0 B13R2.3683 C[n+]1ccc2cc(ccc2c1)O 271570a_203496583355_100015191232 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.3683 Cc1ccc2cc(ccc2n1)O 271570a_203496583355_100000686635 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.3683 Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100011865911 [0,0,0,0,0,0|1,0,1]=2 3 B13R2.3683 Cc1ccc2nc(ccc2n1)O 271570a_203496583355_200009884078 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.3683 Cc1cnc2cc(ccc2c1)O 271570a_203496583355_100010751441 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.3683 Nc1cc2ccc(cc2cn1)O 271570a_203496583355_100010232990 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.3683 Nc1ccc2cc(ccc2n1)O 271570a_203496583355_100011934619 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.3683 Nc1ccc2cc(cnc2c1)O 271570a_203496583355_200010264087 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.3683 Nc1ccc2cc(cnc2n1)O 271570a_203496583355_100010214896 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.3683 Nc1ccc2nc(cnc2c1)O 271570a_203496583355_100009885871 [0,0,0,0,0,0|3,0,1]=4 11 B13R2.3683 Nc1cnc2cc(ccc2c1)O 271570a_203496583355_100010142226 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.3683 Nc1ncc2cc(ccc2n1)O 271570a_203496583355_100010138702 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.3683 O=C1CCc2cc(ccc2C1)O 271570a_203496583355_100000753102 [0,0,0,0,0,0|2,0,2]=4 14 B13R2.3683 O=C1CCc2cc(ccc2N1)O 271570a_203496583355_100000754843 [0,0,0,0,0,0|2,0,2]=4 15 B13R2.3683 O=C1CCc2cc(ccc2O1)O 271570a_203496583355_100010179853 [0,0,0,0,0,0|1,0,2]=3 16 B13R2.3683 O=C1CNc2cc(ccc2N1)O 271570a_203496583355_100000693460 [0,0,0,0,0,0|3,0,1]=4 17 B13R2.3683 O=C1COc2cc(ccc2N1)O 271570a_203496583355_100000745508 [0,0,0,0,0,0|3,0,1]=4 18 B13R2.3683 O=C1CSc2cc(ccc2N1)O 271570a_203496583355_100011830382 [0,0,0,0,0,0|3,0,1]=4 19 B13R2.3683 O=C1Cc2ccc(cc2CN1)O 271570a_203496583355_100010174877 [0,0,0,0,0,0|3,0,1]=4 20 B13R2.3683 O=C1NCc2cc(ccc2N1)O 271570a_203496583355_100010171468 [0,0,0,0,0,0|3,0,1]=4 21 B13R2.3683 O=C1Nc2ccc(cc2CO1)O 271570a_203496583355_100010219366 [0,0,0,0,0,0|3,0,1]=4 22 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [0,0,0,0,0,0|2,0,0]=2 23 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [0,0,0,0,0,0|1,0,0]=1 24 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [0,0,0,0,0,0|3,0,0]=3 25 B13R2.3683 O=c1cnc2cc(cnc2[nH]1)O 271570a_203496583355_200010159638 [0,0,0,0,0,0|4,0,0]=4 26 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [0,0,0,0,0,0|2,0,1]=3 27 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [0,0,0,0,0,0|2,0,1]=3 28 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [0,0,0,0,0,0|2,0,1]=3 29 B13R2.3683 Oc1ccc2cc(ccc2n1)F 271570a_203496583355_100011998705 [0,0,0,0,0,0|2,0,1]=3 30 B13R2.3683 Oc1ccc2cc(cnc2c1)Br 271570a_203496583355_200015509644 [0,0,0,0,0,0|3,0,1]=4 31 B13R2.3683 Oc1ccc2cc(cnc2c1)F 271570a_203496583355_100010751466 [0,0,0,0,0,0|3,0,1]=4 32 B13R2.3683 Oc1ccc2nc(ccc2c1)Cl 271570a_203496583355_200012034268 [0,0,0,0,0,0|3,0,0]=3 33 B13R2.3683 Oc1ccc2nc(ccc2c1)O 271570a_203496583355_100009849208 [0,0,0,0,0,0|2,0,1]=3 34 B13R2.3683 Oc1ccc2nc(cnc2c1)O 271570a_203496583355_200010664160 [0,0,0,0,0,0|3,0,1]=4 35 B13R2.3683 Oc1cnc2cc(ccc2c1)Cl 271570a_203496583355_100015716233 [0,0,0,0,0,0|3,0,1]=4 36 B13R2.3683 Oc1cnc2cc(ccc2c1)O 271570a_203496583355_200010153753 [0,0,0,0,0,0|3,0,1]=4 37 B13R2.3683 Oc1cnc2cc(ccc2n1)F 271570a_203496583355_100000098432 [0,0,0,0,0,0|3,0,1]=4 38 B13R2.3683 Oc1cnc2nc(ccc2c1)O 271570a_203496583355_100009814606 [0,0,0,0,0,0|3,0,1]=4 39 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,0,0,0|1,0,1]=3 41 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,0,0,0|1,0,1]=3 42 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [1,0,0,0,0,0|2,0,1]=4 43 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [1,0,0,0,0,0|2,0,1]=4 46 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [1,0,0,0,0,0|2,0,1]=4 47 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [1,0,0,0,0,0|2,0,0]=3 48 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [1,0,0,0,0,0|2,0,1]=4 49 B12R2.24 Oc1ccc2nccnc2c1 271570a_203496583355_100011219451 [1,0,0,0,0,0|3,0,0]=4 50 B12R2.24 Oc1ccc2ncncc2c1 271570a_203496583355_100009989443 [1,0,0,0,0,0|3,0,0]=4 51 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [1,0,0,0,0,0|3,0,0]=4 52 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [1,0,0,0,0,0|2,0,1]=4 53 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [1,0,0,0,0,0|2,0,1]=4 54 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [1,0,0,0,0,0|2,0,1]=4 55 B14R2.2332 C=Cc1ccc2[nH]c(=O)ccc2c1 271570a_100011290941_100011934725 [0,1,0,0,0,0|1,0,1]=3 56 B14R2.2332 C=Cc1ccc2[nH]c(=O)cnc2c1 271570a_100011290941_100010209493 [0,1,0,0,0,0|2,0,1]=4 57 B14R2.2332 C=Cc1ccc2c(c1)CCC(=O)O2 271570a_100011290941_100010179853 [0,1,0,0,0,0|0,0,3]=4 58 B14R2.2332 C=Cc1ccc2c[n+](ccc2c1)C 271570a_100011290941_100015191232 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.2332 C=Cc1ccc2cc(ccc2c1)Br 271570a_100011290941_100012344972 [0,1,0,0,0,0|2,0,1]=4 60 B14R2.2332 C=Cc1ccc2cc(ccc2c1)F 271570a_100011290941_100009817052 [0,1,0,0,0,0|2,0,1]=4 61 B14R2.2332 C=Cc1ccc2cc(ccc2c1)N 271570a_100011290941_100000185457 [0,1,0,0,0,0|2,0,1]=4 62 B14R2.2332 C=Cc1ccc2cc(ccc2c1)O 271570a_100011290941_100000185455 [0,1,0,0,0,0|1,0,2]=4 63 B14R2.2332 C=Cc1ccc2cc(ccc2n1)C 271570a_100011290941_100011865911 [0,1,0,0,0,0|2,0,0]=3 64 B14R2.2332 C=Cc1ccc2cc(ccc2n1)F 271570a_100011290941_100011998705 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.2332 C=Cc1ccc2cc(ccc2n1)O 271570a_100011290941_100009849208 [0,1,0,0,0,0|3,0,0]=4 66 B14R2.2332 C=Cc1ccc2cc(cnc2c1)C 271570a_100011290941_100010751441 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.2332 C=Cc1ccc2nc(ccc2c1)C 271570a_100011290941_100000686635 [0,1,0,0,0,0|2,0,1]=4 68 B14R2.2332 C=Cc1ccc2nc(ccc2c1)Cl 271570a_100011290941_200012034268 [0,1,0,0,0,0|2,0,1]=4 69 B14R2.2332 C=Cc1ccc2nc(ccc2c1)N 271570a_100011290941_100011934619 [0,1,0,0,0,0|2,0,1]=4 70 B14R2.2332 C=Cc1ccc2nc(ccc2n1)C 271570a_100011290941_200009884078 [0,1,0,0,0,0|3,0,0]=4 71 B14R2.2332 C=Cc1ccc2oc(=O)ccc2c1 271570a_100011290941_100009999946 [0,1,0,0,0,0|0,0,1]=2 72 B14R2.2332 CNc1ccc2c(c1)CCC(=O)N2 34a_100000738032_200000210301 [0,1,0,0,0,0|1,0,2]=4 73 B14R2.2332 CNc1ccc2cc(ccc2c1)Br 34a_100000185457_200000210301 [0,1,0,0,0,0|2,0,0]=3 74 B14R2.2332 CNc1ccc2cc(ccc2c1)Br 7a_100000185457_200000210301 [0,1,0,0,0,0|2,0,0]=3 75 B14R2.2332 CNc1ccc2cc(ccc2n1)C 27a_100102657272_100011865911 [0,1,0,0,0,0|2,0,0]=3 76 B14R2.2332 CNc1ccc2cc(ccc2n1)F 27a_100102657272_100011998705 [0,1,0,0,0,0|3,0,0]=4 77 B14R2.2332 CNc1ccc2cc(ccc2n1)O 271570a_203496583355_200012034361 [0,1,0,0,0,0|2,0,1]=4 78 B14R2.2332 CNc1ccc2cc(cnc2c1)Br 27a_100102657272_200015509644 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.2332 CNc1ccc2cc(cnc2c1)Br 34a_200010264087_200000210301 [0,1,0,0,0,0|3,0,0]=4 80 B14R2.2332 CNc1ccc2nc(ccc2c1)C 34a_100011216442_200000210301 [0,1,0,0,0,0|2,0,0]=3 81 B14R2.2332 CNc1ccc2nc(ccc2n1)C 27a_100102657272_200009884078 [0,1,0,0,0,0|3,0,0]=4 82 B14R2.2332 CNc1ccc2nc(cnc2c1)Cl 34a_100009885871_200000210301 [0,1,0,0,0,0|3,0,0]=4 83 B14R2.2332 CNc1ccc2oc(=O)ccc2c1 7a_100000008519_200000210301 [0,1,0,0,0,0|0,0,0]=1 84 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 34a_100009852394_200000210301 [0,1,0,0,0,0|1,0,2]=4 85 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 7a_100009852394_200000210301 [0,1,0,0,0,0|1,0,2]=4 86 B14R2.2332 COc1ccc2c(c1)CCC(=O)N2 34a_100000735524_200000210301 [0,1,0,0,0,0|1,0,2]=4 87 B14R2.2332 COc1ccc2cc(ccc2c1)Br 34a_100000185455_200000210301 [0,1,0,0,0,0|2,0,0]=3 88 B14R2.2332 COc1ccc2cc(ccc2c1)Br 7a_100000185455_200000210301 [0,1,0,0,0,0|2,0,0]=3 89 B14R2.2332 COc1ccc2cc(ccc2c1)C 34a_100000074090_200000210301 [0,1,0,0,0,0|1,0,1]=3 90 B14R2.2332 COc1ccc2cc(ccc2c1)C 7a_100000074090_200000210301 [0,1,0,0,0,0|1,0,1]=3 91 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 34a_100000074905_200000210301 [0,1,0,0,0,0|2,0,0]=3 92 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 7a_100000074905_200000210301 [0,1,0,0,0,0|2,0,0]=3 93 B14R2.2332 COc1ccc2cc(ccc2c1)F 34a_100009847029_200000210301 [0,1,0,0,0,0|2,0,0]=3 94 B14R2.2332 COc1ccc2cc(ccc2c1)F 7a_100009847029_200000210301 [0,1,0,0,0,0|2,0,0]=3 95 B14R2.2332 COc1ccc2cc(ccc2c1)O 271570a_203496583355_100000170439 [0,1,0,0,0,0|1,0,1]=3 96 B14R2.2332 COc1ccc2cc(ccc2n1)O 271570a_203496583355_100009817092 [0,1,0,0,0,0|2,0,1]=4 97 B14R2.2332 COc1ccc2cc(cnc2c1)Br 34a_200010153753_200000210301 [0,1,0,0,0,0|3,0,0]=4 98 B14R2.2332 COc1ccc2cc(cnc2c1)Br 7a_200010153753_200000210301 [0,1,0,0,0,0|3,0,0]=4 99 B14R2.2332 COc1ccc2nc(ccc2c1)C 34a_100000037634_200000210301 [0,1,0,0,0,0|2,0,0]=3 100 B14R2.2332 COc1ccc2nc(ccc2c1)C 7a_100000037634_200000210301 [0,1,0,0,0,0|2,0,0]=3 101 B14R2.2332 COc1ccc2nc(ccc2c1)Cl 34a_100009849208_200000210301 [0,1,0,0,0,0|2,0,0]=3 102 B14R2.2332 COc1ccc2nc(ccc2c1)Cl 7a_100009849208_200000210301 [0,1,0,0,0,0|2,0,0]=3 103 B14R2.2332 COc1ccc2nc(ccc2c1)O 271570a_203496583355_100000743015 [0,1,0,0,0,0|1,0,1]=3 104 B14R2.2332 COc1ccc2nc(cnc2c1)Cl 34a_200010664160_200000210301 [0,1,0,0,0,0|3,0,0]=4 105 B14R2.2332 COc1ccc2nc(cnc2c1)O 271570a_203496583355_100009843035 [0,1,0,0,0,0|2,0,1]=4 106 B14R2.2332 COc1ccc2oc(=O)ccc2c1 34a_100000066265_200000210301 [0,1,0,0,0,0|0,0,0]=1 107 B14R2.2332 COc1ccc2oc(=O)ccc2c1 7a_100000066265_200000210301 [0,1,0,0,0,0|0,0,0]=1 108 B14R2.2332 COc1cnc2cc(ccc2c1)F 34a_100012184162_200000210301 [0,1,0,0,0,0|3,0,0]=4 109 B14R2.2332 COc1cnc2cc(ccc2c1)F 7a_100012184162_200000210301 [0,1,0,0,0,0|3,0,0]=4 110 B14R2.2332 CSc1ccc2[nH]c(=O)ccc2c1 62a_200000210301_100011934725 [0,1,0,0,0,0|1,0,0]=2 111 B14R2.2332 CSc1ccc2[nH]c(=O)cnc2c1 62a_200000210301_100010209493 [0,1,0,0,0,0|2,0,0]=3 112 B14R2.2332 CSc1ccc2c(c1)CCC(=O)C2 62a_100000753102_200000210301 [0,1,0,0,0,0|1,0,2]=4 113 B14R2.2332 CSc1ccc2c(c1)CCC(=O)C2 62a_200000210301_100000753102 [0,1,0,0,0,0|1,0,2]=4 114 B14R2.2332 CSc1ccc2c(c1)CCC(=O)N2 62a_100000754843_200000210301 [0,1,0,0,0,0|1,0,2]=4 115 B14R2.2332 CSc1ccc2c(c1)CCC(=O)N2 62a_200000210301_100000754843 [0,1,0,0,0,0|1,0,2]=4 116 B14R2.2332 CSc1ccc2c(c1)CCC(=O)O2 62a_100010179853_200000210301 [0,1,0,0,0,0|0,0,2]=3 117 B14R2.2332 CSc1ccc2c(c1)CCC(=O)O2 62a_200000210301_100010179853 [0,1,0,0,0,0|0,0,2]=3 118 B14R2.2332 CSc1ccc2c(c1)CNC(=O)C2 62a_100010174877_200000210301 [0,1,0,0,0,0|2,0,1]=4 119 B14R2.2332 CSc1ccc2c(c1)CNC(=O)N2 62a_200000210301_100010171468 [0,1,0,0,0,0|2,0,1]=4 120 B14R2.2332 CSc1ccc2c(c1)NCC(=O)N2 62a_200000210301_100000693460 [0,1,0,0,0,0|2,0,1]=4 121 B14R2.2332 CSc1ccc2c[n+](ccc2c1)C 62a_200000210301_100015191232 [0,1,0,0,0,0|2,1,0]=4 122 B14R2.2332 CSc1ccc2cc(ccc2c1)Br 62a_100012344972_200000210301 [0,1,0,0,0,0|2,0,0]=3 123 B14R2.2332 CSc1ccc2cc(ccc2c1)Br 62a_200000210301_100012344972 [0,1,0,0,0,0|2,0,0]=3 124 B14R2.2332 CSc1ccc2cc(ccc2c1)F 62a_100009817052_200000210301 [0,1,0,0,0,0|2,0,0]=3 125 B14R2.2332 CSc1ccc2cc(ccc2c1)F 62a_200000210301_100009817052 [0,1,0,0,0,0|2,0,0]=3 126 B14R2.2332 CSc1ccc2cc(ccc2c1)N 62a_100000185457_200000210301 [0,1,0,0,0,0|2,0,0]=3 127 B14R2.2332 CSc1ccc2cc(ccc2c1)N 62a_200000210301_100000185457 [0,1,0,0,0,0|2,0,0]=3 128 B14R2.2332 CSc1ccc2cc(ccc2c1)O 62a_200000210301_100000185455 [0,1,0,0,0,0|1,0,1]=3 129 B14R2.2332 CSc1ccc2cc(ccc2n1)C 62a_200000181977_200000210301 [0,1,0,0,0,0|1,1,0]=3 130 B14R2.2332 CSc1ccc2cc(ccc2n1)C 62a_200000210301_100011865911 [0,1,0,0,0,0|1,1,0]=3 131 B14R2.2332 CSc1ccc2cc(ccc2n1)F 62a_200000210301_100011998705 [0,1,0,0,0,0|2,1,0]=4 132 B14R2.2332 CSc1ccc2cc(ccc2n1)F 62a_200012355665_200000210301 [0,1,0,0,0,0|2,1,0]=4 133 B14R2.2332 CSc1ccc2cc(ccc2n1)O 62a_200000210301_100009849208 [0,1,0,0,0,0|2,0,1]=4 134 B14R2.2332 CSc1ccc2cc(cnc2c1)Br 62a_200000210301_200015509644 [0,1,0,0,0,0|3,0,0]=4 135 B14R2.2332 CSc1ccc2cc(cnc2c1)Br 62a_200015509644_200000210301 [0,1,0,0,0,0|3,0,0]=4 136 B14R2.2332 CSc1ccc2cc(cnc2c1)C 62a_200000210301_100010751441 [0,1,0,0,0,0|2,1,0]=4 137 B14R2.2332 CSc1ccc2cc(cnc2c1)F 62a_100010751466_200000210301 [0,1,0,0,0,0|3,0,0]=4 138 B14R2.2332 CSc1ccc2cc(cnc2c1)F 62a_200000210301_100010751466 [0,1,0,0,0,0|3,0,0]=4 139 B14R2.2332 CSc1ccc2cc(cnc2c1)N 62a_100010142226_200000210301 [0,1,0,0,0,0|3,0,0]=4 140 B14R2.2332 CSc1ccc2cc(cnc2c1)N 62a_200000210301_100010142226 [0,1,0,0,0,0|3,0,0]=4 141 B14R2.2332 CSc1ccc2cc(ncc2c1)N 62a_100010232990_200000210301 [0,1,0,0,0,0|3,0,0]=4 142 B14R2.2332 CSc1ccc2cc(ncc2c1)N 62a_200000210301_100010232990 [0,1,0,0,0,0|3,0,0]=4 143 B14R2.2332 CSc1ccc2nc(ccc2c1)C 62a_100000686635_200000210301 [0,1,0,0,0,0|2,0,0]=3 144 B14R2.2332 CSc1ccc2nc(ccc2c1)C 62a_200000210301_100000686635 [0,1,0,0,0,0|2,0,0]=3 145 B14R2.2332 CSc1ccc2nc(ccc2c1)Cl 62a_200000210301_200012034268 [0,1,0,0,0,0|2,0,0]=3 146 B14R2.2332 CSc1ccc2nc(ccc2c1)N 62a_100011934619_200000210301 [0,1,0,0,0,0|2,0,0]=3 147 B14R2.2332 CSc1ccc2nc(ccc2n1)C 62a_200000210301_200009884078 [0,1,0,0,0,0|2,1,0]=4 148 B14R2.2332 CSc1ccc2nc(ncc2c1)N 62a_100010138702_200000210301 [0,1,0,0,0,0|3,0,0]=4 149 B14R2.2332 CSc1ccc2nc(ncc2c1)N 62a_200000210301_100010138702 [0,1,0,0,0,0|3,0,0]=4 150 B14R2.2332 CSc1ccc2oc(=O)ccc2c1 62a_200000210301_100009999946 [0,1,0,0,0,0|0,0,0]=1 151 B14R2.2332 CSc1cnc2[nH]c(=O)cnc2c1 62a_200000210301_200010159638 [0,1,0,0,0,0|3,0,0]=4 152 B14R2.2332 CSc1cnc2cc(ccc2c1)Cl 62a_100015716233_200000210301 [0,1,0,0,0,0|3,0,0]=4 153 B14R2.2332 CSc1cnc2cc(ccc2c1)Cl 62a_200000210301_100015716233 [0,1,0,0,0,0|3,0,0]=4 154 B14R2.2332 CSc1cnc2cc(ccc2c1)N 62a_200000210301_200010264087 [0,1,0,0,0,0|3,0,0]=4 155 B14R2.2332 CSc1cnc2cc(ccc2c1)N 62a_200010264087_200000210301 [0,1,0,0,0,0|3,0,0]=4 156 B14R2.2332 CSc1cnc2cc(ccc2c1)O 62a_200000210301_200010153753 [0,1,0,0,0,0|2,0,1]=4 157 B14R2.2332 CSc1cnc2nc(ccc2c1)N 62a_100010214896_200000210301 [0,1,0,0,0,0|3,0,0]=4 158 B14R2.2332 CSc1cnc2nc(ccc2c1)N 62a_200000210301_100010214896 [0,1,0,0,0,0|3,0,0]=4 159 B14R2.2332 CSc1cnc2nc(ccc2c1)O 62a_200000210301_100009814606 [0,1,0,0,0,0|2,0,1]=4 160 B14R2.2332 C[n+]1ccc2cc(ccc2c1)S[13CH3] 62a_200025704644_100015191232 [0,1,0,0,0,0|2,1,0]=4 161 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 34a_100000074090_200025704644 [0,1,0,0,0,0|1,0,1]=3 162 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 7a_100000074090_200025704644 [0,1,0,0,0,0|1,0,1]=3 163 B14R2.2332 Cc1ccc2cc(ccc2n1)N[13CH3] 34a_100011216442_200025704644 [0,1,0,0,0,0|2,0,0]=3 164 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 34a_100000037634_200025704644 [0,1,0,0,0,0|2,0,0]=3 165 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 7a_100000037634_200025704644 [0,1,0,0,0,0|2,0,0]=3 166 B14R2.2332 Cc1ccc2cc(ccc2n1)S[13CH3] 62a_100000686635_200025704644 [0,1,0,0,0,0|2,0,0]=3 167 B14R2.2332 Cc1ccc2cc(ccc2n1)S[13CH3] 62a_200025704644_100000686635 [0,1,0,0,0,0|2,0,0]=3 168 B14R2.2332 Cc1ccc2nc(ccc2c1)S[13CH3] 62a_200000181977_200025704644 [0,1,0,0,0,0|1,1,0]=3 169 B14R2.2332 Cc1ccc2nc(ccc2c1)S[13CH3] 62a_200025704644_100011865911 [0,1,0,0,0,0|1,1,0]=3 170 B14R2.2332 Cc1ccc2nc(ccc2n1)S[13CH3] 62a_200025704644_200009884078 [0,1,0,0,0,0|2,1,0]=4 171 B14R2.2332 Cc1cnc2cc(ccc2c1)S[13CH3] 62a_200025704644_100010751441 [0,1,0,0,0,0|2,1,0]=4 172 B14R2.2332 N#Cc1ccc2cc(ccc2n1)O 271570a_203496583355_200012353941 [0,1,0,0,0,0|3,0,0]=4 173 B14R2.2332 N#Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100000091635 [0,1,0,0,0,0|1,0,2]=4 174 B14R2.2332 O=Cc1ccc2cc(ccc2c1)O 271570a_203496583355_100012356508 [0,1,0,0,0,0|2,0,0]=3 175 B14R2.2332 O=Cc1ccc2cc(cnc2c1)O 271570a_203496583355_100010114372 [0,1,0,0,0,0|3,0,0]=4 176 B14R2.2332 O=Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100000087602 [0,1,0,0,0,0|1,0,2]=4 177 B14R2.2332 OCc1ccc2cc(ccc2c1)O 271570a_203496583355_100012356509 [0,1,0,0,0,0|1,0,1]=3 178 B14R2.2332 [13CH3]Nc1ccc2c(c1)CCC(=O)N2 34a_100000738032_200025704644 [0,1,0,0,0,0|1,0,2]=4 179 B14R2.2332 [13CH3]Nc1ccc2cc(ccc2c1)Br 34a_100000185457_200025704644 [0,1,0,0,0,0|2,0,0]=3 180 B14R2.2332 [13CH3]Nc1ccc2cc(ccc2c1)Br 7a_100000185457_200025704644 [0,1,0,0,0,0|2,0,0]=3 181 B14R2.2332 [13CH3]Nc1ccc2cc(cnc2c1)Br 34a_200010264087_200025704644 [0,1,0,0,0,0|3,0,0]=4 182 B14R2.2332 [13CH3]Nc1ccc2nc(cnc2c1)Cl 34a_100009885871_200025704644 [0,1,0,0,0,0|3,0,0]=4 183 B14R2.2332 [13CH3]Nc1ccc2oc(=O)ccc2c1 7a_100000008519_200025704644 [0,1,0,0,0,0|0,0,0]=1 184 B14R2.2332 [13CH3]Oc1ccc2c(c1)CCC(=O)C2 34a_100009852394_200025704644 [0,1,0,0,0,0|1,0,2]=4 185 B14R2.2332 [13CH3]Oc1ccc2c(c1)CCC(=O)C2 7a_100009852394_200025704644 [0,1,0,0,0,0|1,0,2]=4 186 B14R2.2332 [13CH3]Oc1ccc2c(c1)CCC(=O)N2 34a_100000735524_200025704644 [0,1,0,0,0,0|1,0,2]=4 187 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Br 34a_100000185455_200025704644 [0,1,0,0,0,0|2,0,0]=3 188 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Br 7a_100000185455_200025704644 [0,1,0,0,0,0|2,0,0]=3 189 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 34a_100000074905_200025704644 [0,1,0,0,0,0|2,0,0]=3 190 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 7a_100000074905_200025704644 [0,1,0,0,0,0|2,0,0]=3 191 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)F 34a_100009847029_200025704644 [0,1,0,0,0,0|2,0,0]=3 192 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)F 7a_100009847029_200025704644 [0,1,0,0,0,0|2,0,0]=3 193 B14R2.2332 [13CH3]Oc1ccc2cc(cnc2c1)Br 34a_200010153753_200025704644 [0,1,0,0,0,0|3,0,0]=4 194 B14R2.2332 [13CH3]Oc1ccc2cc(cnc2c1)Br 7a_200010153753_200025704644 [0,1,0,0,0,0|3,0,0]=4 195 B14R2.2332 [13CH3]Oc1ccc2nc(ccc2c1)Cl 34a_100009849208_200025704644 [0,1,0,0,0,0|2,0,0]=3 196 B14R2.2332 [13CH3]Oc1ccc2nc(ccc2c1)Cl 7a_100009849208_200025704644 [0,1,0,0,0,0|2,0,0]=3 197 B14R2.2332 [13CH3]Oc1ccc2nc(cnc2c1)Cl 34a_200010664160_200025704644 [0,1,0,0,0,0|3,0,0]=4 198 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 34a_100000066265_200025704644 [0,1,0,0,0,0|0,0,0]=1 199 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 7a_100000066265_200025704644 [0,1,0,0,0,0|0,0,0]=1 200 B14R2.2332 [13CH3]Oc1cnc2cc(ccc2c1)F 34a_100012184162_200025704644 [0,1,0,0,0,0|3,0,0]=4 201 B14R2.2332 [13CH3]Oc1cnc2cc(ccc2c1)F 7a_100012184162_200025704644 [0,1,0,0,0,0|3,0,0]=4 202 B14R2.2332 [13CH3]Sc1ccc2[nH]c(=O)ccc2c1 62a_200025704644_100011934725 [0,1,0,0,0,0|1,0,0]=2 203 B14R2.2332 [13CH3]Sc1ccc2[nH]c(=O)cnc2c1 62a_200025704644_100010209493 [0,1,0,0,0,0|2,0,0]=3 204 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)C2 62a_100000753102_200025704644 [0,1,0,0,0,0|1,0,2]=4 205 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)C2 62a_200025704644_100000753102 [0,1,0,0,0,0|1,0,2]=4 206 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)N2 62a_100000754843_200025704644 [0,1,0,0,0,0|1,0,2]=4 207 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)N2 62a_200025704644_100000754843 [0,1,0,0,0,0|1,0,2]=4 208 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)O2 62a_100010179853_200025704644 [0,1,0,0,0,0|0,0,2]=3 209 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)O2 62a_200025704644_100010179853 [0,1,0,0,0,0|0,0,2]=3 210 B14R2.2332 [13CH3]Sc1ccc2c(c1)CNC(=O)C2 62a_100010174877_200025704644 [0,1,0,0,0,0|2,0,1]=4 211 B14R2.2332 [13CH3]Sc1ccc2c(c1)CNC(=O)N2 62a_200025704644_100010171468 [0,1,0,0,0,0|2,0,1]=4 212 B14R2.2332 [13CH3]Sc1ccc2c(c1)NCC(=O)N2 62a_200025704644_100000693460 [0,1,0,0,0,0|2,0,1]=4 213 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)Br 62a_100012344972_200025704644 [0,1,0,0,0,0|2,0,0]=3 214 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)Br 62a_200025704644_100012344972 [0,1,0,0,0,0|2,0,0]=3 215 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)F 62a_100009817052_200025704644 [0,1,0,0,0,0|2,0,0]=3 216 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)F 62a_200025704644_100009817052 [0,1,0,0,0,0|2,0,0]=3 217 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)N 62a_100000185457_200025704644 [0,1,0,0,0,0|2,0,0]=3 218 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)N 62a_200025704644_100000185457 [0,1,0,0,0,0|2,0,0]=3 219 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)O 62a_200025704644_100000185455 [0,1,0,0,0,0|1,0,1]=3 220 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2n1)F 62a_200012355665_200025704644 [0,1,0,0,0,0|2,1,0]=4 221 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2n1)F 62a_200025704644_100011998705 [0,1,0,0,0,0|2,1,0]=4 222 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2n1)O 62a_200025704644_100009849208 [0,1,0,0,0,0|2,0,1]=4 223 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)Br 62a_200015509644_200025704644 [0,1,0,0,0,0|3,0,0]=4 224 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)Br 62a_200025704644_200015509644 [0,1,0,0,0,0|3,0,0]=4 225 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)F 62a_100010751466_200025704644 [0,1,0,0,0,0|3,0,0]=4 226 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)F 62a_200025704644_100010751466 [0,1,0,0,0,0|3,0,0]=4 227 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)N 62a_100010142226_200025704644 [0,1,0,0,0,0|3,0,0]=4 228 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)N 62a_200025704644_100010142226 [0,1,0,0,0,0|3,0,0]=4 229 B14R2.2332 [13CH3]Sc1ccc2cc(ncc2c1)N 62a_100010232990_200025704644 [0,1,0,0,0,0|3,0,0]=4 230 B14R2.2332 [13CH3]Sc1ccc2cc(ncc2c1)N 62a_200025704644_100010232990 [0,1,0,0,0,0|3,0,0]=4 231 B14R2.2332 [13CH3]Sc1ccc2nc(ccc2c1)Cl 62a_200025704644_200012034268 [0,1,0,0,0,0|2,0,0]=3 232 B14R2.2332 [13CH3]Sc1ccc2nc(ccc2c1)N 62a_100011934619_200025704644 [0,1,0,0,0,0|2,0,0]=3 233 B14R2.2332 [13CH3]Sc1ccc2nc(ncc2c1)N 62a_100010138702_200025704644 [0,1,0,0,0,0|3,0,0]=4 234 B14R2.2332 [13CH3]Sc1ccc2nc(ncc2c1)N 62a_200025704644_100010138702 [0,1,0,0,0,0|3,0,0]=4 235 B14R2.2332 [13CH3]Sc1ccc2oc(=O)ccc2c1 62a_200025704644_100009999946 [0,1,0,0,0,0|0,0,0]=1 236 B14R2.2332 [13CH3]Sc1cnc2[nH]c(=O)cnc2c1 62a_200025704644_200010159638 [0,1,0,0,0,0|3,0,0]=4 237 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)Cl 62a_100015716233_200025704644 [0,1,0,0,0,0|3,0,0]=4 238 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)Cl 62a_200025704644_100015716233 [0,1,0,0,0,0|3,0,0]=4 239 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)N 62a_200010264087_200025704644 [0,1,0,0,0,0|3,0,0]=4 240 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)N 62a_200025704644_200010264087 [0,1,0,0,0,0|3,0,0]=4 241 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)O 62a_200025704644_200010153753 [0,1,0,0,0,0|2,0,1]=4 242 B14R2.2332 [13CH3]Sc1cnc2nc(ccc2c1)N 62a_100010214896_200025704644 [0,1,0,0,0,0|3,0,0]=4 243 B14R2.2332 [13CH3]Sc1cnc2nc(ccc2c1)N 62a_200025704644_100010214896 [0,1,0,0,0,0|3,0,0]=4 244 B14R2.2332 [13CH3]Sc1cnc2nc(ccc2c1)O 62a_200025704644_100009814606 [0,1,0,0,0,0|2,0,1]=4 245 B14R2.8235 Cc1cc(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100009820897 [0,1,0,0,0,0|2,0,0]=3 246 B14R2.8235 Cc1cc(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011333642 [0,1,0,0,0,0|2,0,1]=4 247 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O 271570a_203496583355_100000689691 [0,1,0,0,0,0|3,0,0]=4 248 B14R2.8235 Cc1cc(c2cc(ccc2n1)O)N 271570a_203496583355_100000238323 [0,1,0,0,0,0|2,0,1]=4 249 B14R2.8235 Cc1cc(c2nc(ccc2c1)O)C 271570a_203496583355_200012017542 [0,1,0,0,0,0|1,0,1]=3 250 B14R2.8235 Cc1cc(nc2c1cc(cc2)F)O 271570a_203496583355_200000079853 [0,1,0,0,0,0|2,0,1]=4 251 B14R2.8235 Cc1ccc2nc(cc(c2c1)O)C 271570a_203496583355_100011333704 [0,1,0,0,0,0|2,0,0]=3 252 B14R2.8235 Cc1ccc2nc(nc(c2c1)O)C 271570a_203496583355_100013022803 [0,1,0,0,0,0|3,0,0]=4 253 B14R2.8235 O=C1Cc2ccc(cc2C(=O)N1)O 271570a_203496583355_100010161110 [0,1,0,0,0,0|3,0,0]=4 254 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011934062 [0,1,0,0,0,0|3,0,0]=4 255 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2o1)O 271570a_203496583355_200000725568 [0,1,0,0,0,0|2,0,0]=3 256 B14R2.8235 O=c1[nH]c2ccc(cc2c(=O)o1)O 271570a_203496583355_100000216498 [0,1,0,0,0,0|3,0,0]=4 257 B14R2.8235 O=c1cc(c2cc(ccc2[nH]1)O)O 271570a_203496583355_100000695641 [0,1,0,0,0,0|2,0,0]=3 258 B14R2.8235 O=c1cc(c2cc(ccc2o1)O)O 271570a_203496583355_100009814091 [0,1,0,0,0,0|1,0,0]=2 259 B14R2.8235 O=c1ccc2cc(cc(c2[nH]1)F)O 271570a_203496583355_100012034177 [0,1,0,0,0,0|2,0,0]=3 260 B14R2.8235 O=c1ccc2cc(cc(c2[nH]1)O)Cl 271570a_203496583355_200014262637 [0,1,0,0,0,0|2,0,0]=3 261 B14R2.8235 O=c1ccc2cc(cc(c2[nH]1)O)F 271570a_203496583355_200012639799 [0,1,0,0,0,0|2,0,0]=3 262 B14R2.8235 Oc1cc(c2cc(ccc2c1)O)F 271570a_203496583355_100010201084 [0,1,0,0,0,0|2,0,1]=4 263 B14R2.8239 CN1Cc2cc(ccc2OC1=O)O 271570a_203496583355_100015193643 [0,1,0,0,0,0|2,0,1]=4 264 B14R2.8239 Cc1cc2cc(ccc2nc1N)O 271570a_203496583355_100011830096 [0,1,0,0,0,0|3,0,0]=4 265 B14R2.8239 O=c1[nH]c2ccc(cc2[nH]c1=O)O 271570a_203496583355_100011221361 [0,1,0,0,0,0|3,0,0]=4 266 B14R2.8239 Oc1ccc2cc(c(cc2c1)O)O 271570a_203496583355_100010179872 [0,1,0,0,0,0|2,0,1]=4 267 B14R2.29369 Cc1ccc2c(c(ccc2n1)F)O 271570a_203496583355_100010730238 [0,1,0,0,0,0|3,0,0]=4 268 B14R2.29369 Cc1ccc2c(c(ccc2n1)O)O 271570a_203496583355_100010269489 [0,1,0,0,0,0|2,0,1]=4 269 B14R2.29369 Cn1ccc2cc(ccc2c1=O)O 271570a_203496583355_100010246303 [0,1,0,0,0,0|2,0,1]=4 270 B14R2.29369 O=C1C=Cc2cc(ccc2C1=O)O 271570a_203496583355_100009812793 [0,1,0,0,0,0|2,0,0]=3 271 B14R2.29369 Oc1ccc2c(c(ccc2c1)O)F 271570a_203496583355_100010730138 [0,1,0,0,0,0|2,0,1]=4 272 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [0,0,1,0,0,0|1,0,2]=4 273 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,0,1,0,0,0|2,0,0]=3 274 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,0,1,0,0,0|1,0,0]=2 275 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,0,1,0,0,0|2,0,0]=3 276 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,0,1,0,0,0|2,0,0]=3 277 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,0,1,0,0,0|2,0,0]=3 278 B12R1.49 C=CC(=O)Cc1ccc(cn1)Br 1458a_100000185746_100000702658 [0,0,1,0,0,0|3,0,0]=4 279 B12R1.49 C=CC(=O)Cc1ccc(cn1)C 1458a_100000185746_100000691093 [0,0,1,0,0,0|2,0,0]=3 280 B12R1.49 C=CC(=O)Cc1ccc(cn1)Cl 1458a_100000185746_100012066911 [0,0,1,0,0,0|3,0,0]=4 281 B12R1.49 C=CC(=O)Cc1ccc(cn1)F 1458a_100000185746_100000703193 [0,0,1,0,0,0|3,0,0]=4 282 B12R1.49 C=CC(=O)Cc1ccc(nc1)Br 