(=O)N(C)c1ccccc1 11a_100000210012_100000210198 [0,1,1,0,0,0|0,0,2]=4 1474 B13R1.152 CC(C)C(=O)N(C)c1ccccc1 1626a_100000210012_100000210198 [0,1,1,0,0,0|0,0,2]=4 1475 B13R1.152 CC(C)C(=O)N(C)c1ccccc1 22a_100000210012_100000210198 [0,1,1,0,0,0|0,0,2]=4 1476 B13R1.152 CC(F)C(=O)N(C)c1ccccc1 11a_100000210012_100000062450 [0,1,1,0,0,0|0,0,2]=4 1477 B13R1.152 CC(F)C(=O)N(C)c1ccccc1 1626a_100000210012_100000062450 [0,1,1,0,0,0|0,0,2]=4 1478 B13R1.152 CC(F)C(=O)N(C)c1ccccc1 22a_100000210012_100000062450 [0,1,1,0,0,0|0,0,2]=4 1479 B13R1.152 CN(C(=O)C(=O)N)c1ccccc1 22a_100000210012_100011215815 [0,1,1,0,0,0|1,0,0]=3 1480 B13R1.152 CN(C(=O)C(=O)[13CH3])c1ccccc1 1458a_100011297159_200025704644 [0,1,1,0,0,0|0,0,1]=3 1481 B13R1.152 CN(C(=O)C(F)F)c1ccccc1 11a_100000210012_100000210393 [0,1,1,0,0,0|1,0,1]=4 1482 B13R1.152 CN(C(=O)C(F)F)c1ccccc1 1626a_100000210012_100000210393 [0,1,1,0,0,0|1,0,1]=4 1483 B13R1.152 CN(C(=O)C(F)F)c1ccccc1 22a_100000210012_100000210393 [0,1,1,0,0,0|1,0,1]=4 1484 B13R1.152 CN(C(=O)C(O)O)c1ccccc1 22a_100000210012_100000233687 [0,1,1,0,0,0|1,0,1]=4 1485 B13R1.152 C[C@@H](O)C(=O)N(C)c1ccccc1 22a_100000210012_100000717761 [0,1,1,0,0,0|0,0,2]=4 1486 B13R1.152 C[C@H](O)C(=O)N(C)c1ccccc1 1626a_100000210012_217856618621 [0,1,1,0,0,0|0,0,2]=4 1487 B13R1.152 C[C@H](O)C(=O)N(C)c1ccccc1 22a_100000210012_217856618621 [0,1,1,0,0,0|0,0,2]=4 1488 B13R1.263 C=CC(F)(F)N(C)c1ccccc1 269982a_100000210012_100009814244 [0,1,1,0,0,0|1,0,1]=4 1489 B13R1.532 C=CC(=O)N(CC)c1ccccc1 1626a_100000210013_100000185746 [0,1,1,0,0,0|0,0,0]=2 1490 B13R1.532 C=CC(=O)N(CC)c1ccccc1 22a_100000210013_100000185746 [0,1,1,0,0,0|0,0,0]=2 1491 B13R1.532 C=CC(C)N(CC)c1ccccc1 269982a_100000210013_100011215867 [0,1,1,0,0,0|1,0,1]=4 1492 B13R1.532 CCC(=O)N(CC)c1ccccc1 11a_100000210013_100000210414 [0,1,1,0,0,0|0,0,2]=4 1493 B13R1.532 CCC(=O)N(CC)c1ccccc1 1626a_100000210013_100000210414 [0,1,1,0,0,0|0,0,2]=4 1494 B13R1.532 CCC(=O)N(CC)c1ccccc1 22a_100000210013_100000210414 [0,1,1,0,0,0|0,0,2]=4 1495 B13R1.532 CCN(C(=O)CO)c1ccccc1 22a_100000210013_100000210174 [0,1,1,0,0,0|1,0,1]=4 1496 B13R1.696 C=CC(=O)C(C)c1ccccc1Cl 1458a_100000185746_100000181259 [0,1,1,0,0,0|1,0,0]=3 1497 B13R1.696 C=CC(=O)C(C)c1ccccc1F 1458a_100000185746_200000741388 [0,1,1,0,0,0|1,0,0]=3 1498 B13R1.696 C=CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100000185746 [0,1,1,0,0,0|0,0,0]=2 1499 B13R1.696 C=CC(=O)N(C)c1ccccc1C 1626a_100000219699_100000185746 [0,1,1,0,0,0|0,0,0]=2 1500 B13R1.696 C=CC(=O)N(C)c1ccccc1C 22a_100000219699_100000185746 [0,1,1,0,0,0|0,0,0]=2 1501 B13R1.696 C=CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100000185746 [0,1,1,0,0,0|0,0,0]=2 1502 B13R1.696 C=CC(=O)N(C)c1ccccc1F 1626a_100000220357_100000185746 [0,1,1,0,0,0|0,0,0]=2 1503 B13R1.696 C=CC(=O)N(C)c1ccccc1F 22a_100000220357_100000185746 [0,1,1,0,0,0|0,0,0]=2 1504 B13R1.696 C=CC(=O)N(C)c1ccccc1O 22a_100000033821_100000185746 [0,1,1,0,0,0|0,0,0]=2 1505 B13R1.696 C=CC(C)N(C)c1ccccc1Br 269982a_100020606079_100011215867 [0,1,1,0,0,0|1,0,1]=4 1506 B13R1.696 C=CC(C)N(C)c1ccccc1C 269982a_100000219699_100011215867 [0,1,1,0,0,0|1,0,1]=4 1507 B13R1.696 C=CC(C)N(C)c1ccccc1Cl 269982a_100000219374_100011215867 [0,1,1,0,0,0|1,0,1]=4 1508 B13R1.696 C=CC(C)N(C)c1ccccc1F 269982a_100000220357_100011215867 [0,1,1,0,0,0|1,0,1]=4 1509 B13R1.696 C=CC(C)N(C)c1ccccc1O 269982a_100000033821_100011215867 [0,1,1,0,0,0|1,0,1]=4 1510 B13R1.696 CCC(=O)N(C)c1ccccc1Br 11a_100020606079_100000210414 [0,1,1,0,0,0|0,0,2]=4 1511 B13R1.696 CCC(=O)N(C)c1ccccc1Br 1626a_100020606079_100000210414 [0,1,1,0,0,0|0,0,2]=4 1512 B13R1.696 CCC(=O)N(C)c1ccccc1C 11a_100000219699_100000210414 [0,1,1,0,0,0|0,0,2]=4 1513 B13R1.696 CCC(=O)N(C)c1ccccc1C 1626a_100000219699_100000210414 [0,1,1,0,0,0|0,0,2]=4 1514 B13R1.696 CCC(=O)N(C)c1ccccc1C 22a_100000219699_100000210414 [0,1,1,0,0,0|0,0,2]=4 1515 B13R1.696 CCC(=O)N(C)c1ccccc1Cl 11a_100000219374_100000210414 [0,1,1,0,0,0|0,0,2]=4 1516 B13R1.696 CCC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100000210414 [0,1,1,0,0,0|0,0,2]=4 1517 B13R1.696 CCC(=O)N(C)c1ccccc1F 11a_100000220357_100000210414 [0,1,1,0,0,0|0,0,2]=4 1518 B13R1.696 CCC(=O)N(C)c1ccccc1F 1626a_100000220357_100000210414 [0,1,1,0,0,0|0,0,2]=4 1519 B13R1.696 CCC(=O)N(C)c1ccccc1F 22a_100000220357_100000210414 [0,1,1,0,0,0|0,0,2]=4 1520 B13R1.696 CCC(=O)N(C)c1ccccc1O 22a_100000033821_100000210414 [0,1,1,0,0,0|0,0,2]=4 1521 B13R1.696 CCC(=O)N(C)c1ccccc1O 527a_100000033821_100000210414 [0,1,1,0,0,0|0,0,2]=4 1522 B13R1.696 CN(C(=O)CO)c1ccccc1F 22a_100000220357_100000210174 [0,1,1,0,0,0|1,0,1]=4 1523 B13R1.696 CN(C(=O)CO)c1ccccc1O 22a_100000033821_100000210174 [0,1,1,0,0,0|1,0,1]=4 1524 B13R1.696 CN(C(=O)CO)c1ccccc1O 527a_100000033821_100000210174 [0,1,1,0,0,0|1,0,1]=4 1525 B13R1.696 CNC(=O)N(C)c1ccccc1Br 512a_106832991638_100020606079 [0,1,1,0,0,0|1,0,1]=4 1526 B13R1.696 CNC(=O)N(C)c1ccccc1C 512a_106832991638_100000219699 [0,1,1,0,0,0|1,0,1]=4 1527 B13R1.696 CNC(=O)N(C)c1ccccc1Cl 512a_106832991638_100000219374 [0,1,1,0,0,0|1,0,1]=4 1528 B13R1.696 Cc1ccccc1N(C)C(=O)CO 22a_100000219699_100000210174 [0,1,1,0,0,0|1,0,1]=4 1529 B13R1.708 C=CC(=O)C(C)(C)c1ccccc1 1458a_100000185746_100000034625 [0,1,1,0,0,0|1,0,0]=3 1530 B13R1.708 C=CC(=O)C(F)(F)c1ccccc1 1458a_100000185746_100000036403 [0,1,1,0,0,0|2,0,0]=4 1531 B13R1.89 CC(=O)N(C)c1ccccc1C#N 11a_100000744078_100015343762 [0,1,1,0,0,0|1,0,1]=4 1532 B13R1.89 CC(=O)N(C)c1ccccc1C#N 1626a_100000744078_100015343762 [0,1,1,0,0,0|1,0,1]=4 1533 B13R1.89 COc1ccccc1N(C)C(=O)C 11a_100000219746_100015343762 [0,1,1,0,0,0|1,0,1]=4 1534 B13R1.89 COc1ccccc1N(C)C(=O)C 1626a_100000219746_100015343762 [0,1,1,0,0,0|1,0,1]=4 1535 B13R1.89 COc1ccccc1N(C)C(=O)C 22a_100000219746_100000070787 [0,1,1,0,0,0|1,0,1]=4 1536 B13R1.464 CN(CC=O)c1ccccc1C#N 2230a_100000744078_200015260668 [0,1,1,0,0,0|1,0,1]=4 1537 B13R1.464 CN(CC=O)c1ccccc1C#N 269982a_100000744078_200015260668 [0,1,1,0,0,0|1,0,1]=4 1538 B13R1.464 COc1ccccc1N(C)CC=O 2230a_100000219746_200015260668 [0,1,1,0,0,0|1,0,1]=4 1539 B13R1.464 COc1ccccc1N(C)CC=O 269982a_100000219746_200015260668 [0,1,1,0,0,0|1,0,1]=4 1540 B13R1.464 COc1ccccc1N(C)CC=O 34a_100000219746_200009817547 [0,1,1,0,0,0|1,0,1]=4 1541 B13R1.73 CNc1cc(ccc1SCC=O)F 62a_100020633008_200015260668 [0,1,1,0,0,0|1,0,1]=4 1542 B13R1.73 CNc1cc(ccc1SCC=O)F 62a_200015260668_100020633008 [0,1,1,0,0,0|1,0,1]=4 1543 B13R1.84 C/C=C/COc1ccccc1NC 34a_100000033821_100102629194 [0,1,1,0,0,0|1,0,1]=4 1544 B13R1.84 C/C=C/CSc1ccccc1NC 62a_100020606079_100102629194 [0,1,1,0,0,0|1,0,1]=4 1545 B13R1.84 C/C=C/CSc1ccccc1NC 62a_100102629194_100020606079 [0,1,1,0,0,0|1,0,1]=4 1546 B13R1.84 CC=CCOc1ccccc1NC 34a_100000033821_100000070051 [0,1,1,0,0,0|1,0,1]=4 1547 B13R1.84 CC=CCSc1ccccc1NC 62a_100000070051_100020606079 [0,1,1,0,0,0|1,0,1]=4 1548 B13R1.84 CC=CCSc1ccccc1NC 62a_100020606079_100000070051 [0,1,1,0,0,0|1,0,1]=4 1549 B13R1.84 CCCC=Cc1ccccc1NC 271570a_100016258520_100020606079 [0,1,1,0,0,0|1,0,1]=4 1550 B13R1.84 CCOC=Cc1ccccc1NC 271570a_100016256518_100020606079 [0,1,1,0,0,0|1,0,1]=4 1551 B13R1.84 CNc1ccccc1C=CCOC 271570a_100016286323_100020606079 [0,1,1,0,0,0|0,0,2]=4 1552 B13R1.90 CC(=O)C=Cc1ccccc1C#N 1458a_100016294624_200000210301 [0,1,1,0,0,0|2,0,0]=4 1553 B13R1.90 CNc1ccccc1C=CC(C)C 271570a_100016257149_100020606079 [0,1,1,0,0,0|1,0,1]=4 1554 B13R1.90 CNc1ccccc1C=CC(C)O 271570a_200011019289_100020606079 [0,1,1,0,0,0|0,0,2]=4 1555 B13R1.90 CNc1ccccc1OCC(=O)N 34a_100000033821_100000187820 [0,1,1,0,0,0|1,0,1]=4 1556 B13R1.90 CNc1ccccc1OCC(=O)[O-] 34a_100000033821_100020667443 [0,1,1,0,0,0|1,0,1]=4 1557 B13R1.90 CNc1ccccc1SCC(=O)N 62a_100000747473_100020606079 [0,1,1,0,0,0|1,0,1]=4 1558 B13R1.90 CNc1ccccc1SCC(=O)N 62a_100020606079_100000747473 [0,1,1,0,0,0|1,0,1]=4 1559 B13R1.90 CNc1ccccc1SCC(=O)N 7a_100000187061_200000210301 [0,1,1,0,0,0|1,0,1]=4 1560 B13R1.90 CNc1ccccc1SCC(=O)[O-] 62a_100020606079_100020667443 [0,1,1,0,0,0|1,0,1]=4 1561 B13R1.90 CNc1ccccc1SCC(=O)[O-] 62a_100020667443_100020606079 [0,1,1,0,0,0|1,0,1]=4 1562 B13R1.90 COc1ccccc1C=CC(=O)C 1458a_100000182468_200000210301 [0,1,1,0,0,0|1,0,0]=3 1563 B13R1.90 COc1ccccc1C=CC(=O)[13CH3] 1458a_100000182468_200025704644 [0,1,1,0,0,0|1,0,0]=3 1564 B13R1.90 COc1ncccc1C=CC(=O)C 1458a_100102601226_200000210301 [0,1,1,0,0,0|2,0,0]=4 1565 B13R1.90 COc1ncccc1C=CC(=O)[13CH3] 1458a_100102601226_200025704644 [0,1,1,0,0,0|2,0,0]=4 1566 B13R1.90 [13CH3]C(=O)C=Cc1ccccc1C#N 1458a_100016294624_200025704644 [0,1,1,0,0,0|2,0,0]=4 1567 B13R1.90 [13CH3]Nc1ccccc1SCC(=O)N 7a_100000187061_200025704644 [0,1,1,0,0,0|1,0,1]=4 1568 B13R1.485 CCNc1ccccc1OCC=O 34a_103624766699_200009817547 [0,1,1,0,0,0|1,0,1]=4 1569 B13R1.485 CCNc1ccccc1OCC=O 7a_103624766699_200015260668 [0,1,1,0,0,0|1,0,1]=4 1570 B13R1.485 CCNc1ccccc1SCC=O 62a_114873767003_200015260668 [0,1,1,0,0,0|1,0,1]=4 1571 B13R1.485 CCNc1ccccc1SCC=O 62a_200015260668_114873767003 [0,1,1,0,0,0|1,0,1]=4 1572 B13R1.485 CCSc1ccccc1/C=C/C=O 62a_100000210202_200016268969 [0,1,1,0,0,0|1,0,0]=3 1573 B13R1.485 CCSc1ccccc1/C=C/C=O 62a_200016268969_100000210202 [0,1,1,0,0,0|1,0,0]=3 1574 B13R1.485 CNCc1ccccc1OCC=O 34a_100015189988_200009817547 [0,1,1,0,0,0|1,0,1]=4 1575 B13R1.485 CNCc1ccccc1SCC=O 62a_100000184654_200015260668 [0,1,1,0,0,0|1,0,1]=4 1576 B13R1.485 CNCc1ccccc1SCC=O 62a_200015260668_100000184654 [0,1,1,0,0,0|1,0,1]=4 1577 B13R1.485 O=C/C=C/c1ccccc1SCF 62a_100015361967_200016268969 [0,1,1,0,0,0|1,0,0]=3 1578 B13R1.485 O=C/C=C/c1ccccc1SCF 62a_200016268969_100015361967 [0,1,1,0,0,0|1,0,0]=3 1579 B13R1.556 CNc1ccc(cc1SCC=O)C 62a_100000221369_200015260668 [0,1,1,0,0,0|1,0,1]=4 1580 B13R1.556 CNc1ccc(cc1SCC=O)C 62a_200015260668_100000221369 [0,1,1,0,0,0|1,0,1]=4 1581 B13R1.556 CNc1ccc(cc1SCC=O)F 62a_100011246292_200015260668 [0,1,1,0,0,0|1,0,1]=4 1582 B13R1.556 CNc1ccc(cc1SCC=O)F 62a_200015260668_100011246292 [0,1,1,0,0,0|1,0,1]=4 1583 B13R1.572 CN(C)c1ccccc1SCC=O 62a_100011290883_200015260668 [0,1,1,0,0,0|1,0,1]=4 1584 B13R1.572 CN(C)c1ccccc1SCC=O 62a_200015260668_100011290883 [0,1,1,0,0,0|1,0,1]=4 1585 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)Br 1626a_200000221195_100015343762 [0,1,1,0,0,0|1,0,1]=4 1586 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)C 11a_100000221369_100015343762 [0,1,1,0,0,0|1,0,1]=4 1587 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)C 1626a_100000221369_100015343762 [0,1,1,0,0,0|1,0,1]=4 1588 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)Cl 11a_100020633009_100015343762 [0,1,1,0,0,0|1,0,1]=4 1589 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)Cl 1626a_100020633009_100015343762 [0,1,1,0,0,0|1,0,1]=4 1590 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)F 11a_100011246292_100015343762 [0,1,1,0,0,0|1,0,1]=4 1591 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)F 1626a_100011246292_100015343762 [0,1,1,0,0,0|1,0,1]=4 1592 B13R1.163 CC(=O)N(C)c1ccc(cc1C)Br 11a_100000221803_100015343762 [0,1,1,0,0,0|0,0,2]=4 1593 B13R1.163 CC(=O)N(C)c1ccc(cc1C)Br 1626a_100000221803_100015343762 [0,1,1,0,0,0|0,0,2]=4 1594 B13R1.163 CC(=O)N(C)c1ccc(cc1C)Cl 11a_114849113698_100015343762 [0,1,1,0,0,0|0,0,2]=4 1595 B13R1.163 CC(=O)N(C)c1ccc(cc1C)Cl 1626a_114849113698_100015343762 [0,1,1,0,0,0|0,0,2]=4 1596 B13R1.163 CC(=O)N(C)c1ccc(cc1C)O 22a_100161107805_100000070787 [0,1,1,0,0,0|0,0,2]=4 1597 B13R1.163 CC(=O)N(C)c1ccc(cc1C)O 527a_100161107805_100103153847 [0,1,1,0,0,0|0,0,2]=4 1598 B13R1.163 CC(=O)N(C)c1ccc(cc1Cl)Br 11a_100000221650_100015343762 [0,1,1,0,0,0|1,0,1]=4 1599 B13R1.163 CC(=O)N(C)c1ccc(cc1Cl)Br 1626a_100000221650_100015343762 [0,1,1,0,0,0|1,0,1]=4 1600 B13R1.163 CC(=O)N(C)c1ccc(cc1Cl)Cl 11a_114849113696_100015343762 [0,1,1,0,0,0|1,0,1]=4 1601 B13R1.163 CC(=O)N(C)c1ccc(cc1Cl)Cl 1626a_114849113696_100015343762 [0,1,1,0,0,0|1,0,1]=4 1602 B13R1.163 CC(=O)N(C)c1ccc(cc1F)Br 11a_100000743884_100015343762 [0,1,1,0,0,0|1,0,1]=4 1603 B13R1.163 CC(=O)N(C)c1ccc(cc1F)Br 1626a_100000743884_100015343762 [0,1,1,0,0,0|1,0,1]=4 1604 B13R1.163 CC(=O)N(C)c1ccc(cc1F)F 11a_100020633734_100015343762 [0,1,1,0,0,0|1,0,1]=4 1605 B13R1.163 CC(=O)N(C)c1ccc(cc1F)F 1626a_100020633734_100015343762 [0,1,1,0,0,0|1,0,1]=4 1606 B13R1.163 CC(=O)N(C)c1ccc(cc1F)I 11a_114948340911_100015343762 [0,1,1,0,0,0|1,0,1]=4 1607 B13R1.163 CC(=O)N(C)c1ccc(cc1F)I 1626a_114948340911_100015343762 [0,1,1,0,0,0|1,0,1]=4 1608 B13R1.720 CCN(C(=O)C)c1ccccc1Br 11a_114873767003_100015343762 [0,1,1,0,0,0|1,0,1]=4 1609 B13R1.720 CCN(C(=O)C)c1ccccc1Br 1626a_114873767003_100015343762 [0,1,1,0,0,0|1,0,1]=4 1610 B13R1.720 CCN(C(=O)C)c1ccccc1C 11a_100000211084_100015343762 [0,1,1,0,0,0|0,0,2]=4 1611 B13R1.720 CCN(C(=O)C)c1ccccc1C 1626a_100000211084_100015343762 [0,1,1,0,0,0|0,0,2]=4 1612 B13R1.720 CCN(C(=O)C)c1ccccc1C 22a_100000211084_100000070787 [0,1,1,0,0,0|0,0,2]=4 1613 B13R1.720 CCN(C(=O)C)c1ccccc1F 11a_100000220365_100015343762 [0,1,1,0,0,0|1,0,1]=4 1614 B13R1.720 CCN(C(=O)C)c1ccccc1F 1626a_100000220365_100015343762 [0,1,1,0,0,0|1,0,1]=4 1615 B13R1.720 CCN(C(=O)C)c1ccccc1O 22a_103624766699_100000070787 [0,1,1,0,0,0|1,0,1]=4 1616 B13R1.897 CC(=O)N(C)c1cc(ccc1Br)Cl 11a_100020633006_100015343762 [0,1,1,0,0,0|1,0,1]=4 1617 B13R1.897 CC(=O)N(C)c1cc(ccc1Br)Cl 1626a_100020633006_100015343762 [0,1,1,0,0,0|1,0,1]=4 1618 B13R1.897 CC(=O)N(C)c1cc(ccc1Br)F 11a_100020633008_100015343762 [0,1,1,0,0,0|1,0,1]=4 1619 B13R1.897 CC(=O)N(C)c1cc(ccc1Br)F 1626a_100020633008_100015343762 [0,1,1,0,0,0|1,0,1]=4 1620 B13R1.897 CC(=O)N(C)c1cc(ccc1C)Br 11a_100020629602_100015343762 [0,1,1,0,0,0|0,0,2]=4 1621 B13R1.897 CC(=O)N(C)c1cc(ccc1C)Br 1626a_100020629602_100015343762 [0,1,1,0,0,0|0,0,2]=4 1622 B13R1.897 CC(=O)N(C)c1cc(ccc1C)Br 527a_100020629602_100103153847 [0,1,1,0,0,0|0,0,2]=4 1623 B13R1.897 CC(=O)N(C)c1cc(ccc1C)Cl 11a_100000221440_100015343762 [0,1,1,0,0,0|0,0,2]=4 1624 B13R1.897 CC(=O)N(C)c1cc(ccc1C)Cl 1626a_100000221440_100015343762 [0,1,1,0,0,0|0,0,2]=4 1625 B13R1.897 CC(=O)N(C)c1cc(ccc1C)F 11a_114849113390_100015343762 [0,1,1,0,0,0|0,0,2]=4 1626 B13R1.897 CC(=O)N(C)c1cc(ccc1C)F 1626a_114849113390_100015343762 [0,1,1,0,0,0|0,0,2]=4 1627 B13R1.897 CC(=O)N(C)c1cc(ccc1Cl)Br 11a_100011772073_100015343762 [0,1,1,0,0,0|1,0,1]=4 1628 B13R1.897 CC(=O)N(C)c1cc(ccc1Cl)Br 1626a_100011772073_100015343762 [0,1,1,0,0,0|1,0,1]=4 1629 B13R1.897 CC(=O)N(C)c1cc(ccc1Cl)Cl 11a_100000742562_100015343762 [0,1,1,0,0,0|1,0,1]=4 1630 B13R1.897 CC(=O)N(C)c1cc(ccc1Cl)Cl 1626a_100000742562_100015343762 [0,1,1,0,0,0|1,0,1]=4 1631 B13R1.897 CC(=O)N(C)c1cc(ccc1F)Br 11a_100011314990_100015343762 [0,1,1,0,0,0|1,0,1]=4 1632 B13R1.897 CC(=O)N(C)c1cc(ccc1F)Br 1626a_100011314990_100015343762 [0,1,1,0,0,0|1,0,1]=4 1633 B13R1.3768 CC(=O)N(C)c1cccc(c1C)Cl 11a_100020606106_100015343762 [0,1,1,0,0,0|0,0,2]=4 1634 B13R1.3768 CC(=O)N(C)c1cccc(c1C)Cl 1626a_100020606106_100015343762 [0,1,1,0,0,0|0,0,2]=4 1635 B13R1.3768 CC(=O)N(C)c1cccc(c1C)Cl 22a_100020606106_100000070787 [0,1,1,0,0,0|0,0,2]=4 1636 B13R1.3768 CC(=O)N(C)c1cccc(c1Cl)Cl 11a_100000742713_100015343762 [0,1,1,0,0,0|1,0,1]=4 1637 B13R1.3768 CC(=O)N(C)c1cccc(c1Cl)Cl 1626a_100000742713_100015343762 [0,1,1,0,0,0|1,0,1]=4 1638 B13R1.3768 CC(=O)N(C)c1cccc(c1F)Cl 11a_100020633735_100015343762 [0,1,1,0,0,0|1,0,1]=4 1639 B13R1.3768 CC(=O)N(C)c1cccc(c1F)Cl 1626a_100020633735_100015343762 [0,1,1,0,0,0|1,0,1]=4 1640 B13R1.3789 CC(=O)N(C)c1c(cccc1C)C 11a_100011645471_100015343762 [0,1,1,0,0,0|0,0,2]=4 1641 B13R1.3789 CC(=O)N(C)c1c(cccc1C)C 1626a_100011645471_100015343762 [0,1,1,0,0,0|0,0,2]=4 1642 B13R1.3789 CC(=O)N(C)c1c(cccc1Cl)Cl 11a_100000691019_100015343762 [0,1,1,0,0,0|1,0,1]=4 1643 B13R1.3789 CC(=O)N(C)c1c(cccc1Cl)Cl 1626a_100000691019_100015343762 [0,1,1,0,0,0|1,0,1]=4 1644 B13R1.3789 CC(=O)N(C)c1c(cccc1F)F 11a_100000743377_100015343762 [0,1,1,0,0,0|1,0,1]=4 1645 B13R1.3789 CC(=O)N(C)c1c(cccc1F)F 1626a_100000743377_100015343762 [0,1,1,0,0,0|1,0,1]=4 1646 B13R1.136 C=CCSc1cc(c(=O)n(c1)C)C 62a_100000210623_100011830242 [0,1,1,0,0,0|1,0,1]=4 1647 B13R1.136 C=CCSc1cc(c(=O)n(c1)C)C 62a_100011830242_100000210623 [0,1,1,0,0,0|1,0,1]=4 1648 B13R1.136 C=CCSc1cc(c(=O)n(c1)C)F 62a_100000210623_100010749421 [0,1,1,0,0,0|1,0,1]=4 1649 B13R1.136 C=CCSc1cc(c(=O)n(c1)C)F 62a_100010749421_100000210623 [0,1,1,0,0,0|1,0,1]=4 1650 B13R1.136 C=CCSc1cc(c(=O)n(c1)C)N 62a_100000210623_106446545582 [0,1,1,0,0,0|1,0,1]=4 1651 B13R1.136 C=CCSc1cc(c(=O)n(c1)C)N 62a_106446545582_100000210623 [0,1,1,0,0,0|1,0,1]=4 1652 B13R1.511 C=C(C)CSc1ccc(=O)n(c1)C 62a_100000748629_100011245003 [0,1,1,0,0,0|1,0,1]=4 1653 B13R1.511 C=C(C)CSc1ccc(=O)n(c1)C 62a_100011245003_100000211660 [0,1,1,0,0,0|1,0,1]=4 1654 B13R1.511 C=C(F)CSc1ccc(=O)n(c1)C 62a_100000042424_100011245003 [0,1,1,0,0,0|1,0,1]=4 1655 B13R1.511 C=C(F)CSc1ccc(=O)n(c1)C 62a_100011245003_100000042424 [0,1,1,0,0,0|1,0,1]=4 1656 B13R1.511 CC(C)C=Cc1ccc(=O)n(c1)C 271570a_100016257149_100011245003 [0,1,1,0,0,0|0,0,2]=4 1657 B13R1.511 CC(O)C=Cc1ccc(=O)n(c1)C 271570a_200011019289_100011245003 [0,1,1,0,0,0|0,0,2]=4 1658 B13R1.575 C=CCSc1ccc(=O)n(c1)CC 62a_100000210623_100000231005 [0,1,1,0,0,0|1,0,1]=4 1659 B13R1.575 C=CCSc1ccc(=O)n(c1)CC 62a_100000231005_100000210623 [0,1,1,0,0,0|1,0,1]=4 1660 B13R1.669 C/C=C/CSc1ccc(=O)n(c1)C 62a_100011245003_100102629194 [0,1,1,0,0,0|0,0,2]=4 1661 B13R1.669 C/C=C/CSc1ccc(=O)n(c1)C 62a_100102629194_100011245003 [0,1,1,0,0,0|0,0,2]=4 1662 B13R1.669 C=CCCSc1ccc(=O)n(c1)C 62a_100000754431_100011245003 [0,1,1,0,0,0|0,0,2]=4 1663 B13R1.669 C=CCCSc1ccc(=O)n(c1)C 62a_100011245003_100000754431 [0,1,1,0,0,0|0,0,2]=4 1664 B13R1.669 C=CCNCc1ccc(=O)n(c1)C 270004a_100020586998_100010620449 [0,1,1,0,0,0|0,0,2]=4 1665 B13R1.669 CC=CCSc1ccc(=O)n(c1)C 62a_100000070051_100011245003 [0,1,1,0,0,0|0,0,2]=4 1666 B13R1.669 CC=CCSc1ccc(=O)n(c1)C 62a_100011245003_100000070051 [0,1,1,0,0,0|0,0,2]=4 1667 B13R1.669 CCCC=Cc1ccc(=O)n(c1)C 271570a_100016258520_100011245003 [0,1,1,0,0,0|0,0,2]=4 1668 B13R1.669 CCOC=Cc1ccc(=O)n(c1)C 271570a_100016256518_100011245003 [0,1,1,0,0,0|0,0,2]=4 1669 B13R1.669 COCC=Cc1ccc(=O)n(c1)C 271570a_100016286323_100011245003 [0,1,1,0,0,0|0,0,2]=4 1670 B13R1.2879 C=CC(C)Sc1ccc(=O)n(c1)C 62a_100011215867_100011245003 [0,1,1,0,0,0|1,0,1]=4 1671 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [1,1,0,0,0,0|2,0,0]=4 1672 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [1,1,0,0,0,0|1,0,1]=4 1673 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [1,1,0,0,0,0|2,0,0]=4 1674 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [1,1,0,0,0,0|2,0,0]=4 1675 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [1,1,0,0,0,0|1,0,1]=4 1676 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [1,1,0,0,0,0|1,0,1]=4 1677 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [1,1,0,0,0,0|1,0,1]=4 1678 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [1,1,0,0,0,0|1,1,0]=4 1679 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [1,1,0,0,0,0|0,1,1]=4 1680 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [1,1,0,0,0,0|0,1,1]=4 1681 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [1,1,0,0,0,0|2,0,0]=4 1682 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [1,1,0,0,0,0|2,0,0]=4 1683 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [1,1,0,0,0,0|1,0,1]=4 1684 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [1,1,0,0,0,0|1,0,1]=4 1685 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [1,1,0,0,0,0|1,1,0]=4 1686 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [1,1,0,0,0,0|0,1,1]=4 1687 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [1,1,0,0,0,0|0,1,1]=4 1688 B13R2.155 Cc1ccc2ccc(cc2n1)O 271570a_203496583355_100009817087 [1,1,0,0,0,0|1,0,1]=4 1689 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [1,1,0,0,0,0|1,0,1]=4 1690 B13R2.155 Nc1ccc2ccc(cc2n1)O 271570a_203496583355_100010187616 [1,1,0,0,0,0|1,0,1]=4 1691 B13R2.155 O=C1CCc2ccc(cc2N1)O 271570a_203496583355_100000763451 [1,1,0,0,0,0|0,0,2]=4 1692 B13R2.155 O=C1COc2ccc(cc2N1)O 271570a_203496583355_100000244627 [1,1,0,0,0,0|1,0,1]=4 1693 B13R2.155 O=C1CSc2ccc(cc2N1)O 271570a_203496583355_100012361575 [1,1,0,0,0,0|1,0,1]=4 1694 B13R2.155 O=C1NCc2ccc(cc2N1)O 271570a_203496583355_100010161048 [1,1,0,0,0,0|1,0,1]=4 1695 B13R2.155 O=C1Nc2cc(ccc2CO1)O 271570a_203496583355_100000726308 [1,1,0,0,0,0|1,0,1]=4 1696 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [1,1,0,0,0,0|1,0,0]=3 1697 B13R2.155 O=c1ccc2cnc(cc2[nH]1)O 271570a_203496583355_100010563892 [1,1,0,0,0,0|1,0,0]=3 1698 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [1,1,0,0,0,0|1,0,1]=4 1699 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [1,1,0,0,0,0|0,0,2]=4 1700 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [1,1,0,0,0,0|0,0,2]=4 1701 B13R2.162 Cc1ccc2cccc(c2n1)O 271570a_203496583355_100011934484 [1,1,0,0,0,0|1,0,1]=4 1702 B13R2.162 Cc1cccc2c1cc(cc2)O 271570a_203496583355_100010089936 [1,1,0,0,0,0|1,0,1]=4 1703 B13R2.162 Cc1cccc2c1nc(cc2)O 271570a_203496583355_100012002297 [1,1,0,0,0,0|0,0,2]=4 1704 B13R2.162 Nc1ccc2cccc(c2n1)O 271570a_203496583355_100000687151 [1,1,0,0,0,0|1,0,1]=4 1705 B13R2.162 Nc1cccc2c1cc(cc2)O 271570a_203496583355_100010090012 [1,1,0,0,0,0|1,0,1]=4 1706 B13R2.162 O=c1ccc2cccc(c2[nH]1)O 271570a_203496583355_100000688906 [1,1,0,0,0,0|0,0,0]=2 1707 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010089991 [1,1,0,0,0,0|1,0,1]=4 1708 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010169565 [1,1,0,0,0,0|1,0,1]=4 1709 B13R2.162 Oc1ccc2cccc(c2n1)F 271570a_203496583355_100012017632 [1,1,0,0,0,0|0,0,2]=4 1710 B13R2.162 Oc1ccc2cccc(c2n1)O 271570a_203496583355_100010153751 [1,1,0,0,0,0|0,0,2]=4 1711 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [1,1,0,0,0,0|1,0,1]=4 1712 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [1,1,0,0,0,0|0,0,2]=4 1713 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [1,1,0,0,0,0|2,0,0]=4 1714 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [1,1,0,0,0,0|1,0,1]=4 1715 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [1,1,0,0,0,0|0,0,2]=4 1716 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [1,1,0,0,0,0|0,0,1]=3 1717 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [1,1,0,0,0,0|0,0,0]=2 1718 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [1,1,0,0,0,0|1,0,0]=3 1719 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [1,1,0,0,0,0|1,0,1]=4 1720 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [1,1,0,0,0,0|1,0,1]=4 1721 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [1,1,0,0,0,0|0,0,2]=4 1722 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [1,1,0,0,0,0|1,0,1]=4 1723 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [1,1,0,0,0,0|1,0,1]=4 1724 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [1,1,0,0,0,0|1,0,0]=3 1725 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [1,1,0,0,0,0|1,0,1]=4 1726 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [1,1,0,0,0,0|1,0,1]=4 1727 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [1,1,0,0,0,0|1,0,1]=4 1728 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [1,1,0,0,0,0|1,0,1]=4 1729 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [1,1,0,0,0,0|1,0,1]=4 1730 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [1,1,0,0,0,0|0,0,2]=4 1731 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [1,1,0,0,0,0|0,0,2]=4 1732 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [1,1,0,0,0,0|0,0,2]=4 1733 B13R2.3683 Cc1ccc2cc(ccc2n1)O 271570a_203496583355_100000686635 [1,1,0,0,0,0|1,0,1]=4 1734 B13R2.3683 Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100011865911 [1,1,0,0,0,0|0,0,2]=4 1735 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [1,1,0,0,0,0|1,0,1]=4 1736 B13R2.3683 Nc1ccc2cc(ccc2n1)O 271570a_203496583355_100011934619 [1,1,0,0,0,0|1,0,1]=4 1737 B13R2.3683 O=C1CCc2cc(ccc2N1)O 271570a_203496583355_100000754843 [1,1,0,0,0,0|0,0,2]=4 1738 B13R2.3683 O=C1CNc2cc(ccc2N1)O 271570a_203496583355_100000693460 [1,1,0,0,0,0|1,0,1]=4 1739 B13R2.3683 O=C1COc2cc(ccc2N1)O 271570a_203496583355_100000745508 [1,1,0,0,0,0|1,0,1]=4 1740 B13R2.3683 O=C1CSc2cc(ccc2N1)O 271570a_203496583355_100011830382 [1,1,0,0,0,0|1,0,1]=4 1741 B13R2.3683 O=C1NCc2cc(ccc2N1)O 271570a_203496583355_100010171468 [1,1,0,0,0,0|1,0,1]=4 1742 B13R2.3683 O=C1Nc2ccc(cc2CO1)O 271570a_203496583355_100010219366 [1,1,0,0,0,0|1,0,1]=4 1743 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [1,1,0,0,0,0|0,0,0]=2 1744 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [1,1,0,0,0,0|1,0,0]=3 1745 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [1,1,0,0,0,0|1,0,0]=3 1746 B13R2.3683 O=c1cnc2cc(cnc2[nH]1)O 271570a_203496583355_200010159638 [1,1,0,0,0,0|2,0,0]=4 1747 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [1,1,0,0,0,0|1,0,1]=4 1748 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [1,1,0,0,0,0|1,0,1]=4 1749 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [1,1,0,0,0,0|1,0,1]=4 1750 B13R2.3683 Oc1ccc2cc(ccc2n1)F 271570a_203496583355_100011998705 [1,1,0,0,0,0|0,0,2]=4 1751 B13R2.3683 Oc1ccc2nc(ccc2c1)Cl 271570a_203496583355_200012034268 [1,1,0,0,0,0|1,0,1]=4 1752 B13R2.3683 Oc1ccc2nc(ccc2c1)O 271570a_203496583355_100009849208 [1,1,0,0,0,0|0,0,2]=4 1753 B13R2.5179 Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010173736 [1,1,0,0,0,0|1,0,1]=4 1754 B13R2.5179 Nc1ccc2c(cccc2n1)O 271570a_203496583355_100000723655 [1,1,0,0,0,0|1,0,1]=4 1755 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [1,1,0,0,0,0|1,0,1]=4 1756 B13R2.5179 O=C1CCc2c(cccc2N1)O 271570a_203496583355_100010232564 [1,1,0,0,0,0|0,0,2]=4 1757 B13R2.5179 O=C1COc2c(cccc2N1)O 271570a_203496583355_100012355675 [1,1,0,0,0,0|1,0,1]=4 1758 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [1,1,0,0,0,0|0,0,0]=2 1759 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [1,1,0,0,0,0|1,0,1]=4 1760 B13R2.342 Cc1cccc2c1ccnc2O 271570a_203496583355_100012002547 [1,1,0,0,0,0|2,0,0]=4 1761 B13R2.342 Cc1cccc2c1nccc2O 271570a_203496583355_100000751276 [1,1,0,0,0,0|2,0,0]=4 1762 B13R2.342 Cc1ccnc2c1cccc2O 271570a_203496583355_100010254272 [1,1,0,0,0,0|2,0,0]=4 1763 B13R2.342 Cc1nccc2c1cccc2O 271570a_203496583355_100010137443 [1,1,0,0,0,0|2,0,0]=4 1764 B13R2.342 Nc1cccc2c1cccc2O 271570a_203496583355_100009816864 [1,1,0,0,0,0|2,0,0]=4 1765 B13R2.342 Oc1cccc2c1cccc2F 271570a_203496583355_100009817034 [1,1,0,0,0,0|2,0,0]=4 1766 B13R2.342 Oc1cccc2c1cccc2O 271570a_203496583355_100010003857 [1,1,0,0,0,0|2,0,0]=4 1767 B13R2.371 Cc1ccc(c2c1cccc2)O 271570a_203496583355_100011215156 [1,1,0,0,0,0|1,0,0]=3 1768 B13R2.371 Cc1ccc(c2c1nccc2)O 271570a_203496583355_100000694312 [1,1,0,0,0,0|2,0,0]=4 1769 B13R2.371 Cc1cnc(c2c1cccc2)O 271570a_203496583355_100000112005 [1,1,0,0,0,0|2,0,0]=4 1770 B13R2.371 Cc1ncc(c2c1cccc2)O 271570a_203496583355_100010239772 [1,1,0,0,0,0|2,0,0]=4 1771 B13R2.371 Nc1ccc(c2c1cccc2)O 271570a_203496583355_100000766797 [1,1,0,0,0,0|2,0,0]=4 1772 B13R2.371 Oc1ccc(c2c1cccc2)Br 271570a_203496583355_100012339872 [1,1,0,0,0,0|2,0,0]=4 1773 B13R2.371 Oc1ccc(c2c1cccc2)F 271570a_203496583355_100011218216 [1,1,0,0,0,0|2,0,0]=4 1774 B13R2.371 Oc1ccc(c2c1cccc2)O 271570a_203496583355_100000186334 [1,1,0,0,0,0|2,0,0]=4 1775 B13R2.371 [O-][n+]1ccc(c2c1cccc2)O 271570a_203496583355_100020656173 [1,1,0,0,0,0|1,0,1]=4 1776 B13R2.1613 C=Cc1cccc2c1cccc2 271570a_100011290941_100000210605 [1,1,0,0,0,0|1,0,1]=4 1777 B13R2.1613 CNc1cccc2c1cccc2 34a_100000185869_200000210301 [1,1,0,0,0,0|1,0,0]=3 1778 B13R2.1613 CNc1cccc2c1cccn2 27a_100102657272_100011290932 [1,1,0,0,0,0|2,0,0]=4 1779 B13R2.1613 CNc1cccc2c1cccn2 34a_100000183906_200000210301 [1,1,0,0,0,0|2,0,0]=4 1780 B13R2.1613 CNc1cccc2c1nccc2 34a_100000181377_200000210301 [1,1,0,0,0,0|2,0,0]=4 1781 B13R2.1613 CNc1ccnc2c1cccc2 27a_100102657272_100011215880 [1,1,0,0,0,0|2,0,0]=4 1782 B13R2.1613 CNc1nccc2c1cccc2 27a_100102657272_100011934041 [1,1,0,0,0,0|2,0,0]=4 1783 B13R2.1613 COc1cccc2c1cccc2 34a_100000210388_200000210301 [1,1,0,0,0,0|1,0,0]=3 1784 B13R2.1613 COc1cccc2c1cccc2 7a_100000210388_200000210301 [1,1,0,0,0,0|1,0,0]=3 1785 B13R2.1613 COc1cccc2c1cccn2 34a_100011197808_200000210301 [1,1,0,0,0,0|2,0,0]=4 1786 B13R2.1613 COc1cccc2c1ccnc2 34a_100011218533_200000210301 [1,1,0,0,0,0|2,0,0]=4 1787 B13R2.1613 COc1cccc2c1cncc2 34a_103624766955_200000210301 [1,1,0,0,0,0|2,0,0]=4 1788 B13R2.1613 COc1cccc2c1nccc2 34a_100000056035_200000210301 [1,1,0,0,0,0|2,0,0]=4 1789 B13R2.1613 COc1cncc2c1cccc2 34a_100000066178_200000210301 [1,1,0,0,0,0|2,0,0]=4 1790 B13R2.1613 COc1cncc2c1cccc2 7a_100000066178_200000210301 [1,1,0,0,0,0|2,0,0]=4 1791 B13R2.1613 COc1nccc2c1cccc2 34a_102531767632_200000210301 [1,1,0,0,0,0|2,0,0]=4 1792 B13R2.1613 CSc1cccc2c1cccc2 62a_200000210301_100000210605 [1,1,0,0,0,0|1,0,0]=3 1793 B13R2.1613 CSc1cccc2c1cccn2 62a_100011290932_200000210301 [1,1,0,0,0,0|2,0,0]=4 1794 B13R2.1613 CSc1cccc2c1cccn2 62a_200000210301_100011290932 [1,1,0,0,0,0|2,0,0]=4 1795 B13R2.1613 CSc1cccc2c1ccnc2 62a_100000186358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1796 B13R2.1613 CSc1cccc2c1ccnc2 62a_200000210301_100000186358 [1,1,0,0,0,0|2,0,0]=4 1797 B13R2.1613 CSc1cccc2c1cncc2 62a_100000685578_200000210301 [1,1,0,0,0,0|2,0,0]=4 1798 B13R2.1613 CSc1cccc2c1cncc2 62a_200000210301_100000685578 [1,1,0,0,0,0|2,0,0]=4 1799 B13R2.1613 CSc1cccc2c1nccc2 62a_200000210301_100011215545 [1,1,0,0,0,0|2,0,0]=4 1800 B13R2.1613 CSc1ccnc2c1cccc2 62a_100011458314_200000210301 [1,1,0,0,0,0|2,0,0]=4 1801 B13R2.1613 CSc1ccnc2c1cccc2 62a_200000210301_100011215880 [1,1,0,0,0,0|2,0,0]=4 1802 B13R2.1613 CSc1cncc2c1cccc2 62a_100000187577_200000210301 [1,1,0,0,0,0|2,0,0]=4 1803 B13R2.1613 CSc1cncc2c1cccc2 62a_200000210301_100000187577 [1,1,0,0,0,0|2,0,0]=4 1804 B13R2.1613 CSc1nccc2c1cccc2 62a_100011934041_200000210301 [1,1,0,0,0,0|2,0,0]=4 1805 B13R2.1613 CSc1nccc2c1cccc2 62a_200000210301_100011934041 [1,1,0,0,0,0|2,0,0]=4 1806 B13R2.1613 [13CH3]Nc1cccc2c1cccc2 34a_100000185869_200025704644 [1,1,0,0,0,0|1,0,0]=3 1807 B13R2.1613 [13CH3]Nc1cccc2c1cccn2 34a_100000183906_200025704644 [1,1,0,0,0,0|2,0,0]=4 1808 B13R2.1613 [13CH3]Nc1cccc2c1nccc2 34a_100000181377_200025704644 [1,1,0,0,0,0|2,0,0]=4 1809 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 34a_100000210388_200025704644 [1,1,0,0,0,0|1,0,0]=3 1810 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 7a_100000210388_200025704644 [1,1,0,0,0,0|1,0,0]=3 1811 B13R2.1613 [13CH3]Oc1cccc2c1cccn2 34a_100011197808_200025704644 [1,1,0,0,0,0|2,0,0]=4 1812 B13R2.1613 [13CH3]Oc1cccc2c1ccnc2 34a_100011218533_200025704644 [1,1,0,0,0,0|2,0,0]=4 1813 B13R2.1613 [13CH3]Oc1cccc2c1cncc2 34a_103624766955_200025704644 [1,1,0,0,0,0|2,0,0]=4 1814 B13R2.1613 [13CH3]Oc1cccc2c1nccc2 34a_100000056035_200025704644 [1,1,0,0,0,0|2,0,0]=4 1815 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 34a_100000066178_200025704644 [1,1,0,0,0,0|2,0,0]=4 1816 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 7a_100000066178_200025704644 [1,1,0,0,0,0|2,0,0]=4 1817 B13R2.1613 [13CH3]Oc1nccc2c1cccc2 34a_102531767632_200025704644 [1,1,0,0,0,0|2,0,0]=4 1818 B13R2.1613 [13CH3]Sc1cccc2c1cccc2 62a_200025704644_100000210605 [1,1,0,0,0,0|1,0,0]=3 1819 B13R2.1613 [13CH3]Sc1cccc2c1cccn2 62a_100011290932_200025704644 [1,1,0,0,0,0|2,0,0]=4 1820 B13R2.1613 [13CH3]Sc1cccc2c1cccn2 62a_200025704644_100011290932 [1,1,0,0,0,0|2,0,0]=4 1821 B13R2.1613 [13CH3]Sc1cccc2c1ccnc2 62a_100000186358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1822 B13R2.1613 [13CH3]Sc1cccc2c1ccnc2 62a_200025704644_100000186358 [1,1,0,0,0,0|2,0,0]=4 1823 B13R2.1613 [13CH3]Sc1cccc2c1cncc2 62a_100000685578_200025704644 [1,1,0,0,0,0|2,0,0]=4 1824 B13R2.1613 [13CH3]Sc1cccc2c1cncc2 62a_200025704644_100000685578 [1,1,0,0,0,0|2,0,0]=4 1825 B13R2.1613 [13CH3]Sc1cccc2c1nccc2 62a_200025704644_100011215545 [1,1,0,0,0,0|2,0,0]=4 1826 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_100011458314_200025704644 [1,1,0,0,0,0|2,0,0]=4 1827 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_200025704644_100011215880 [1,1,0,0,0,0|2,0,0]=4 1828 B13R2.1613 [13CH3]Sc1cncc2c1cccc2 62a_100000187577_200025704644 [1,1,0,0,0,0|2,0,0]=4 1829 B13R2.1613 [13CH3]Sc1cncc2c1cccc2 62a_200025704644_100000187577 [1,1,0,0,0,0|2,0,0]=4 1830 B13R2.1613 [13CH3]Sc1nccc2c1cccc2 62a_100011934041_200025704644 [1,1,0,0,0,0|2,0,0]=4 1831 B13R2.1613 [13CH3]Sc1nccc2c1cccc2 62a_200025704644_100011934041 [1,1,0,0,0,0|2,0,0]=4 1832 B13R2.4818 Cc1cccc2c1c(ccc2)O 271570a_203496583355_100009995290 [1,1,0,0,0,0|1,0,0]=3 1833 B13R2.4818 Cc1cncc2c1c(ccc2)O 271570a_203496583355_100009817140 [1,1,0,0,0,0|2,0,0]=4 1834 B13R2.4818 Nc1cccc2c1c(ccc2)O 271570a_203496583355_100010002837 [1,1,0,0,0,0|2,0,0]=4 1835 B13R2.4818 Oc1cccc2c1c(ccc2)Br 271570a_203496583355_100010243825 [1,1,0,0,0,0|2,0,0]=4 1836 B13R2.4818 Oc1cccc2c1c(ccc2)F 271570a_203496583355_100010177852 [1,1,0,0,0,0|2,0,0]=4 1837 