1458a_100000185746_100009831999 [0,0,1,0,0,0|3,0,0]=4 283 B12R1.49 C=CC(=O)Cc1ccc(nc1)C 1458a_100000185746_100016987292 [0,0,1,0,0,0|2,0,0]=3 284 B12R1.49 C=CC(=O)Cc1ccc(nc1)Cl 1458a_100000185746_100000735431 [0,0,1,0,0,0|3,0,0]=4 285 B12R1.49 C=CC(=O)Cc1ccc(nc1)F 1458a_100000185746_100009820150 [0,0,1,0,0,0|3,0,0]=4 286 B12R1.49 C=CC(=O)Cc1cnc(cn1)C 1458a_100000185746_100000752025 [0,0,1,0,0,0|3,0,0]=4 287 B12R1.49 C=CC(=O)Cc1ncc(cn1)C 1458a_100000185746_100000685645 [0,0,1,0,0,0|3,0,0]=4 288 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,0,1,0,0,0|2,0,0]=3 289 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,0,1,0,0,0|2,0,0]=3 290 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,0,1,0,0,0|1,0,0]=2 291 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,0,1,0,0,0|1,0,0]=2 292 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,0,1,0,0,0|2,0,0]=3 293 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,0,1,0,0,0|2,0,0]=3 294 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,0,1,0,0,0|2,0,0]=3 295 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,0,1,0,0,0|2,0,0]=3 296 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,0,1,0,0,0|2,0,0]=3 297 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,0,1,0,0,0|2,0,0]=3 298 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,0,1,0,0,0|2,0,0]=3 299 B12R1.49 C=CC(C)Sc1ccc(=O)[nH]c1 62a_100011215867_100000212171 [0,0,1,0,0,0|2,0,1]=4 300 B12R1.49 C=CC(C)Sc1ccc(cc1)C 62a_100011215867_100000186775 [0,0,1,0,0,0|1,1,1]=4 301 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,0,1,0,0,0|1,0,2]=4 302 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,0,1,0,0,0|1,0,2]=4 303 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [0,0,1,0,0,0|1,0,2]=4 304 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [0,0,1,0,0,0|1,0,2]=4 305 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [0,0,1,0,0,0|1,0,2]=4 306 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [0,0,1,0,0,0|1,0,2]=4 307 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,0,1,0,0,0|1,0,2]=4 308 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,0,1,0,0,0|2,0,1]=4 309 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,0,1,0,0,0|2,0,1]=4 310 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,0,1,0,0,0|2,0,1]=4 311 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,0,1,0,0,0|2,0,1]=4 312 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [0,0,1,0,0,0|2,0,1]=4 313 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,0,1,0,0,0|2,0,1]=4 314 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,0,1,0,0,0|2,0,1]=4 315 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,0,1,0,0,0|2,0,1]=4 316 B12R1.112 C=Cc1cc(ccc1OCC)C 271570a_100011290941_200000230997 [0,0,1,0,0,0|1,0,1]=3 317 B12R1.112 C=Cc1cc(ccc1OCC)F 271570a_100011290941_100000171695 [0,0,1,0,0,0|2,0,1]=4 318 B12R1.112 CC=Cc1ccc(=O)[nH]c1C#N 271570a_100016259895_100010559384 [0,0,1,0,0,0|2,0,1]=4 319 B12R1.112 CC=Cc1ccc(cc1C=O)Br 271570a_100016259895_100010185651 [0,0,1,0,0,0|3,0,0]=4 320 B12R1.112 CC=Cc1ccc(cc1C=O)C 271570a_100016259895_100011551863 [0,0,1,0,0,0|3,0,0]=4 321 B12R1.112 CC=Cc1ccc(cc1C=O)Cl 271570a_100016259895_100010254386 [0,0,1,0,0,0|3,0,0]=4 322 B12R1.112 CC=Cc1ccc(cc1C=O)F 271570a_100016259895_100011218309 [0,0,1,0,0,0|3,0,0]=4 323 B12R1.112 CC=Cc1ccc(cc1C=O)O 271570a_100016259895_100000690577 [0,0,1,0,0,0|2,0,1]=4 324 B12R1.112 CC=Cc1ccc(nc1C=O)C 271570a_100016259895_100010173661 [0,0,1,0,0,0|3,0,0]=4 325 B12R1.226 C=C(C)COc1cccc(=O)[nH]1 34a_100000033347_100000748629 [0,0,1,0,0,0|2,0,1]=4 326 B12R1.226 C=C(C)CSc1cccc(=O)[nH]1 62a_100000748629_100000752884 [0,0,1,0,0,0|2,0,1]=4 327 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [0,0,1,0,0,0|2,0,0]=3 328 B12R1.226 CC(=O)C#Cc1cccc(c1)C 1458a_100011892726_200000210301 [0,0,1,0,0,0|1,0,2]=4 329 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [0,0,1,0,0,0|2,0,0]=3 330 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,0,1,0,0,0|1,0,0]=2 331 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [0,0,1,0,0,0|2,0,0]=3 332 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [0,0,1,0,0,0|2,0,0]=3 333 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [0,0,1,0,0,0|2,0,0]=3 334 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,0,1,0,0,0|1,0,2]=4 335 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,0,1,0,0,0|1,0,2]=4 336 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,0,1,0,0,0|2,0,1]=4 337 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,0,1,0,0,0|2,0,1]=4 338 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,0,1,0,0,0|2,0,1]=4 339 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,0,1,0,0,0|2,0,1]=4 340 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,0,1,0,0,0|2,0,1]=4 341 B12R1.226 CC(=O)NNc1cccc(c1)C 22a_100000681630_100000070787 [0,0,1,0,0,0|3,0,0]=4 342 B12R1.226 CC(C)C=Cc1cccc(=O)[nH]1 271570a_100016257149_100000761760 [0,0,1,0,0,0|1,0,2]=4 343 B12R1.226 CC(O)C=Cc1ccc[n+](c1)C 271570a_200011019289_100009996589 [0,0,1,0,0,0|2,0,1]=4 344 B12R1.226 CC(O)C=Cc1cccc(=O)[nH]1 271570a_200011019289_100000761760 [0,0,1,0,0,0|2,0,1]=4 345 B12R1.226 CC(O)C=Cc1cccc(c1)Br 271570a_200011019289_100000691529 [0,0,1,0,0,0|2,0,1]=4 346 B12R1.226 CC(O)C=Cc1cccc(c1)Cl 271570a_200011019289_100000699651 [0,0,1,0,0,0|2,0,1]=4 347 B12R1.226 CC(O)C=Cc1cccc(c1)F 271570a_200011019289_100000685547 [0,0,1,0,0,0|2,0,1]=4 348 B12R1.226 CC(O)C=Cc1cccc(c1)N 271570a_200011019289_100000210019 [0,0,1,0,0,0|2,0,1]=4 349 B12R1.226 CC(O)C=Cc1cccc(c1)O 271570a_200011019289_100000211634 [0,0,1,0,0,0|2,0,1]=4 350 B12R1.226 CC(O)C=Cc1cccc(c1)[S] 271570a_200011019289_114929384022 [0,0,1,0,0,0|2,0,1]=4 351 B12R1.226 Cc1cc(ccn1)C=CC(C)O 271570a_200011019289_100000758586 [0,0,1,0,0,0|2,0,1]=4 352 B12R1.226 Cc1cccc(c1)C#CC(=O)[13CH3] 1458a_100011892726_200025704644 [0,0,1,0,0,0|1,0,2]=4 353 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,0,1,0,0,0|1,0,0]=2 354 B12R1.226 Cc1cccc(c1)C=CC(C)C 271570a_100016257149_100011215228 [0,0,1,0,0,0|2,0,1]=4 355 B12R1.226 Cc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215228 [0,0,1,0,0,0|1,0,1]=3 356 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,0,1,0,0,0|1,0,2]=4 357 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,0,1,0,0,0|2,0,1]=4 358 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,0,1,0,0,0|2,0,1]=4 359 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,0,1,0,0,0|1,0,2]=4 360 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,0,1,0,0,0|2,0,1]=4 361 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,0,1,0,0,0|2,0,1]=4 362 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,0,1,0,0,0|2,0,1]=4 363 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,0,1,0,0,0|1,0,2]=4 364 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,0,1,0,0,0|2,0,1]=4 365 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,0,1,0,0,0|2,0,1]=4 366 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,0,1,0,0,0|1,0,2]=4 367 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,0,1,0,0,0|1,0,2]=4 368 B12R1.226 Cc1cccc(n1)C=CC(C)O 271570a_200011019289_100000742759 [0,0,1,0,0,0|2,0,1]=4 369 B12R1.226 Cc1ccnc(c1)C=CC(C)O 271570a_200011019289_100000750283 [0,0,1,0,0,0|2,0,1]=4 370 B12R1.226 Cc1cncc(c1)C=CC(C)O 271570a_200011019289_100000760492 [0,0,1,0,0,0|2,0,1]=4 371 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [0,0,1,0,0,0|2,0,0]=3 372 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [0,0,1,0,0,0|2,0,0]=3 373 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [0,0,1,0,0,0|2,0,0]=3 374 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [0,0,1,0,0,0|2,0,0]=3 375 B12R1.233 CC(=Cc1ccc(=O)[nH]c1N)C 271570a_100102525489_100009884077 [0,0,1,0,0,0|2,0,1]=4 376 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,0,1,0,0,0|1,0,2]=4 377 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,0,1,0,0,0|1,0,2]=4 378 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [0,0,1,0,0,0|2,0,1]=4 379 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [0,0,1,0,0,0|2,0,1]=4 380 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [0,0,1,0,0,0|2,0,1]=4 381 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 11a_100000210942_100015343762 [0,0,1,0,0,0|2,0,1]=4 382 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100015343762 [0,0,1,0,0,0|2,0,1]=4 383 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [0,0,1,0,0,0|1,0,2]=4 384 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [0,0,1,0,0,0|1,0,2]=4 385 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [0,0,1,0,0,0|1,0,2]=4 386 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [0,0,1,0,0,0|1,0,2]=4 387 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 11a_100000210522_100015343762 [0,0,1,0,0,0|2,0,1]=4 388 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100015343762 [0,0,1,0,0,0|2,0,1]=4 389 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000070787 [0,0,1,0,0,0|2,0,1]=4 390 B12R1.233 CC(=O)Nc1ccc(cc1F)C 11a_100000211023_100015343762 [0,0,1,0,0,0|2,0,1]=4 391 B12R1.233 CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100015343762 [0,0,1,0,0,0|2,0,1]=4 392 B12R1.233 CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000070787 [0,0,1,0,0,0|2,0,1]=4 393 B12R1.233 CC(=O)Nc1ccc(cc1F)C 527a_100000211023_100103153847 [0,0,1,0,0,0|2,0,1]=4 394 B12R1.233 CC(=O)Nc1ccc(cc1I)C 11a_100011356834_100015343762 [0,0,1,0,0,0|2,0,1]=4 395 B12R1.233 CC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100015343762 [0,0,1,0,0,0|2,0,1]=4 396 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [0,0,1,0,0,0|2,0,1]=4 397 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [0,0,1,0,0,0|2,0,1]=4 398 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [0,0,1,0,0,0|2,0,1]=4 399 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [0,0,1,0,0,0|2,0,1]=4 400 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,0,1,0,0,0|1,0,2]=4 401 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [0,0,1,0,0,0|2,0,1]=4 402 B12R1.374 C=CCNc1cc(ccc1O)C 34a_100011215204_100015514636 [0,0,1,0,0,0|2,0,1]=4 403 B12R1.374 C=CCSc1cc(ccc1O)C 62a_100000210623_100000765521 [0,0,1,0,0,0|2,0,1]=4 404 B12R1.374 C=CCSc1cc(ccc1O)C 62a_100000765521_100000210623 [0,0,1,0,0,0|2,0,1]=4 405 B12R1.374 Cc1cc(c(cn1)O)SCC=O 62a_100009843476_200015260668 [0,0,1,0,0,0|2,0,1]=4 406 B12R1.374 Cc1cc(c(cn1)O)SCC=O 62a_200015260668_100009843476 [0,0,1,0,0,0|2,0,1]=4 407 B12R1.374 Cc1ccc(c(c1)NCC=O)Br 34a_100000745044_200009817547 [0,0,1,0,0,0|2,0,1]=4 408 B12R1.374 Cc1ccc(c(c1)NCC=O)C 2230a_100000185781_200015260668 [0,0,1,0,0,0|2,0,1]=4 409 B12R1.374 Cc1ccc(c(c1)NCC=O)C 34a_100000185781_200009817547 [0,0,1,0,0,0|2,0,1]=4 410 B12R1.374 Cc1ccc(c(c1)NCC=O)C 7a_100000185781_200015260668 [0,0,1,0,0,0|2,0,1]=4 411 B12R1.374 Cc1ccc(c(c1)NCC=O)Cl 34a_100011215360_200009817547 [0,0,1,0,0,0|2,0,1]=4 412 B12R1.374 Cc1ccc(c(c1)NCC=O)F 34a_100000211285_200009817547 [0,0,1,0,0,0|2,0,1]=4 413 B12R1.374 Cc1ccc(c(c1)NCC=O)I 34a_100011216686_200009817547 [0,0,1,0,0,0|2,0,1]=4 414 B12R1.374 Cc1ccc(c(c1)NCC=O)O 34a_100011215204_200009817547 [0,0,1,0,0,0|1,0,1]=3 415 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 34a_100012002257_200009817547 [0,0,1,0,0,0|2,0,1]=4 416 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 7a_100012002257_200015260668 [0,0,1,0,0,0|2,0,1]=4 417 B12R1.374 Cc1ccc(c(c1)OCC=O)C 34a_100000210931_200009817547 [0,0,1,0,0,0|2,0,1]=4 418 B12R1.374 Cc1ccc(c(c1)OCC=O)C 7a_100000210931_200015260668 [0,0,1,0,0,0|2,0,1]=4 419 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 34a_100000211493_200009817547 [0,0,1,0,0,0|2,0,1]=4 420 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 7a_100000211493_200015260668 [0,0,1,0,0,0|2,0,1]=4 421 B12R1.374 Cc1ccc(c(c1)OCC=O)F 34a_100000759540_200009817547 [0,0,1,0,0,0|2,0,1]=4 422 B12R1.374 Cc1ccc(c(c1)OCC=O)F 7a_100000759540_200015260668 [0,0,1,0,0,0|2,0,1]=4 423 B12R1.374 Cc1ccc(c(c1)OCC=O)N 34a_100000211527_200009817547 [0,0,1,0,0,0|2,0,1]=4 424 B12R1.374 Cc1ccc(c(c1)OCC=O)N 7a_100000211527_200015260668 [0,0,1,0,0,0|2,0,1]=4 425 B12R1.374 Cc1ccc(c(c1)SCC=O)Br 62a_100012353751_200015260668 [0,0,1,0,0,0|2,0,1]=4 426 B12R1.374 Cc1ccc(c(c1)SCC=O)Br 62a_200015260668_100012353751 [0,0,1,0,0,0|2,0,1]=4 427 B12R1.374 Cc1ccc(c(c1)SCC=O)C 62a_100000210833_200015260668 [0,0,1,0,0,0|2,0,1]=4 428 B12R1.374 Cc1ccc(c(c1)SCC=O)C 62a_200015260668_100000210833 [0,0,1,0,0,0|2,0,1]=4 429 B12R1.374 Cc1ccc(c(c1)SCC=O)Cl 62a_100012356289_200015260668 [0,0,1,0,0,0|2,0,1]=4 430 B12R1.374 Cc1ccc(c(c1)SCC=O)Cl 62a_200015260668_100012356289 [0,0,1,0,0,0|2,0,1]=4 431 B12R1.374 Cc1ccc(c(c1)SCC=O)F 62a_100000736223_200015260668 [0,0,1,0,0,0|2,0,1]=4 432 B12R1.374 Cc1ccc(c(c1)SCC=O)F 62a_200015260668_100000736223 [0,0,1,0,0,0|2,0,1]=4 433 B12R1.374 Cc1ccc(c(c1)SCC=O)N 62a_100011356834_200015260668 [0,0,1,0,0,0|2,0,1]=4 434 B12R1.374 Cc1ccc(c(c1)SCC=O)N 62a_200015260668_100011356834 [0,0,1,0,0,0|2,0,1]=4 435 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_100000765521_200015260668 [0,0,1,0,0,0|1,0,1]=3 436 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_200015260668_100000765521 [0,0,1,0,0,0|1,0,1]=3 437 B12R1.374 Cc1ccc(c(n1)SCC=O)O 62a_100000702858_200015260668 [0,0,1,0,0,0|2,0,1]=4 438 B12R1.374 Cc1ccc(c(n1)SCC=O)O 62a_200015260668_100000702858 [0,0,1,0,0,0|2,0,1]=4 439 B12R1.374 Cc1cnc(c(c1)SCC=O)O 62a_100000719714_200015260668 [0,0,1,0,0,0|2,0,1]=4 440 B12R1.374 Cc1cnc(c(c1)SCC=O)O 62a_200015260668_100000719714 [0,0,1,0,0,0|2,0,1]=4 441 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_100011534360_200015260668 [0,0,1,0,0,0|2,0,1]=4 442 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_200015260668_100011534360 [0,0,1,0,0,0|2,0,1]=4 443 B12R1.374 O=CCNc1cc(ccc1O)Br 34a_100000752626_200009817547 [0,0,1,0,0,0|2,0,1]=4 444 B12R1.374 O=CCNc1cc(ccc1O)Cl 34a_100000210500_200009817547 [0,0,1,0,0,0|2,0,1]=4 445 B12R1.374 O=CCNc1cc(ccc1O)F 34a_100000759472_200009817547 [0,0,1,0,0,0|2,0,1]=4 446 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_100012355227_200015260668 [0,0,1,0,0,0|2,0,1]=4 447 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_200015260668_100012355227 [0,0,1,0,0,0|2,0,1]=4 448 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_100011356953_200015260668 [0,0,1,0,0,0|2,0,1]=4 449 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_200015260668_100011356953 [0,0,1,0,0,0|2,0,1]=4 450 B12R1.374 O=CCSc1cc(ccc1O)F 62a_100000211999_200015260668 [0,0,1,0,0,0|2,0,1]=4 451 B12R1.374 O=CCSc1cc(ccc1O)F 62a_200015260668_100000211999 [0,0,1,0,0,0|2,0,1]=4 452 B12R1.374 O=CCSc1cc(ccc1O)O 62a_200015260668_100009813629 [0,0,1,0,0,0|2,0,1]=4 453 B12R2.606 Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100011214893 [0,0,0,0,1,0|2,0,1]=4 454 B12R2.606 Cc1cc2cc(ccc2s1)O 271570a_203496583355_100000695401 [0,0,0,0,1,0|2,0,1]=4 455 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [0,0,0,0,1,0|2,0,1]=4 456 B12R2.606 Cc1ccc2nc(sc2c1)O 271570a_203496583355_100010186437 [0,0,0,0,1,0|2,0,1]=4 457 B12R2.606 Cc1nc2cc(ccc2o1)O 271570a_203496583355_100009816932 [0,0,0,0,1,0|3,0,0]=4 458 B12R2.606 Nc1nc2cc(ccc2o1)O 271570a_203496583355_100000737949 [0,0,0,0,1,0|3,0,0]=4 459 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [0,0,0,0,1,0|2,0,1]=4 460 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [0,0,0,0,1,0|2,0,1]=4 461 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [0,0,0,0,1,0|3,0,0]=4 462 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [0,0,0,0,1,0|2,0,0]=3 463 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [0,0,0,0,1,0|2,1,0]=4 464 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [0,0,0,0,1,0|3,0,0]=4 465 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [0,0,0,0,1,0|3,0,0]=4 466 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [0,0,0,0,1,0|3,0,0]=4 467 B12R2.606 Oc1cc2cc(ccc2[nH]1)Br 271570a_203496583355_100011012855 [0,0,0,0,1,0|2,0,1]=4 468 B12R2.606 Oc1cc2cc(ccc2s1)Br 271570a_203496583355_200010198765 [0,0,0,0,1,0|1,1,1]=4 469 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [0,0,0,0,1,0|2,0,1]=4 470 B12R2.612 Cc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100000049534 [0,0,0,0,1,0|2,0,1]=4 471 B12R2.612 Cc1ccn2c(cnc2c1)O 271570a_203496583355_100011934683 [0,0,0,0,1,0|2,0,1]=4 472 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,0,0,0,1,0|2,0,1]=4 473 B12R2.612 Cn1ccc2c1ccc(c2)O 271570a_203496583355_100011202928 [0,0,0,0,1,0|2,0,1]=4 474 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,0,0,0,1,0|1,0,0]=2 475 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,0,0,0,1,0|1,0,2]=4 476 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,0,0,0,1,0|2,0,1]=4 477 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [0,0,0,0,1,0|2,0,1]=4 478 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,0,0,0,1,0|2,0,1]=4 479 B12R2.612 O=c1[nH][nH]c2c1ccc(c2)O 271570a_203496583355_100012353722 [0,0,0,0,1,0|3,0,0]=4 480 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [1,0,1,0,0,0|1,0,1]=4 481 B11R1.1 C=CCOc1ccc(cc1)Br 34a_100000185759_100015514636 [1,0,1,0,0,0|1,0,1]=4 482 B11R1.1 C=CCOc1ccc(cc1)Br 7a_100000185759_100015514636 [1,0,1,0,0,0|1,0,1]=4 483 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [1,0,1,0,0,0|0,0,1]=3 484 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [1,0,1,0,0,0|0,0,1]=3 485 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [1,0,1,0,0,0|1,0,1]=4 486 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [1,0,1,0,0,0|1,0,1]=4 487 B11R1.1 C=CCOc1ccc(cc1)F 34a_100000210339_100015514636 [1,0,1,0,0,0|1,0,1]=4 488 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [1,0,1,0,0,0|1,0,1]=4 489 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [1,0,1,0,0,0|1,0,1]=4 490 B11R1.1 C=CCOc1ccc(cc1)N 34a_100000185829_100015514636 [1,0,1,0,0,0|1,0,1]=4 491 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [1,0,1,0,0,0|1,0,1]=4 492 B11R1.1 C=CCOc1ccc(cn1)C 34a_100000759353_100015514636 [1,0,1,0,0,0|1,0,1]=4 493 B11R1.1 C=CCOc1ccc(nc1)C 34a_100000745506_100015514636 [1,0,1,0,0,0|1,0,1]=4 494 B11R1.1 C=CCOc1ccc(nc1)C 7a_100000745506_100015514636 [1,0,1,0,0,0|1,0,1]=4 495 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [1,0,1,0,0,0|0,1,1]=4 496 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [1,0,1,0,0,0|0,1,1]=4 497 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [1,0,1,0,0,0|1,0,1]=4 498 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [1,0,1,0,0,0|1,0,1]=4 499 B11R1.20 CC(=Cc1ccc(=O)[nH]c1)C 271570a_100102525489_100000212171 [1,0,1,0,0,0|1,0,1]=4 500 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,0,1,0,0,0|1,0,1]=4 501 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,0,1,0,0,0|1,0,1]=4 502 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,0,1,0,0,0|1,0,1]=4 503 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,0,1,0,0,0|1,0,1]=4 504 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,0,1,0,0,0|1,0,1]=4 505 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,0,1,0,0,0|1,0,1]=4 506 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,0,1,0,0,0|1,0,1]=4 507 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,0,1,0,0,0|1,0,1]=4 508 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,0,1,0,0,0|1,0,0]=3 509 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [1,0,1,0,0,0|2,0,0]=4 510 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [1,0,1,0,0,0|2,0,0]=4 511 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [1,0,1,0,0,0|2,0,0]=4 512 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,1,0,0,0|1,0,0]=3 513 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,1,0,0,0|1,0,0]=3 514 B11R1.37 C=Cc1cc(ccc1C#N)C 271570a_100011290941_100000693804 [1,0,1,0,0,0|1,0,1]=4 515 B11R1.37 C=Cc1cc(ccc1C=O)Br 271570a_100011290941_100010146562 [1,0,1,0,0,0|1,0,0]=3 516 B11R1.37 C=Cc1cc(ccc1C=O)C 271570a_100011290941_100000692596 [1,0,1,0,0,0|0,0,0]=2 517 B11R1.37 C=Cc1cc(ccc1C=O)F 271570a_100011290941_100000752949 [1,0,1,0,0,0|1,0,0]=3 518 B11R1.37 C=Cc1cc(ccc1C=O)O 271570a_100011290941_100011236494 [1,0,1,0,0,0|1,0,0]=3 519 B11R1.37 C=Cc1cc(ccc1NC)C 271570a_100011290941_100000221369 [1,0,1,0,0,0|1,0,1]=4 520 B11R1.37 C=Cc1cc(ccc1NN)C 271570a_100011290941_100016996181 [1,0,1,0,0,0|2,0,0]=4 521 B11R1.37 C=Cc1cc(ccc1OC)Br 271570a_100011290941_100012351588 [1,0,1,0,0,0|1,0,1]=4 522 B11R1.37 C=Cc1cc(ccc1OC)C 271570a_100011290941_100000186399 [1,0,1,0,0,0|0,0,1]=3 523 B11R1.37 C=Cc1cc(ccc1OC)Cl 271570a_100011290941_100011215930 [1,0,1,0,0,0|1,0,1]=4 524 B11R1.37 C=Cc1cc(ccc1OC)F 271570a_100011290941_100000171694 [1,0,1,0,0,0|1,0,1]=4 525 B11R1.37 C=Cc1cc(ccc1OC)N 271570a_100011290941_100000187427 [1,0,1,0,0,0|1,0,1]=4 526 B11R1.37 C=Cc1cc(ccc1OC)O 271570a_100011290941_100010084122 [1,0,1,0,0,0|1,0,1]=4 527 B11R1.37 C=Cc1cc(ccc1SC)C 271570a_100011290941_200010201864 [1,0,1,0,0,0|0,1,1]=4 528 B11R1.37 C=Cc1cc(cnc1OC)C 271570a_100011290941_100012353929 [1,0,1,0,0,0|1,0,1]=4 529 B11R1.37 C=Cc1cc(ncc1C=O)F 271570a_100011290941_100009862493 [1,0,1,0,0,0|2,0,0]=4 530 B11R1.37 C=Cc1cc(ncc1OC)C 271570a_100011290941_100010109759 [1,0,1,0,0,0|1,0,1]=4 531 B11R1.37 C=Cc1ccc(cc1C=O)C 271570a_100011290941_100011551863 [1,0,1,0,0,0|2,0,0]=4 532 B11R1.37 C=Cc1nc(ccc1C=O)C 271570a_100011290941_100000085379 [1,0,1,0,0,0|1,0,0]=3 533 B11R1.37 C=Cc1nc(ccc1C=O)F 271570a_100011290941_100009846357 [1,0,1,0,0,0|2,0,0]=4 534 B11R1.37 C=Cc1nc(ccc1OC)C 271570a_100011290941_100009820875 [1,0,1,0,0,0|1,0,1]=4 535 B11R1.37 CSc1cc(ccc1C=O)C 62a_100011935181_200000210301 [1,0,1,0,0,0|1,0,1]=4 536 B11R1.37 CSc1cc(ccc1C=O)C 62a_200000210301_100011935181 [1,0,1,0,0,0|1,0,1]=4 537 B11R1.37 Cc1ccc(c(c1)S[13CH3])C=O 62a_100011935181_200025704644 [1,0,1,0,0,0|1,0,1]=4 538 B11R1.37 Cc1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100011935181 [1,0,1,0,0,0|1,0,1]=4 539 B11R1.37 O=Cc1ccc(cc1C=O)O 271570a_203496583355_200010077131 [1,0,1,0,0,0|2,0,0]=4 540 B11R1.41 C=CCc1ccccc1C=C 271570a_100011290941_100009828059 [1,0,1,0,0,0|2,0,0]=4 541 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [1,0,1,0,0,0|1,0,1]=4 542 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [1,0,1,0,0,0|2,0,0]=4 543 B11R1.41 CC=Cc1cccnc1C=O 271570a_100016259895_100011934733 [1,0,1,0,0,0|2,0,0]=4 544 B11R1.81 CC=Cc1ccc(=O)[nH]c1N 271570a_100016259895_100009884077 [1,0,1,0,0,0|2,0,0]=4 545 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [1,0,1,0,0,0|1,0,1]=4 546 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [1,0,1,0,0,0|1,0,1]=4 547 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [1,0,1,0,0,0|1,0,1]=4 548 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [1,0,1,0,0,0|1,0,1]=4 549 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [1,0,1,0,0,0|1,0,1]=4 550 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [1,0,1,0,0,0|1,0,1]=4 551 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,1,0,0,0|1,0,0]=3 552 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,1,0,0,0|2,0,0]=4 553 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,0,1,0,0,0|2,0,0]=4 554 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,0,1,0,0,0|2,0,0]=4 555 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,1,0,0,0|1,0,1]=4 556 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,1,0,0,0|1,0,0]=3 557 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,1,0,0,0|2,0,0]=4 558 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,0,1,0,0,0|2,0,0]=4 559 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,0,1,0,0,0|2,0,0]=4 560 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [1,0,1,0,0,0|1,0,1]=4 561 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,0,1,0,0,0|0,0,2]=4 562 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [1,0,1,0,0,0|1,0,1]=4 563 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [1,0,1,0,0,0|1,0,1]=4 564 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [1,0,1,0,0,0|1,0,1]=4 565 B11R1.182 C=C=Cc1cc(ccc1Br)C 271570a_100015277604_100012353751 [1,0,1,0,0,0|1,0,1]=4 566 B11R1.182 C=C=Cc1cc(ccc1C)C 271570a_100015277604_100000210833 [1,0,1,0,0,0|1,0,1]=4 567 B11R1.182 C=C=Cc1cc(ccc1Cl)C 271570a_100015277604_100012356289 [1,0,1,0,0,0|1,0,1]=4 568 B11R1.182 C=C=Cc1cc(ccc1F)C 271570a_100015277604_100000736223 [1,0,1,0,0,0|1,0,1]=4 569 B11R1.182 C=C=Cc1cc(ccc1N)C 271570a_100015277604_100000210942 [1,0,1,0,0,0|1,0,1]=4 570 B11R1.182 C=C=Cc1cc(ccc1O)Br 271570a_100015277604_100012355227 [1,0,1,0,0,0|1,0,1]=4 571 B11R1.182 C=C=Cc1cc(ccc1O)C 271570a_100015277604_100000765521 [1,0,1,0,0,0|0,0,1]=3 572 B11R1.182 C=C=Cc1cc(ccc1O)Cl 271570a_100015277604_100011356953 [1,0,1,0,0,0|1,0,1]=4 573 B11R1.182 C=C=Cc1cc(ccc1O)F 271570a_100015277604_100000211999 [1,0,1,0,0,0|1,0,1]=4 574 B11R1.182 C=C=Cc1cc(ccc1O)N 271570a_100015277604_100011534360 [1,0,1,0,0,0|1,0,1]=4 575 B11R1.182 C=C=Cc1cc(ccc1O)O 271570a_100015277604_100009813629 [1,0,1,0,0,0|1,0,1]=4 576 B11R1.182 C=C=Cc1cc(cnc1O)C 271570a_100015277604_100000049931 [1,0,1,0,0,0|1,0,1]=4 577 B11R1.182 C=C=Cc1cc(ncc1O)C 271570a_100015277604_100009843476 [1,0,1,0,0,0|1,0,1]=4 578 B11R1.182 C=C=Cc1nc(ccc1O)C 271570a_100015277604_100000702858 [1,0,1,0,0,0|1,0,1]=4 579 B11R1.182 CC=Cc1cc(ccc1Br)C 271570a_100016259895_100012353751 [1,0,1,0,0,0|1,0,1]=4 580 B11R1.182 CC=Cc1cc(ccc1C)C 271570a_100016259895_100000210833 [1,0,1,0,0,0|1,0,1]=4 581 B11R1.182 CC=Cc1cc(ccc1Cl)C 271570a_100016259895_100012356289 [1,0,1,0,0,0|1,0,1]=4 582 B11R1.182 CC=Cc1cc(ccc1F)C 271570a_100016259895_100000736223 [1,0,1,0,0,0|1,0,1]=4 583 B11R1.182 CC=Cc1cc(ccc1N)C 271570a_100016259895_100000210942 [1,0,1,0,0,0|1,0,1]=4 584 B11R1.182 CC=Cc1cc(ccc1O)Br 271570a_100016259895_100012355227 [1,0,1,0,0,0|1,0,1]=4 585 B11R1.182 CC=Cc1cc(ccc1O)C 271570a_100016259895_100000765521 [1,0,1,0,0,0|0,0,1]=3 586 B11R1.182 CC=Cc1cc(ccc1O)Cl 271570a_100016259895_100011356953 [1,0,1,0,0,0|1,0,1]=4 587 B11R1.182 CC=Cc1cc(ccc1O)F 271570a_100016259895_100000211999 [1,0,1,0,0,0|1,0,1]=4 588 B11R1.182 CC=Cc1cc(ccc1O)N 271570a_100016259895_100011534360 [1,0,1,0,0,0|1,0,1]=4 589 B11R1.182 CC=Cc1cc(ccc1O)O 271570a_100016259895_100009813629 [1,0,1,0,0,0|1,0,1]=4 590 B11R1.182 CC=Cc1cc(cnc1O)C 271570a_100016259895_100000049931 [1,0,1,0,0,0|1,0,1]=4 591 B11R1.182 CC=Cc1cc(ncc1O)C 271570a_100016259895_100009843476 [1,0,1,0,0,0|1,0,1]=4 592 B11R1.182 CC=Cc1nc(ccc1O)C 271570a_100016259895_100000702858 [1,0,1,0,0,0|1,0,1]=4 593 B13R1.5 C#Cc1ccc(cc1)CC(=O)C=C 1458a_100000185746_100000140223 [0,1,1,0,0,0|1,0,1]=4 594 B13R1.5 C#Cc1ccc(cc1)NC(=O)C=C 1626a_100011215031_100000185746 [0,1,1,0,0,0|1,0,1]=4 595 B13R1.5 C#Cc1ccc(cc1)NC(=O)C=C 22a_100011215031_100000185746 [0,1,1,0,0,0|1,0,1]=4 596 B13R1.5 C=CC(=O)Cc1ccc(cc1)C#N 1458a_100000185746_100000184898 [0,1,1,0,0,0|1,0,1]=4 597 B13R1.5 C=CC(=O)Cc1ccc(cc1)C=C 1458a_100000185746_100000034074 [0,1,1,0,0,0|1,0,1]=4 598 B13R1.5 C=CC(=O)Cc1ccc(cc1)C=O 1458a_100000185746_100000075337 [0,1,1,0,0,0|1,0,1]=4 599 B13R1.5 C=CC(=O)Cc1ccc(cc1)CC 1458a_100000185746_100000747183 [0,1,1,0,0,0|1,0,0]=3 600 B13R1.5 C=CC(=O)Cc1ccc(cc1)CO 1458a_100000185746_100000067286 [0,1,1,0,0,0|1,0,0]=3 601 B13R1.5 C=CC(=O)Cc1ccc(cc1)SC 1458a_100000185746_100000181263 [0,1,1,0,0,0|1,0,0]=3 602 B13R1.5 C=CC(=O)Cc1ccc(cn1)OC 1458a_100000185746_200000757186 [0,1,1,0,0,0|2,0,0]=4 603 B13R1.5 C=CC(=O)Cc1ccc(nc1)OC 1458a_100000185746_100020631284 [0,1,1,0,0,0|2,0,0]=4 604 B13R1.5 C=CC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100000185746 [0,1,1,0,0,0|1,0,1]=4 605 B13R1.5 C=CC(=O)Nc1ccc(cc1)C=C 1626a_100011218248_100000185746 [0,1,1,0,0,0|1,0,1]=4 606 B13R1.5 C=CC(=O)Nc1ccc(cc1)C=C 22a_100011218248_100000185746 [0,1,1,0,0,0|1,0,1]=4 607 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000185746 [0,1,1,0,0,0|1,0,0]=3 608 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000185746 [0,1,1,0,0,0|1,0,0]=3 609 B13R1.5 C=CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000185746 [0,1,1,0,0,0|1,0,0]=3 610 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000185746 [0,1,1,0,0,0|1,0,0]=3 611 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000185746 [0,1,1,0,0,0|1,0,0]=3 612 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 34a_100011235904_200000210301 [0,1,1,0,0,0|1,0,0]=3 613 B13R1.5 C=CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235904_200025704644 [0,1,1,0,0,0|1,0,0]=3 614 B13R1.5 C=CC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000185746 [0,1,1,0,0,0|1,0,0]=3 615 B13R1.5 CCC(=O)Oc1ccc(cc1)SC 62a_200000210301_200009811598 [0,1,1,0,0,0|0,0,2]=4 616 B13R1.5 CCC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009811598 [0,1,1,0,0,0|0,0,2]=4 617 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210623 [0,1,1,0,0,0|2,0,0]=4 618 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Br 1458a_100000210193_100000189115 [0,1,1,0,0,0|2,0,0]=4 619 B13R1.19 C=CCC(=O)Cc1ccc(cc1)C 1458a_100000210193_100000210814 [0,1,1,0,0,0|1,0,0]=3 620 B13R1.19 C=CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210623 [0,1,1,0,0,0|1,0,0]=3 621 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210193_100000694040 [0,1,1,0,0,0|2,0,0]=4 622 B13R1.19 C=CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210623 [0,1,1,0,0,0|2,0,0]=4 623 B13R1.19 C=CCC(=O)Cc1ccc(cc1)F 1458a_100000210193_100000198546 [0,1,1,0,0,0|2,0,0]=4 624 B13R1.19 C=CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210623 [0,1,1,0,0,0|2,0,0]=4 625 B13R1.19 C=CCC(=O)Cc1ccc(cc1)I 1458a_100000210193_100000189116 [0,1,1,0,0,0|2,0,0]=4 626 B13R1.19 C=CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210623 [0,1,1,0,0,0|2,0,0]=4 627 B13R1.19 C=CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210623 [0,1,1,0,0,0|2,0,0]=4 628 B13R1.19 C=CCC(=O)Cc1ccc(cn1)C 1458a_100000210193_100000691093 [0,1,1,0,0,0|2,0,0]=4 629 B13R1.19 C=CCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210623 [0,1,1,0,0,0|2,0,0]=4 630 B13R1.19 C=CCC(=O)Cc1ccc(nc1)C 1458a_100000210193_100016987292 [0,1,1,0,0,0|2,0,0]=4 631 B13R1.19 C=CCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210623 [0,1,1,0,0,0|2,0,0]=4 632 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210193 [0,1,1,0,0,0|2,0,0]=4 633 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210193 [0,1,1,0,0,0|2,0,0]=4 634 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210193 [0,1,1,0,0,0|2,0,0]=4 635 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210193 [0,1,1,0,0,0|2,0,0]=4 636 B13R1.19 C=CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210193 [0,1,1,0,0,0|1,0,0]=3 637 B13R1.19 C=CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210193 [0,1,1,0,0,0|1,0,0]=3 638 B13R1.19 C=CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210193 [0,1,1,0,0,0|1,0,0]=3 639 B13R1.19 C=CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210193 [0,1,1,0,0,0|1,0,0]=3 640 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210193 [0,1,1,0,0,0|2,0,0]=4 641 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210193 [0,1,1,0,0,0|2,0,0]=4 642 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210193 [0,1,1,0,0,0|2,0,0]=4 643 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210193 [0,1,1,0,0,0|2,0,0]=4 644 B13R1.19 C=CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210193 [0,1,1,0,0,0|2,0,0]=4 645 B13R1.19 C=CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210193 [0,1,1,0,0,0|2,0,0]=4 646 B13R1.19 C=CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210193 [0,1,1,0,0,0|2,0,0]=4 647 B13R1.19 C=CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210193 [0,1,1,0,0,0|2,0,0]=4 648 B13R1.19 C=CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210193 [0,1,1,0,0,0|2,0,0]=4 649 B13R1.19 C=CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210193 [0,1,1,0,0,0|2,0,0]=4 650 B13R1.19 C=CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210193 [0,1,1,0,0,0|2,0,0]=4 651 B13R1.19 C=CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210193 [0,1,1,0,0,0|2,0,0]=4 652 B13R1.19 C=CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210193 [0,1,1,0,0,0|2,0,0]=4 653 B13R1.19 CC=CC(=O)Cc1ccc(cc1)Br 1458a_100000210699_100000189115 [0,1,1,0,0,0|2,0,0]=4 654 B13R1.19 CC=CC(=O)Cc1ccc(cc1)C 1458a_100000210699_100000210814 [0,1,1,0,0,0|1,0,0]=3 655 B13R1.19 CC=CC(=O)Cc1ccc(cc1)Cl 1458a_100000210699_100000694040 [0,1,1,0,0,0|2,0,0]=4 656 B13R1.19 CC=CC(=O)Cc1ccc(cc1)F 1458a_100000210699_100000198546 [0,1,1,0,0,0|2,0,0]=4 657 B13R1.19 CC=CC(=O)Cc1ccc(cc1)I 1458a_100000210699_100000189116 [0,1,1,0,0,0|2,0,0]=4 658 B13R1.19 CC=CC(=O)Cc1ccc(cn1)C 1458a_100000210699_100000691093 [0,1,1,0,0,0|2,0,0]=4 659 B13R1.19 CC=CC(=O)Cc1ccc(nc1)C 1458a_100000210699_100016987292 [0,1,1,0,0,0|2,0,0]=4 660 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210699 [0,1,1,0,0,0|2,0,0]=4 661 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210699 [0,1,1,0,0,0|2,0,0]=4 662 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210699 [0,1,1,0,0,0|2,0,0]=4 663 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210699 [0,1,1,0,0,0|1,0,0]=3 664 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210699 [0,1,1,0,0,0|1,0,0]=3 665 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210699 [0,1,1,0,0,0|1,0,0]=3 666 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210699 [0,1,1,0,0,0|2,0,0]=4 667 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210699 [0,1,1,0,0,0|2,0,0]=4 668 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210699 [0,1,1,0,0,0|2,0,0]=4 669 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210699 [0,1,1,0,0,0|2,0,0]=4 670 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210699 [0,1,1,0,0,0|2,0,0]=4 671 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210699 [0,1,1,0,0,0|2,0,0]=4 672 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210699 [0,1,1,0,0,0|2,0,0]=4 673 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210699 [0,1,1,0,0,0|2,0,0]=4 674 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210699 [0,1,1,0,0,0|2,0,0]=4 675 B13R1.19 CC=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210699 [0,1,1,0,0,0|2,0,0]=4 676 B13R1.19 Cc1ccc(cc1)CC(=O)C=CBr 1458a_100016273825_100000210814 [0,1,1,0,0,0|1,0,0]=3 677 B13R1.19 Cc1ccc(cc1)CC(=O)C=CCl 1458a_200016279998_100000210814 [0,1,1,0,0,0|1,0,0]=3 678 B13R1.19 Cc1ccc(cc1)CC(=O)C=CI 1458a_100016256311_100000210814 [0,1,1,0,0,0|1,0,0]=3 679 B13R1.19 Cc1ccc(cc1)NC(=O)C=CBr 1626a_100000124888_100016273825 [0,1,1,0,0,0|1,0,0]=3 680 B13R1.19 Cc1ccc(cc1)NC(=O)C=CCl 11a_100000124888_200016279998 [0,1,1,0,0,0|1,0,0]=3 681 B13R1.19 Cc1ccc(cc1)NC(=O)C=CCl 1626a_100000124888_200016279998 [0,1,1,0,0,0|1,0,0]=3 682 B13R1.19 Cc1ccc(cc1)NC(=O)C=CI 1626a_100000124888_100016256311 [0,1,1,0,0,0|1,0,0]=3 683 B13R1.19 Cc1ccc(cn1)CC(=O)C=CBr 1458a_100016273825_100016987292 [0,1,1,0,0,0|2,0,0]=4 684 B13R1.19 Cc1ccc(cn1)CC(=O)C=CCl 1458a_200016279998_100016987292 [0,1,1,0,0,0|2,0,0]=4 685 B13R1.19 Cc1ccc(cn1)CC(=O)C=CI 1458a_100016256311_100016987292 [0,1,1,0,0,0|2,0,0]=4 686 B13R1.19 Cc1ccc(nc1)CC(=O)C=CBr 1458a_100016273825_100000691093 [0,1,1,0,0,0|2,0,0]=4 687 B13R1.19 Cc1ccc(nc1)CC(=O)C=CCl 1458a_200016279998_100000691093 [0,1,1,0,0,0|2,0,0]=4 688 B13R1.19 