B13R2.4818 Oc1cccc2c1c(ccc2)O 271570a_203496583355_100010089961 [1,1,0,0,0,0|2,0,0]=4 1838 B13R2.45 C=Cc1nc2ccccc2n1C 271570a_100011290941_200000239431 [0,1,0,0,1,0|2,0,0]=4 1839 B13R2.45 CNc1nc2ccccc2n1C 27a_100102657272_200000239431 [0,1,0,0,1,0|2,0,0]=4 1840 B13R2.45 COc1cc2ccccc2n1C 34a_100000066695_200000210301 [0,1,0,0,1,0|0,0,1]=3 1841 B13R2.45 CSc1nc2ccccc2n1C 62a_200000210301_200000239431 [0,1,0,0,1,0|1,1,0]=4 1842 B13R2.45 CSc1nc2ccccc2n1C 62a_200000239431_200000210301 [0,1,0,0,1,0|1,1,0]=4 1843 B13R2.45 Cn1c(cc2c1cccc2)O[13CH3] 34a_100000066695_200025704644 [0,1,0,0,1,0|0,0,1]=3 1844 B13R2.45 Cn1c(nc2c1cccc2)S[13CH3] 62a_200000239431_200025704644 [0,1,0,0,1,0|1,1,0]=4 1845 B13R2.45 Cn1c(nc2c1cccc2)S[13CH3] 62a_200025704644_200000239431 [0,1,0,0,1,0|1,1,0]=4 1846 B13R2.135 CSC1C(=O)Nc2c1cccc2 62a_200000210301_200009996675 [0,1,0,0,1,0|2,0,0]=4 1847 B13R2.135 [13CH3]SC1C(=O)Nc2c1cccc2 62a_200025704644_200009996675 [0,1,0,0,1,0|2,0,0]=4 1848 B13R2.3028 CC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_100010251565 [0,1,0,0,1,0|2,0,0]=4 1849 B13R2.3028 CN1C(=O)Cc2c1cc(cc2)O 271570a_203496583355_100010285470 [0,1,0,0,1,0|0,0,1]=3 1850 B13R2.3028 Cc1nc2ccc(cc2n1C)O 271570a_203496583355_200010218347 [0,1,0,0,1,0|2,0,0]=4 1851 B13R2.3028 Cn1c(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100010393459 [0,1,0,0,1,0|1,0,0]=3 1852 B13R2.4856 CN1C(=O)Cc2c1c(ccc2)O 271570a_203496583355_100010870571 [0,1,0,0,1,0|0,0,1]=3 1853 B13R2.4856 Cn1c(=O)[nH]c2c1c(ccc2)O 271570a_203496583355_100010994120 [0,1,0,0,1,0|1,0,0]=3 1854 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,1,0,0,1,0|2,0,0]=4 1855 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [0,1,0,0,1,0|0,0,1]=3 1856 B13R2.5190 Cc1nc2cc(ccc2n1C)O 271570a_203496583355_100000729442 [0,1,0,0,1,0|2,0,0]=4 1857 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,1,0,0,1,0|1,0,0]=3 1858 B13R2.5190 Cn1c(nc2c1ccc(c2)O)O 271570a_203496583355_100013992850 [0,1,0,0,1,0|1,0,1]=4 1859 B15R2.63978 CN1C(=O)CCCc2c1ccc(c2)O 271570a_203496583355_100016171256 [0,1,0,0,0,1|0,0,2]=4 1860 B15R2.627 C=C(C)c1ccc2ccccc2c1C 271570a_100000694244_100010221197 [0,2,0,0,0,0|2,0,0]=4 1861 B15R2.627 CC(=O)c1ccc2ccccc2c1Br 1458a_100000239384_200000210301 [0,2,0,0,0,0|2,0,0]=4 1862 B15R2.627 CC(=O)c1ccc2ccccc2c1O 1458a_100000181341_200000210301 [0,2,0,0,0,0|2,0,0]=4 1863 B15R2.627 NC(=O)c1ccc2ccccc2c1O 271570a_203496583355_100011091912 [0,2,0,0,0,0|2,0,0]=4 1864 B15R2.627 [13CH3]C(=O)c1ccc2ccccc2c1Br 1458a_100000239384_200025704644 [0,2,0,0,0,0|2,0,0]=4 1865 B15R2.627 [13CH3]C(=O)c1ccc2ccccc2c1O 1458a_100000181341_200025704644 [0,2,0,0,0,0|2,0,0]=4 1866 B15R2.2115 C=Cc1c(ccc2c1cccc2)C=O 271570a_100011290941_100009813496 [0,2,0,0,0,0|1,0,1]=4 1867 B15R2.2115 C=Cc1ccc2ccccc2c1OC 271570a_100011290941_100010089960 [0,2,0,0,0,0|2,0,0]=4 1868 B15R2.2115 CNc1c(ccc2c1cccc2)OC 34a_100009884440_200000210301 [0,2,0,0,0,0|1,0,1]=4 1869 B15R2.2115 COc1c(ccc2c1cccc2)N=O 34a_100000212301_200000210301 [0,2,0,0,0,0|1,0,0]=3 1870 B15R2.2115 COc1c(ccc2c1cccc2)SC 62a_200000210301_100010089960 [0,2,0,0,0,0|1,1,0]=4 1871 B15R2.2115 COc1c(ccc2c1cccc2)S[13CH3] 62a_200025704644_100010089960 [0,2,0,0,0,0|1,1,0]=4 1872 B15R2.2115 COc1ccc2ccccc2c1N[13CH3] 34a_100009884440_200025704644 [0,2,0,0,0,0|1,0,1]=4 1873 B15R2.2115 COc1ccc2ccccc2c1SC 62a_200000210301_100000173347 [0,2,0,0,0,0|1,0,1]=4 1874 B15R2.2115 COc1ccc2ccccc2c1S[13CH3] 62a_200025704644_100000173347 [0,2,0,0,0,0|1,0,1]=4 1875 B15R2.2115 CSc1c(ccc2c1cccc2)C=O 62a_100009813496_200000210301 [0,2,0,0,0,0|1,0,0]=3 1876 B15R2.2115 CSc1c(ccc2c1cccc2)C=O 62a_200000210301_100009813496 [0,2,0,0,0,0|1,0,0]=3 1877 B15R2.2115 CSc1c(cnc2c1cccc2)C=O 62a_200000210301_100000037458 [0,2,0,0,0,0|2,0,0]=4 1878 B15R2.2115 [13CH3]Oc1c(ccc2c1cccc2)N=O 34a_100000212301_200025704644 [0,2,0,0,0,0|1,0,0]=3 1879 B15R2.2115 [13CH3]Sc1c(ccc2c1cccc2)C=O 62a_100009813496_200025704644 [0,2,0,0,0,0|1,0,0]=3 1880 B15R2.2115 [13CH3]Sc1c(ccc2c1cccc2)C=O 62a_200025704644_100009813496 [0,2,0,0,0,0|1,0,0]=3 1881 B15R2.2115 [13CH3]Sc1c(cnc2c1cccc2)C=O 62a_200025704644_100000037458 [0,2,0,0,0,0|2,0,0]=4 1882 B15R2.2220 C=C=Cc1ccc2ccccc2c1C 271570a_100015277604_100010221197 [0,2,0,0,0,0|2,0,0]=4 1883 B15R2.2220 CC=Cc1ccc2ccccc2c1C 271570a_100016259895_100010221197 [0,2,0,0,0,0|2,0,0]=4 1884 B15R2.2220 CCOc1ccc2ccccc2c1C 34a_100009830054_100000210202 [0,2,0,0,0,0|1,0,1]=4 1885 B15R2.2220 CCOc1ccc2ccccc2c1C 7a_100009830054_100000210202 [0,2,0,0,0,0|1,0,1]=4 1886 B15R2.2220 CCSc1ccc2ccccc2c1C 62a_100000210202_100010221197 [0,2,0,0,0,0|1,1,0]=4 1887 B15R2.2220 CCSc1ccc2ccccc2c1C 62a_100010221197_100000210202 [0,2,0,0,0,0|1,1,0]=4 1888 B15R2.2220 Cc1c(ccc2c1cccc2)OCF 34a_100009830054_100015361967 [0,2,0,0,0,0|1,0,1]=4 1889 B15R2.2220 Cc1c(ccc2c1cccc2)OCF 7a_100009830054_100015361967 [0,2,0,0,0,0|1,0,1]=4 1890 B15R2.2220 Cc1c(ccc2c1cccc2)SCF 62a_100010221197_100015361967 [0,2,0,0,0,0|1,1,0]=4 1891 B15R2.2220 Cc1c(ccc2c1cccc2)SCF 62a_100015361967_100010221197 [0,2,0,0,0,0|1,1,0]=4 1892 B15R2.19973 O=Cc1cc(c2ccccc2c1F)O 271570a_203496583355_100010235050 [0,2,0,0,0,0|2,0,0]=4 1893 B15R2.1162 C=C(C)c1c(ccc2c1cccc2)Br 271570a_100000694244_100010090040 [0,2,0,0,0,0|2,0,0]=4 1894 B15R2.1162 C=C(C)c1c(ccc2c1cccc2)C 271570a_100000694244_100000759710 [0,2,0,0,0,0|2,0,0]=4 1895 B15R2.1162 C=C(C)c1c(ccc2c1cccc2)N 271570a_100000694244_100000705303 [0,2,0,0,0,0|2,0,0]=4 1896 B15R2.1162 C=C(C)c1c(ccc2c1cccc2)O 271570a_100000694244_100000183829 [0,2,0,0,0,0|1,0,1]=4 1897 B15R2.1162 CC(=O)c1c(ccc2c1cccc2)C 1458a_100011933975_200000210301 [0,2,0,0,0,0|2,0,0]=4 1898 B15R2.1162 CC(=O)c1c(ccc2c1cccc2)O 1458a_100011219592_200000210301 [0,2,0,0,0,0|1,0,1]=4 1899 B15R2.1162 Cc1ccc2ccccc2c1C(=O)[13CH3] 1458a_100011933975_200025704644 [0,2,0,0,0,0|2,0,0]=4 1900 B15R2.1162 [13CH3]C(=O)c1c(ccc2c1cccc2)O 1458a_100011219592_200025704644 [0,2,0,0,0,0|1,0,1]=4 1901 B15R2.6124 CNc1c(cc(c2c1cccc2)Br)Br 34a_100012339475_200000210301 [0,2,0,0,0,0|2,0,0]=4 1902 B15R2.6124 CNc1c(cc(c2c1cccc2)Cl)Cl 34a_100010097187_200000210301 [0,2,0,0,0,0|2,0,0]=4 1903 B15R2.6124 COc1c(cc(c2c1cccc2)Cl)Cl 34a_100000042667_200000210301 [0,2,0,0,0,0|2,0,0]=4 1904 B15R2.6124 COc1c(cc(c2c1cccc2)Cl)Cl 7a_100000042667_200000210301 [0,2,0,0,0,0|2,0,0]=4 1905 B15R2.6124 [13CH3]Nc1c(cc(c2c1cccc2)Br)Br 34a_100012339475_200025704644 [0,2,0,0,0,0|2,0,0]=4 1906 B15R2.6124 [13CH3]Nc1c(cc(c2c1cccc2)Cl)Cl 34a_100010097187_200025704644 [0,2,0,0,0,0|2,0,0]=4 1907 B15R2.6124 [13CH3]Oc1c(cc(c2c1cccc2)Cl)Cl 34a_100000042667_200025704644 [0,2,0,0,0,0|2,0,0]=4 1908 B15R2.6124 [13CH3]Oc1c(cc(c2c1cccc2)Cl)Cl 7a_100000042667_200025704644 [0,2,0,0,0,0|2,0,0]=4 1909 B15R2.9941 CC=Cc1c(ccc2c1cccc2)Br 271570a_100016259895_100010090040 [0,2,0,0,0,0|2,0,0]=4 1910 B15R2.9941 CC=Cc1c(ccc2c1cccc2)C 271570a_100016259895_100000759710 [0,2,0,0,0,0|2,0,0]=4 1911 B15R2.9941 CC=Cc1c(ccc2c1cccc2)N 271570a_100016259895_100000705303 [0,2,0,0,0,0|2,0,0]=4 1912 B15R2.9941 CC=Cc1c(ccc2c1cccc2)O 271570a_100016259895_100000183829 [0,2,0,0,0,0|1,0,1]=4 1913 B15R2.9941 CCNc1c(ccc2c1cccc2)Br 34a_100009817101_100000210202 [0,2,0,0,0,0|2,0,0]=4 1914 B15R2.9941 CCNc1c(ccc2c1cccc2)C 34a_100000688109_100000210202 [0,2,0,0,0,0|2,0,0]=4 1915 B15R2.9941 CCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000210202 [0,2,0,0,0,0|2,0,0]=4 1916 B15R2.9941 CCNc1c(ccc2c1cccc2)O 34a_100000007056_100000210202 [0,2,0,0,0,0|1,0,1]=4 1917 B15R2.9941 CCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000210202 [0,2,0,0,0,0|2,0,0]=4 1918 B15R2.9941 CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000210202 [0,2,0,0,0,0|2,0,0]=4 1919 B15R2.9941 CCOc1c(ccc2c1cccc2)C 34a_100000039261_100000210202 [0,2,0,0,0,0|2,0,0]=4 1920 B15R2.9941 CCOc1c(ccc2c1cccc2)C 7a_100000039261_100000210202 [0,2,0,0,0,0|2,0,0]=4 1921 B15R2.9941 CCOc1c(ccc2c1cccc2)N 34a_100000007060_100000210202 [0,2,0,0,0,0|2,0,0]=4 1922 B15R2.9941 CCSc1c(ccc2c1cccc2)Br 62a_100000210202_100010090040 [0,2,0,0,0,0|2,0,0]=4 1923 B15R2.9941 CCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000210202 [0,2,0,0,0,0|2,0,0]=4 1924 B15R2.9941 CCSc1c(ccc2c1cccc2)C 62a_100000210202_100000759710 [0,2,0,0,0,0|2,0,0]=4 1925 B15R2.9941 CCSc1c(ccc2c1cccc2)C 62a_100000759710_100000210202 [0,2,0,0,0,0|2,0,0]=4 1926 B15R2.9941 CCSc1c(ccc2c1cccc2)N 62a_100000210202_100000705303 [0,2,0,0,0,0|2,0,0]=4 1927 B15R2.9941 CCSc1c(ccc2c1cccc2)N 62a_100000705303_100000210202 [0,2,0,0,0,0|2,0,0]=4 1928 B15R2.9941 CCSc1c(ccc2c1cccc2)O 62a_100000210202_100000183829 [0,2,0,0,0,0|1,0,1]=4 1929 B15R2.9941 CNCc1c(ccc2c1cccc2)Br 207a_100102657272_100010090029 [0,2,0,0,0,0|2,0,0]=4 1930 B15R2.9941 CNCc1c(ccc2c1cccc2)Br 26a_100102657272_100009996032 [0,2,0,0,0,0|2,0,0]=4 1931 B15R2.9941 CNCc1c(ccc2c1cccc2)Br 270004a_106832991635_100010090029 [0,2,0,0,0,0|2,0,0]=4 1932 B15R2.9941 CNCc1c(ccc2c1cccc2)C 207a_100102657272_100011361466 [0,2,0,0,0,0|2,0,0]=4 1933 B15R2.9941 CNCc1c(ccc2c1cccc2)C 2230a_106832991635_100000689653 [0,2,0,0,0,0|2,0,0]=4 1934 B15R2.9941 CNCc1c(ccc2c1cccc2)C 270004a_106832991635_100011361466 [0,2,0,0,0,0|2,0,0]=4 1935 B15R2.9941 CNCc1c(ccc2c1cccc2)C 34a_100102657272_100000689653 [0,2,0,0,0,0|2,0,0]=4 1936 B15R2.9941 CNCc1c(ccc2c1cccc2)C 7a_106832991635_100000689653 [0,2,0,0,0,0|2,0,0]=4 1937 B15R2.9941 COCc1c(ccc2c1cccc2)C 34a_100138415774_100000689653 [0,2,0,0,0,0|2,0,0]=4 1938 B15R2.9941 CSCc1c(ccc2c1cccc2)C 62a_100000689653_200000210301 [0,2,0,0,0,0|2,0,0]=4 1939 B15R2.9941 CSCc1c(ccc2c1cccc2)C 62a_200000210301_100000689653 [0,2,0,0,0,0|2,0,0]=4 1940 B15R2.9941 Cc1ccc2ccccc2c1CS[13CH3] 62a_100000689653_200025704644 [0,2,0,0,0,0|2,0,0]=4 1941 B15R2.9941 Cc1ccc2ccccc2c1CS[13CH3] 62a_200025704644_100000689653 [0,2,0,0,0,0|2,0,0]=4 1942 B15R2.9941 Cc1ccc2ccccc2c1NCF 34a_100000688109_100015361967 [0,2,0,0,0,0|2,0,0]=4 1943 B15R2.9941 Cc1ccc2ccccc2c1OCF 34a_100000039261_100015361967 [0,2,0,0,0,0|2,0,0]=4 1944 B15R2.9941 Cc1ccc2ccccc2c1OCF 7a_100000039261_100015361967 [0,2,0,0,0,0|2,0,0]=4 1945 B15R2.9941 Cc1ccc2ccccc2c1SCF 62a_100000759710_100015361967 [0,2,0,0,0,0|2,0,0]=4 1946 B15R2.9941 Cc1ccc2ccccc2c1SCF 62a_100015361967_100000759710 [0,2,0,0,0,0|2,0,0]=4 1947 B15R2.9941 FCNc1c(ccc2c1cccc2)Br 34a_100009817101_100015361967 [0,2,0,0,0,0|2,0,0]=4 1948 B15R2.9941 FCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100015361967 [0,2,0,0,0,0|2,0,0]=4 1949 B15R2.9941 FCOc1c(ccc2c1cccc2)Br 34a_100009996032_100015361967 [0,2,0,0,0,0|2,0,0]=4 1950 B15R2.9941 FCOc1c(ccc2c1cccc2)Br 7a_100009996032_100015361967 [0,2,0,0,0,0|2,0,0]=4 1951 B15R2.9941 FCSc1c(ccc2c1cccc2)Br 62a_100010090040_100015361967 [0,2,0,0,0,0|2,0,0]=4 1952 B15R2.9941 FCSc1c(ccc2c1cccc2)Br 62a_100015361967_100010090040 [0,2,0,0,0,0|2,0,0]=4 1953 B15R2.9941 Nc1ccc2ccccc2c1OCF 34a_100000007060_100015361967 [0,2,0,0,0,0|2,0,0]=4 1954 B15R2.9941 Nc1ccc2ccccc2c1SCF 62a_100000705303_100015361967 [0,2,0,0,0,0|2,0,0]=4 1955 B15R2.9941 Nc1ccc2ccccc2c1SCF 62a_100015361967_100000705303 [0,2,0,0,0,0|2,0,0]=4 1956 B15R2.9941 Oc1ccc2ccccc2c1NCF 34a_100000007056_100015361967 [0,2,0,0,0,0|1,0,1]=4 1957 B15R2.9941 Oc1ccc2ccccc2c1SCF 62a_100015361967_100000183829 [0,2,0,0,0,0|1,0,1]=4 1958 B15R2.4807 C=Cc1ccc2c(c1)N(C(=O)CO2)C 271570a_100011290941_100010196913 [0,2,0,0,0,0|1,0,1]=4 1959 B15R2.4807 C=Cc1ccc2ccc(=O)n(c2c1)C 271570a_100011290941_200010167779 [0,2,0,0,0,0|0,0,0]=2 1960 B15R2.4807 C=Cc1ccc2ncc(=O)n(c2c1)C 271570a_100011290941_100010221214 [0,2,0,0,0,0|1,0,0]=3 1961 B15R2.4807 CN1C(=O)COc2c1cc(cc2)N[13CH3] 2230a_100000765360_200025704644 [0,2,0,0,0,0|1,0,1]=4 1962 B15R2.4807 CN1C(=O)COc2c1cc(cc2)N[13CH3] 34a_100000765360_200025704644 [0,2,0,0,0,0|1,0,1]=4 1963 B15R2.4807 CN1C(=O)COc2c1cc(cc2)S[13CH3] 62a_100010196913_200025704644 [0,2,0,0,0,0|1,0,1]=4 1964 B15R2.4807 CNc1ccc2c(c1)N(C(=O)CO2)C 2230a_100000765360_200000210301 [0,2,0,0,0,0|1,0,1]=4 1965 B15R2.4807 CNc1ccc2c(c1)N(C(=O)CO2)C 34a_100000765360_200000210301 [0,2,0,0,0,0|1,0,1]=4 1966 B15R2.4807 CSc1ccc2c(c1)N(C(=O)CO2)C 62a_100010196913_200000210301 [0,2,0,0,0,0|1,0,1]=4 1967 B15R2.4807 CSc1ccc2ccc(=O)n(c2c1)C 62a_200000210301_200010167779 [0,2,0,0,0,0|0,0,0]=2 1968 B15R2.4807 CSc1ccc2ccc(=O)n(c2c1)C 62a_200010167779_200000210301 [0,2,0,0,0,0|0,0,0]=2 1969 B15R2.4807 CSc1ccc2ncc(=O)n(c2c1)C 62a_100010221214_200000210301 [0,2,0,0,0,0|1,0,0]=3 1970 B15R2.4807 CSc1ccc2ncc(=O)n(c2c1)C 62a_200000210301_100010221214 [0,2,0,0,0,0|1,0,0]=3 1971 B15R2.4807 Cn1c(=O)ccc2c1cc(cc2)S[13CH3] 62a_200010167779_200025704644 [0,2,0,0,0,0|0,0,0]=2 1972 B15R2.4807 Cn1c(=O)ccc2c1cc(cc2)S[13CH3] 62a_200025704644_200010167779 [0,2,0,0,0,0|0,0,0]=2 1973 B15R2.4807 Cn1c(=O)cnc2c1cc(cc2)S[13CH3] 62a_100010221214_200025704644 [0,2,0,0,0,0|1,0,0]=3 1974 B15R2.4807 Cn1c(=O)cnc2c1cc(cc2)S[13CH3] 62a_200025704644_100010221214 [0,2,0,0,0,0|1,0,0]=3 1975 B15R2.9032 Cc1c(c(=O)n(c2c1cccc2)C)O 271570a_203496583355_100010739255 [0,2,0,0,0,0|0,0,0]=2 1976 B15R2.21211 C=Cc1cc(=O)n(c2c1cccc2)C 271570a_100011290941_100000041018 [0,2,0,0,0,0|0,0,0]=2 1977 B15R2.21211 CNc1cc(=O)n(c2c1cccc2)C 27a_100102657272_100000041018 [0,2,0,0,0,0|0,0,0]=2 1978 B15R2.21211 CSc1cc(=O)n(c2c1cccc2)C 62a_100010246319_200000210301 [0,2,0,0,0,0|0,0,0]=2 1979 B15R2.21211 CSc1cc(=O)n(c2c1cccc2)C 62a_200000210301_100000041018 [0,2,0,0,0,0|0,0,0]=2 1980 B15R2.21211 Cn1c(=O)cc(c2c1cccc2)S[13CH3] 62a_100010246319_200025704644 [0,2,0,0,0,0|0,0,0]=2 1981 B15R2.21211 Cn1c(=O)cc(c2c1cccc2)S[13CH3] 62a_200025704644_100000041018 [0,2,0,0,0,0|0,0,0]=2 1982 B15R2.63814 Cn1c(=O)oc(=O)c2c1ccc(c2)O 271570a_203496583355_100009812665 [0,2,0,0,0,0|1,0,0]=3 1983 B15R2.63893 Cn1c(=O)c(=O)[nH]c2c1ccc(c2)O 271570a_203496583355_100009998729 [0,2,0,0,0,0|1,0,0]=3 1984 B15R2.87046 CN1C(=O)COc2c1c(ccc2)N[13CH3] 2230a_100009852664_200025704644 [0,2,0,0,0,0|1,0,1]=4 1985 B15R2.87046 CN1C(=O)COc2c1c(ccc2)N[13CH3] 34a_100009852664_200025704644 [0,2,0,0,0,0|1,0,1]=4 1986 B15R2.87046 CNc1cccc2c1N(C(=O)CO2)C 2230a_100009852664_200000210301 [0,2,0,0,0,0|1,0,1]=4 1987 B15R2.87046 CNc1cccc2c1N(C(=O)CO2)C 34a_100009852664_200000210301 [0,2,0,0,0,0|1,0,1]=4 1988 B15R2.89401 C=Cc1ccc2c(c1)C=CC(=O)C2=O 271570a_100011290941_100009812793 [0,2,0,0,0,0|2,0,0]=4 1989 B15R2.89401 C=Cc1ccc2c(c1)CCC(=O)N2C 271570a_100011290941_100000699942 [0,2,0,0,0,0|0,0,2]=4 1990 B15R2.89401 C=Cc1ccc2c(c1)OCC(=O)N2C 271570a_100011290941_100010240413 [0,2,0,0,0,0|1,0,1]=4 1991 B15R2.89401 CN1C(=O)CCc2c1ccc(c2)N[13CH3] 34a_100000752220_200025704644 [0,2,0,0,0,0|0,0,2]=4 1992 B15R2.89401 CN1C(=O)CCc2c1ccc(c2)S[13CH3] 62a_100000699942_200025704644 [0,2,0,0,0,0|0,0,2]=4 1993 B15R2.89401 CN1C(=O)CCc2c1ccc(c2)S[13CH3] 62a_200025704644_100000699942 [0,2,0,0,0,0|0,0,2]=4 1994 B15R2.89401 CN1C(=O)COc2c1ccc(c2)N[13CH3] 34a_100000722753_200025704644 [0,2,0,0,0,0|1,0,1]=4 1995 B15R2.89401 CN1C(=O)COc2c1ccc(c2)S[13CH3] 62a_100010240413_200025704644 [0,2,0,0,0,0|1,0,1]=4 1996 B15R2.89401 CNc1ccc2c(c1)CCC(=O)N2C 34a_100000752220_200000210301 [0,2,0,0,0,0|0,0,2]=4 1997 B15R2.89401 CNc1ccc2c(c1)OCC(=O)N2C 34a_100000722753_200000210301 [0,2,0,0,0,0|1,0,1]=4 1998 B15R2.89401 CSc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_200000210301 [0,2,0,0,0,0|2,0,0]=4 1999 B15R2.89401 CSc1ccc2c(c1)C=CC(=O)C2=O 62a_200000210301_100009812793 [0,2,0,0,0,0|2,0,0]=4 2000 B15R2.89401 CSc1ccc2c(c1)CCC(=O)N2C 62a_100000699942_200000210301 [0,2,0,0,0,0|0,0,2]=4 2001 B15R2.89401 CSc1ccc2c(c1)CCC(=O)N2C 62a_200000210301_100000699942 [0,2,0,0,0,0|0,0,2]=4 2002 B15R2.89401 CSc1ccc2c(c1)OCC(=O)N2C 62a_100010240413_200000210301 [0,2,0,0,0,0|1,0,1]=4 2003 B15R2.89401 [13CH3]Sc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_200025704644 [0,2,0,0,0,0|2,0,0]=4 2004 B15R2.89401 [13CH3]Sc1ccc2c(c1)C=CC(=O)C2=O 62a_200025704644_100009812793 [0,2,0,0,0,0|2,0,0]=4 2005 B11R0.155 C=CCN(C)C(=O)C=C/C=C/C 11a_100000225617_100000185730 [0,0,2,0,0,0|0,0,2]=4 2006 B11R0.155 C=CCN(C)C(=O)C=C/C=C/C 1626a_100000225617_100000185730 [0,0,2,0,0,0|0,0,2]=4 2007 B11R0.155 C=CCN(C)C(=O)C=C/C=C/C 240690a_100000225617_100000185730 [0,0,2,0,0,0|0,0,2]=4 2008 B11R0.11 C=CC=CC(=O)N(C)CCC=C 1626a_100020639649_100016291481 [0,0,2,0,0,0|0,0,2]=4 2009 B13R2.10 Cc1cc(n[nH]1)c2ccccc2 271570a_100009872134_100000210277 [0,0,1,1,0,0|2,0,0]=4 2010 B13R2.10 Cc1cc(n[nH]1)c2ccccc2 271570a_100011218836_100015199547 [0,0,1,1,0,0|2,0,0]=4 2011 B13R2.10 Nc1cc(n[nH]1)c2ccccc2 271570a_100011218836_100009822546 [0,0,1,1,0,0|2,0,0]=4 2012 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [0,0,1,1,0,0|1,0,0]=3 2013 B13R2.10 O=C1C=C(CC1)c2ccccn2 271570a_100010737933_100011216584 [0,0,1,1,0,0|2,0,0]=4 2014 B13R2.10 O=C1C=C(CC1)c2cccnc2 271570a_100010737933_100000752921 [0,0,1,1,0,0|2,0,0]=4 2015 B13R2.10 O=C1C=C(CC1)c2ccncc2 271570a_100010737933_100000035832 [0,0,1,1,0,0|2,0,0]=4 2016 B13R2.10 Oc1cc(n[nH]1)c2ccccc2 271570a_203496583355_114929179799 [0,0,1,1,0,0|1,0,1]=4 2017 B13R2.15272 CNC(=O)C1Cc2c1cccc2 11a_106832991635_200000238571 [0,0,1,1,0,0|0,0,2]=4 2018 B13R2.15272 CNC(=O)C1Cc2c1cccc2 1626a_100102657272_200000238571 [0,0,1,1,0,0|0,0,2]=4 2019 B13R2.15272 CNC(=O)C1Cc2c1cccc2 240690a_100102657272_200000238571 [0,0,1,1,0,0|0,0,2]=4 2020 B13R2.15272 CNC(=O)C1Cc2c1cccc2 527a_100102657272_200000238571 [0,0,1,1,0,0|0,0,2]=4 2021 B13R2.15 Oc1ccnn1c2ccccc2 271570a_203496583355_100011001034 [0,0,1,1,0,0|1,0,1]=4 2022 B13R2.582 C=Cc1cccc2c1c(c[nH]2)C 271570a_100011290941_100010194227 [0,0,1,1,0,0|2,0,0]=4 2023 B13R2.582 C=Cc1cccc2c1n(cc2)C 271570a_100011290941_100009817156 [0,0,1,1,0,0|1,0,0]=3 2024 B13R2.582 C=Cc1cccc2c1n(cn2)C 271570a_100011290941_100010749505 [0,0,1,1,0,0|1,0,0]=3 2025 B13R2.582 C=Cc1cccc2c1n(nc2)C 271570a_100011290941_100009817178 [0,0,1,1,0,0|2,0,0]=4 2026 B13R2.582 C=Cc1nccc2c1n(cn2)C 271570a_100011290941_200010979149 [0,0,1,1,0,0|2,0,0]=4 2027 B13R2.1 CC=Cc1n[nH]c2c1cccc2 271570a_100016259895_100000050141 [0,0,1,1,0,0|2,0,0]=4 2028 B13R2.573 CNc1cccc2c1CNC2=O 2230a_100000087543_200000210301 [0,0,1,1,0,0|1,0,1]=4 2029 B13R2.573 CNc1cccc2c1ccn2C 34a_100000750317_200000210301 [0,0,1,1,0,0|2,0,0]=4 2030 B13R2.573 Cn1ccc2c1cccc2N[13CH3] 34a_100000750317_200025704644 [0,0,1,1,0,0|2,0,0]=4 2031 B13R2.573 [13CH3]Nc1cccc2c1CNC2=O 2230a_100000087543_200025704644 [0,0,1,1,0,0|1,0,1]=4 2032 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [0,0,1,0,1,0|2,0,0]=4 2033 B11R1.25 CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210202 [0,0,1,0,1,0|2,0,0]=4 2034 B11R1.25 CCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210202 [0,0,1,0,1,0|2,0,0]=4 2035 B11R1.25 CNC(=O)C=Cc1c[nH]cn1 240690a_100102657272_100102678534 [0,0,1,0,1,0|2,0,0]=4 2036 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [0,0,1,0,1,0|1,0,0]=3 2037 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [0,0,1,0,1,0|1,0,0]=3 2038 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [0,0,1,0,1,0|1,0,0]=3 2039 B11R1.25 CNC(=O)C=Cc1ccoc1 11a_106832991635_100000238621 [0,0,1,0,1,0|1,0,0]=3 2040 B11R1.25 CNC(=O)C=Cc1ccoc1 1626a_100102657272_100000238621 [0,0,1,0,1,0|1,0,0]=3 2041 B11R1.25 CNC(=O)C=Cc1ccoc1 240690a_100102657272_100000238621 [0,0,1,0,1,0|1,0,0]=3 2042 B11R1.25 CNC(=O)C=Cc1ccsc1 11a_106832991635_100000698588 [0,0,1,0,1,0|1,0,0]=3 2043 B11R1.25 CNC(=O)C=Cc1ccsc1 1626a_100102657272_100000698588 [0,0,1,0,1,0|1,0,0]=3 2044 B11R1.25 CNC(=O)C=Cc1ccsc1 240690a_100102657272_100000698588 [0,0,1,0,1,0|1,0,0]=3 2045 B11R1.25 CNC(=O)C=Cc1ccsc1 527a_100102657272_100000698588 [0,0,1,0,1,0|1,0,0]=3 2046 B11R1.25 CNC(=O)C=Cc1cscn1 11a_106832991635_200000747928 [0,0,1,0,1,0|2,0,0]=4 2047 B11R1.25 CNC(=O)C=Cc1cscn1 1626a_100102657272_200000747928 [0,0,1,0,1,0|2,0,0]=4 2048 B11R1.25 CNC(=O)C=Cc1cscn1 240690a_100102657272_200000747928 [0,0,1,0,1,0|2,0,0]=4 2049 B11R1.25 CNC(=O)C=Cc1nccs1 11a_106832991635_100102558208 [0,0,1,0,1,0|2,0,0]=4 2050 B11R1.25 CNC(=O)C=Cc1nccs1 240690a_100102657272_100102558208 [0,0,1,0,1,0|2,0,0]=4 2051 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,1,0|1,0,1]=4 2052 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,1,0|1,0,1]=4 2053 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,1,0|0,0,1]=3 2054 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,1,0|1,0,1]=4 2055 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,1,0|1,0,1]=4 2056 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,0,0,0,1,0|1,0,1]=4 2057 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,0,1,0|1,0,1]=4 2058 B13R1.718 C#CC(=O)C/C=C/c1ccccc1 1458a_100000211873_100016265936 [0,0,1,0,0,1|1,0,1]=4 2059 B13R1.718 C=CC(=O)C/C=C/c1ccccc1 1458a_100000185746_100016265936 [0,0,1,0,0,1|1,0,1]=4 2060 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100000210414_100016265936 [0,0,1,0,0,1|1,0,0]=3 2061 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210202 [0,0,1,0,0,1|1,0,0]=3 2062 B13R1.718 CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210202 [0,0,1,0,0,1|1,0,0]=3 2063 B13R1.718 CCC(=O)NN=Cc1ccccc1 4a_100000183195_100015611070 [0,0,1,0,0,1|2,0,0]=4 2064 B13R1.718 CNC(=O)C/C=C/c1ccccc1 11a_106832991635_100011219626 [0,0,1,0,0,1|0,0,0]=2 2065 B13R1.718 CNC(=O)C/C=C/c1ccccc1 1626a_100102657272_100011219626 [0,0,1,0,0,1|0,0,0]=2 2066 B13R1.718 CNC(=O)C/C=C/c1ccccc1 240690a_100102657272_100011219626 [0,0,1,0,0,1|0,0,0]=2 2067 B13R1.718 CNC(=O)C=CSc1ccccc1 11a_106832991635_100016262050 [0,0,1,0,0,1|0,0,0]=2 2068 B13R1.718 CNC(=O)C=CSc1ccccc1 1626a_100102657272_100016262050 [0,0,1,0,0,1|0,0,0]=2 2069 B13R1.718 CNC(=O)C=CSc1ccccc1 240690a_100102657272_100016262050 [0,0,1,0,0,1|0,0,0]=2 2070 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,0,1,0,0,1|0,0,2]=4 2071 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,0,1,0,0,1|0,0,2]=4 2072 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,0,1,0,0,1|0,0,2]=4 2073 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,0,1,0,0,1|0,0,2]=4 2074 B13R1.718 CNC(=O)CCNc1ccccc1 34a_100000106764_100012179268 [0,0,1,0,0,1|0,0,2]=4 2075 B13R1.718 CNC(=O)CCOc1ccccc1 11a_106832991635_100000182761 [0,0,1,0,0,1|0,0,2]=4 2076 B13R1.718 CNC(=O)CCOc1ccccc1 1626a_100102657272_100000182761 [0,0,1,0,0,1|0,0,2]=4 2077 B13R1.718 CNC(=O)CCOc1ccccc1 240690a_100102657272_100000182761 [0,0,1,0,0,1|0,0,2]=4 2078 B13R1.718 CNC(=O)CCOc1ccccc1 34a_100000210340_100012179268 [0,0,1,0,0,1|0,0,2]=4 2079 B13R1.718 CNC(=O)CCOc1ccccc1 7a_100000210340_100000737683 [0,0,1,0,0,1|0,0,2]=4 2080 B13R1.718 CNC(=O)CCSc1ccccc1 11a_106832991635_100000182436 [0,0,1,0,0,1|0,0,2]=4 2081 B13R1.718 CNC(=O)CCSc1ccccc1 1626a_100102657272_100000182436 [0,0,1,0,0,1|0,0,2]=4 2082 B13R1.718 CNC(=O)CCSc1ccccc1 240690a_100102657272_100000182436 [0,0,1,0,0,1|0,0,2]=4 2083 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000719477_100000737683 [0,0,1,0,0,1|0,0,2]=4 2084 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000737683_100000041952 [0,0,1,0,0,1|0,0,2]=4 2085 B13R1.718 CNC(=O)CNCc1ccccc1 207a_100000693194_100015611070 [0,0,1,0,0,1|0,0,2]=4 2086 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100000693194_100015291786 [0,0,1,0,0,1|0,0,2]=4 2087 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100015324214_100000183359 [0,0,1,0,0,1|0,0,2]=4 2088 B13R1.718 CNC(=O)CNCc1ccccc1 270004a_100000693194_100015611070 [0,0,1,0,0,1|0,0,2]=4 2089 B13R1.718 CNC(=O)CNCc1ccccc1 34a_100015324214_100000183359 [0,0,1,0,0,1|0,0,2]=4 2090 B13R1.718 CNC(=O)COCc1ccccc1 11a_106832991635_100000230186 [0,0,1,0,0,1|0,0,2]=4 2091 B13R1.718 CNC(=O)COCc1ccccc1 1626a_100102657272_100000230186 [0,0,1,0,0,1|0,0,2]=4 2092 B13R1.718 CNC(=O)COCc1ccccc1 240690a_100102657272_100000230186 [0,0,1,0,0,1|0,0,2]=4 2093 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000210790_100000183359 [0,0,1,0,0,1|0,0,2]=4 2094 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000750040_100015291786 [0,0,1,0,0,1|0,0,2]=4 2095 B13R1.718 CNC(=O)COCc1ccccc1 527a_100102657272_100000230186 [0,0,1,0,0,1|0,0,2]=4 2096 B13R1.718 CNC(=O)COCc1ccccc1 7a_100000210790_100000183359 [0,0,1,0,0,1|0,0,2]=4 2097 B13R1.718 CNC(=O)CSCc1ccccc1 11a_106832991635_100000150264 [0,0,1,0,0,1|0,0,2]=4 2098 B13R1.718 CNC(=O)CSCc1ccccc1 1626a_100102657272_100000150264 [0,0,1,0,0,1|0,0,2]=4 2099 B13R1.718 CNC(=O)CSCc1ccccc1 240690a_100102657272_100000150264 [0,0,1,0,0,1|0,0,2]=4 2100 B13R1.718 CNC(=O)CSCc1ccccc1 527a_100102657272_100000150264 [0,0,1,0,0,1|0,0,2]=4 2101 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000183359_100015291786 [0,0,1,0,0,1|0,0,2]=4 2102 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000211182_100000183359 [0,0,1,0,0,1|0,0,2]=4 2103 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [0,0,1,0,0,1|0,0,2]=4 2104 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [0,0,1,0,0,1|0,0,2]=4 2105 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [0,0,1,0,0,1|0,0,2]=4 2106 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [0,0,1,0,0,1|0,0,2]=4 2107 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [0,0,1,0,0,1|0,0,2]=4 2108 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [0,0,1,0,0,1|0,0,2]=4 2109 B13R1.718 CNC(=O)NNCc1ccccc1 273464a_100102657272_100000007032 [0,0,1,0,0,1|1,0,1]=4 2110 B13R1.718 CNC(=O)NNCc1ccccc1 512a_106832991638_100000007032 [0,0,1,0,0,1|1,0,1]=4 2111 B13R1.718 COC(=O)C=NNc1ccccc1 4a_100015195140_200011823558 [0,0,1,0,0,1|2,0,0]=4 2112 B13R1.718 O=C(C=CSc1ccccc1)CF 1458a_100016262050_100015361967 [0,0,1,0,0,1|2,0,0]=4 2113 B13R1.718 O=C(CF)C/C=C/c1ccccc1 1458a_100011219626_100015361967 [0,0,1,0,0,1|2,0,0]=4 2114 B13R1.718 O=C(CO)C/C=C/c1ccccc1 1458a_100000210174_100016265936 [0,0,1,0,0,1|2,0,0]=4 2115 B13R1.201 C=C(C)CN(C)c1ccccc1Br 2230a_100020606079_100000748629 [0,0,1,0,0,1|2,0,0]=4 2116 B13R1.201 C=C(C)CN(C)c1ccccc1Br 269982a_100020606079_100000748629 [0,0,1,0,0,1|2,0,0]=4 2117 B13R1.201 C=C(C)CN(C)c1ccccc1Br 34a_100020606079_100000748629 [0,0,1,0,0,1|2,0,0]=4 2118 B13R1.201 C=C(C)CN(C)c1ccccc1C 2230a_100000219699_100000748629 [0,0,1,0,0,1|1,0,1]=4 2119 B13R1.201 C=C(C)CN(C)c1ccccc1C 269982a_100000219699_100000748629 [0,0,1,0,0,1|1,0,1]=4 2120 B13R1.201 C=C(C)CN(C)c1ccccc1C 34a_100000219699_100000748629 [0,0,1,0,0,1|1,0,1]=4 2121 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 2230a_100000219374_100000748629 [0,0,1,0,0,1|2,0,0]=4 2122 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 269982a_100000219374_100000748629 [0,0,1,0,0,1|2,0,0]=4 2123 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 34a_100000219374_100000748629 [0,0,1,0,0,1|2,0,0]=4 2124 B13R1.201 C=C(C)CN(C)c1ccccc1F 2230a_100000220357_100000748629 [0,0,1,0,0,1|2,0,0]=4 2125 B13R1.201 C=C(C)CN(C)c1ccccc1F 269982a_100000220357_100000748629 [0,0,1,0,0,1|2,0,0]=4 2126 B13R1.201 C=C(C)CN(C)c1ccccc1F 34a_100000220357_100000748629 [0,0,1,0,0,1|2,0,0]=4 2127 B13R1.201 C=C(C)CN(C)c1ccccc1F 38a_100000220357_100000748629 [0,0,1,0,0,1|2,0,0]=4 2128 B13R1.201 C=C(C)CN(C)c1ccccc1O 269982a_100000033821_100000748629 [0,0,1,0,0,1|2,0,0]=4 2129 B13R1.201 C=C(F)CN(C)c1ccccc1Br 2230a_100020606079_100009893438 [0,0,1,0,0,1|2,0,0]=4 2130 B13R1.201 C=C(F)CN(C)c1ccccc1Br 269982a_100020606079_100009893438 [0,0,1,0,0,1|2,0,0]=4 2131 B13R1.201 C=C(F)CN(C)c1ccccc1Br 34a_100020606079_100009893438 [0,0,1,0,0,1|2,0,0]=4 2132 B13R1.201 C=C(F)CN(C)c1ccccc1C 2230a_100000219699_100009893438 [0,0,1,0,0,1|1,0,1]=4 2133 B13R1.201 C=C(F)CN(C)c1ccccc1C 269982a_100000219699_100009893438 [0,0,1,0,0,1|1,0,1]=4 2134 B13R1.201 C=C(F)CN(C)c1ccccc1C 34a_100000219699_100009893438 [0,0,1,0,0,1|1,0,1]=4 2135 B13R1.201 C=C(F)CN(C)c1ccccc1Cl 2230a_100000219374_100009893438 [0,0,1,0,0,1|2,0,0]=4 2136 B13R1.201 C=C(F)CN(C)c1ccccc1Cl 269982a_100000219374_100009893438 [0,0,1,0,0,1|2,0,0]=4 2137 B13R1.201 C=C(F)CN(C)c1ccccc1Cl 34a_100000219374_100009893438 [0,0,1,0,0,1|2,0,0]=4 2138 B13R1.201 C=C(F)CN(C)c1ccccc1F 2230a_100000220357_100009893438 [0,0,1,0,0,1|2,0,0]=4 2139 B13R1.201 C=C(F)CN(C)c1ccccc1F 269982a_100000220357_100009893438 [0,0,1,0,0,1|2,0,0]=4 2140 B13R1.201 C=C(F)CN(C)c1ccccc1F 34a_100000220357_100009893438 [0,0,1,0,0,1|2,0,0]=4 2141 B13R1.201 C=C(F)CN(C)c1ccccc1F 38a_100000220357_100009893438 [0,0,1,0,0,1|2,0,0]=4 2142 B13R1.201 C=C(F)CN(C)c1ccccc1O 269982a_100000033821_100009893438 [0,0,1,0,0,1|2,0,0]=4 2143 B13R1.201 CN(CC(=O)N)c1ccccc1Br 2230a_100020606079_100000747473 [0,0,1,0,0,1|2,0,0]=4 2144 B13R1.201 CN(CC(=O)N)c1ccccc1Br 269982a_100020606079_100000187820 [0,0,1,0,0,1|2,0,0]=4 2145 B13R1.201 CN(CC(=O)N)c1ccccc1Br 34a_100020606079_100000187820 [0,0,1,0,0,1|2,0,0]=4 2146 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 2230a_100000219374_100000747473 [0,0,1,0,0,1|2,0,0]=4 2147 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 269982a_100000219374_100000187820 [0,0,1,0,0,1|2,0,0]=4 2148 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 34a_100000219374_100000187820 [0,0,1,0,0,1|2,0,0]=4 2149 B13R1.201 CN(CC(=O)N)c1ccccc1F 2230a_100000220357_100000747473 [0,0,1,0,0,1|2,0,0]=4 2150 B13R1.201 CN(CC(=O)N)c1ccccc1F 269982a_100000220357_100000187820 [0,0,1,0,0,1|2,0,0]=4 2151 B13R1.201 CN(CC(=O)N)c1ccccc1F 34a_100000220357_100000187820 [0,0,1,0,0,1|2,0,0]=4 2152 B13R1.201 CN(CC(=O)N)c1ccccc1F 38a_100000220357_100000747473 [0,0,1,0,0,1|2,0,0]=4 2153 B13R1.201 CN(CC(=O)N)c1ccccc1O 269982a_100000033821_100000187820 [0,0,1,0,0,1|2,0,0]=4 2154 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200000210301 [0,0,1,0,0,1|2,0,0]=4 2155 B13R1.201 CN(CC(=O)O)c1ccccc1F 269956a_200011202418_200000210301 [0,0,1,0,0,1|2,0,0]=4 2156 B13R1.201 CN(CC(=O)[O-])c1ccccc1Br 269982a_100020606079_100020667443 [0,0,1,0,0,1|2,0,0]=4 2157 B13R1.201 CN(CC(=O)[O-])c1ccccc1Br 34a_100020606079_100020667443 [0,0,1,0,0,1|2,0,0]=4 2158 B13R1.201 CN(CC(=O)[O-])c1ccccc1Cl 269982a_100000219374_100020667443 [0,0,1,0,0,1|2,0,0]=4 2159 B13R1.201 CN(CC(=O)[O-])c1ccccc1Cl 34a_100000219374_100020667443 [0,0,1,0,0,1|2,0,0]=4 2160 B13R1.201 CN(CC(=O)[O-])c1ccccc1F 269982a_100000220357_100020667443 [0,0,1,0,0,1|2,0,0]=4 2161 B13R1.201 CN(CC(=O)[O-])c1ccccc1F 34a_100000220357_100020667443 [0,0,1,0,0,1|2,0,0]=4 2162 B13R1.201 CN(CC(=O)[O-])c1ccccc1F 38a_100000220357_100020667443 [0,0,1,0,0,1|2,0,0]=4 2163 B13R1.201 CN(CC(=O)[O-])c1ccccc1O 269982a_100000033821_100020667443 [0,0,1,0,0,1|2,0,0]=4 2164 B13R1.201 Cc1ccccc1N(C)CC(=O)N 2230a_100000219699_100000747473 [0,0,1,0,0,1|1,0,1]=4 2165 B13R1.201 Cc1ccccc1N(C)CC(=O)N 269982a_100000219699_100000187820 [0,0,1,0,0,1|1,0,1]=4 2166 B13R1.201 Cc1ccccc1N(C)CC(=O)N 34a_100000219699_100000187820 [0,0,1,0,0,1|1,0,1]=4 2167 B13R1.201 Cc1ccccc1N(C)CC(=O)O 269956a_200011202413_200000210301 [0,0,1,0,0,1|1,0,1]=4 2168 B13R1.201 Cc1ccccc1N(C)CC(=O)[O-] 269982a_100000219699_100020667443 [0,0,1,0,0,1|1,0,1]=4 2169 B13R1.201 Cc1ccccc1N(C)CC(=O)[O-] 34a_100000219699_100020667443 [0,0,1,0,0,1|1,0,1]=4 2170 B13R1.201 Cc1ccccc1N([13CH3])CC(=O)O 269956a_200011202413_200025704644 [0,0,1,0,0,1|1,0,1]=4 2171 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200025704644 [0,0,1,0,0,1|2,0,0]=4 2172 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1F 269956a_200011202418_200025704644 [0,0,1,0,0,1|2,0,0]=4 2173 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 11a_100000184654_100015343762 [0,0,1,0,0,1|1,0,1]=4 2174 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 1626a_100000184654_100015343762 [0,0,1,0,0,1|1,0,1]=4 2175 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 240690a_100000184654_100015343762 [0,0,1,0,0,1|1,0,1]=4 2176 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 527a_100000184654_100103153847 [0,0,1,0,0,1|1,0,1]=4 2177 B13R1.202 CC(=O)N(C)Cc1ccccc1C 1626a_100000184421_100015343762 [0,0,1,0,0,1|0,0,2]=4 2178 B13R1.202 CC(=O)N(C)Cc1ccccc1C 240690a_100000184421_100015343762 [0,0,1,0,0,1|0,0,2]=4 2179 B13R1.202 CC(=O)N(C)Cc1ccccc1C 527a_100000184421_100103153847 [0,0,1,0,0,1|0,0,2]=4 2180 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 11a_100000184507_100015343762 [0,0,1,0,0,1|1,0,1]=4 2181 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 1626a_100000184507_100015343762 [0,0,1,0,0,1|1,0,1]=4 2182 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 240690a_100000184507_100015343762 [0,0,1,0,0,1|1,0,1]=4 2183 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 527a_100000184507_100103153847 [0,0,1,0,0,1|1,0,1]=4 2184 B13R1.202 CC(=O)N(C)Cc1ccccc1F 11a_100000742528_100015343762 [0,0,1,0,0,1|1,0,1]=4 2185 B13R1.202 CC(=O)N(C)Cc1ccccc1F 1626a_100000742528_100015343762 [0,0,1,0,0,1|1,0,1]=4 2186 B13R1.202 CC(=O)N(C)Cc1ccccc1F 240690a_100000742528_100015343762 [0,0,1,0,0,1|1,0,1]=4 2187 B13R1.202 CC(=O)N(C)Cc1ccccc1F 527a_100000742528_100103153847 [0,0,1,0,0,1|1,0,1]=4 2188 B13R1.202 CC(=O)N(C)Cc1ccccc1O 240690a_100015189988_100015343762 [0,0,1,0,0,1|1,0,1]=4 2189 B13R1.202 CC(=O)N(C)Cc1ccccc1O 527a_100015189988_100103153847 [0,0,1,0,0,1|1,0,1]=4