Cc1ccc(nc1)CC(=O)C=CI 1458a_100016256311_100000691093 [0,1,1,0,0,0|2,0,0]=4 689 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)Br 1458a_100016273825_100000189115 [0,1,1,0,0,0|2,0,0]=4 690 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)Cl 1458a_100016273825_100000694040 [0,1,1,0,0,0|2,0,0]=4 691 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)F 1458a_100016273825_100000198546 [0,1,1,0,0,0|2,0,0]=4 692 B13R1.19 O=C(C=CBr)Cc1ccc(cc1)I 1458a_100016273825_100000189116 [0,1,1,0,0,0|2,0,0]=4 693 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)Br 1626a_100000210018_100016273825 [0,1,1,0,0,0|2,0,0]=4 694 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)Cl 1626a_100000210052_100016273825 [0,1,1,0,0,0|2,0,0]=4 695 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)F 1626a_100000185862_100016273825 [0,1,1,0,0,0|2,0,0]=4 696 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)I 1626a_100000185761_100016273825 [0,1,1,0,0,0|2,0,0]=4 697 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)Br 1458a_200016279998_100000189115 [0,1,1,0,0,0|2,0,0]=4 698 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)Cl 1458a_200016279998_100000694040 [0,1,1,0,0,0|2,0,0]=4 699 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)F 1458a_200016279998_100000198546 [0,1,1,0,0,0|2,0,0]=4 700 B13R1.19 O=C(C=CCl)Cc1ccc(cc1)I 1458a_200016279998_100000189116 [0,1,1,0,0,0|2,0,0]=4 701 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Br 11a_100000210018_200016279998 [0,1,1,0,0,0|2,0,0]=4 702 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Br 1626a_100000210018_200016279998 [0,1,1,0,0,0|2,0,0]=4 703 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Cl 11a_100000210052_200016279998 [0,1,1,0,0,0|2,0,0]=4 704 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Cl 1626a_100000210052_200016279998 [0,1,1,0,0,0|2,0,0]=4 705 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)F 11a_100000185862_200016279998 [0,1,1,0,0,0|2,0,0]=4 706 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)F 1626a_100000185862_200016279998 [0,1,1,0,0,0|2,0,0]=4 707 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)I 11a_100000185761_200016279998 [0,1,1,0,0,0|2,0,0]=4 708 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)I 1626a_100000185761_200016279998 [0,1,1,0,0,0|2,0,0]=4 709 B13R1.19 O=C(C=CI)Cc1ccc(cc1)Br 1458a_100016256311_100000189115 [0,1,1,0,0,0|2,0,0]=4 710 B13R1.19 O=C(C=CI)Cc1ccc(cc1)Cl 1458a_100016256311_100000694040 [0,1,1,0,0,0|2,0,0]=4 711 B13R1.19 O=C(C=CI)Cc1ccc(cc1)F 1458a_100016256311_100000198546 [0,1,1,0,0,0|2,0,0]=4 712 B13R1.19 O=C(C=CI)Cc1ccc(cc1)I 1458a_100016256311_100000189116 [0,1,1,0,0,0|2,0,0]=4 713 B13R1.19 O=C(C=CI)Nc1ccc(cc1)Br 1626a_100000210018_100016256311 [0,1,1,0,0,0|2,0,0]=4 714 B13R1.19 O=C(C=CI)Nc1ccc(cc1)Cl 1626a_100000210052_100016256311 [0,1,1,0,0,0|2,0,0]=4 715 B13R1.19 O=C(C=CI)Nc1ccc(cc1)F 1626a_100000185862_100016256311 [0,1,1,0,0,0|2,0,0]=4 716 B13R1.19 O=C(C=CI)Nc1ccc(cc1)I 1626a_100000185761_100016256311 [0,1,1,0,0,0|2,0,0]=4 717 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)Br 1458a_100000185746_100000755118 [0,1,1,0,0,0|2,0,0]=4 718 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)C 1458a_100000185746_100011261388 [0,1,1,0,0,0|1,0,0]=3 719 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000185746_100000684792 [0,1,1,0,0,0|2,0,0]=4 720 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)F 1458a_100000185746_100000743420 [0,1,1,0,0,0|2,0,0]=4 721 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100000185746 [0,1,1,0,0,0|2,0,0]=4 722 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000185746 [0,1,1,0,0,0|2,0,0]=4 723 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100000185746 [0,1,1,0,0,0|1,0,0]=3 724 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000185746 [0,1,1,0,0,0|1,0,0]=3 725 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100000185746 [0,1,1,0,0,0|2,0,0]=4 726 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000185746 [0,1,1,0,0,0|2,0,0]=4 727 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100000185746 [0,1,1,0,0,0|2,0,0]=4 728 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000185746 [0,1,1,0,0,0|2,0,0]=4 729 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100000185746 [0,1,1,0,0,0|2,0,0]=4 730 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000185746 [0,1,1,0,0,0|2,0,0]=4 731 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000185746 [0,1,1,0,0,0|2,0,0]=4 732 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100009813364 [0,1,1,0,0,0|2,0,0]=4 733 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100009813364 [0,1,1,0,0,0|2,0,0]=4 734 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)C 11a_100000124888_100009813364 [0,1,1,0,0,0|1,0,0]=3 735 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100009813364 [0,1,1,0,0,0|1,0,0]=3 736 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100009813364 [0,1,1,0,0,0|2,0,0]=4 737 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100009813364 [0,1,1,0,0,0|2,0,0]=4 738 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)F 11a_100000185862_100009813364 [0,1,1,0,0,0|2,0,0]=4 739 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100009813364 [0,1,1,0,0,0|2,0,0]=4 740 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)I 11a_100000185761_100009813364 [0,1,1,0,0,0|2,0,0]=4 741 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100009813364 [0,1,1,0,0,0|2,0,0]=4 742 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)Br 1458a_100000185857_100000189115 [0,1,1,0,0,0|2,0,0]=4 743 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)C 1458a_100000185857_100000210814 [0,1,1,0,0,0|1,0,0]=3 744 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)Cl 1458a_100000185857_100000694040 [0,1,1,0,0,0|2,0,0]=4 745 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)F 1458a_100000185857_100000198546 [0,1,1,0,0,0|2,0,0]=4 746 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)I 1458a_100000185857_100000189116 [0,1,1,0,0,0|2,0,0]=4 747 B13R1.133 C=C(C)C(=O)Cc1ccc(cn1)C 1458a_100000185857_100000691093 [0,1,1,0,0,0|2,0,0]=4 748 B13R1.133 C=C(C)C(=O)Cc1ccc(nc1)C 1458a_100000185857_100016987292 [0,1,1,0,0,0|2,0,0]=4 749 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000185857 [0,1,1,0,0,0|2,0,0]=4 750 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185857 [0,1,1,0,0,0|2,0,0]=4 751 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185857 [0,1,1,0,0,0|2,0,0]=4 752 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000185857 [0,1,1,0,0,0|1,0,0]=3 753 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185857 [0,1,1,0,0,0|1,0,0]=3 754 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000185857 [0,1,1,0,0,0|1,0,0]=3 755 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000185857 [0,1,1,0,0,0|2,0,0]=4 756 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185857 [0,1,1,0,0,0|2,0,0]=4 757 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185857 [0,1,1,0,0,0|2,0,0]=4 758 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000185857 [0,1,1,0,0,0|2,0,0]=4 759 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185857 [0,1,1,0,0,0|2,0,0]=4 760 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000185857 [0,1,1,0,0,0|2,0,0]=4 761 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000185857 [0,1,1,0,0,0|2,0,0]=4 762 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185857 [0,1,1,0,0,0|2,0,0]=4 763 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000185857 [0,1,1,0,0,0|2,0,0]=4 764 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000185857 [0,1,1,0,0,0|2,0,0]=4 765 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000039160 [0,1,1,0,0,0|2,0,0]=4 766 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000039160 [0,1,1,0,0,0|2,0,0]=4 767 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000039160 [0,1,1,0,0,0|2,0,0]=4 768 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000039160 [0,1,1,0,0,0|1,0,0]=3 769 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000039160 [0,1,1,0,0,0|1,0,0]=3 770 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000039160 [0,1,1,0,0,0|1,0,0]=3 771 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000039160 [0,1,1,0,0,0|2,0,0]=4 772 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000039160 [0,1,1,0,0,0|2,0,0]=4 773 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000039160 [0,1,1,0,0,0|2,0,0]=4 774 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000039160 [0,1,1,0,0,0|2,0,0]=4 775 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000039160 [0,1,1,0,0,0|2,0,0]=4 776 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000039160 [0,1,1,0,0,0|2,0,0]=4 777 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000039160 [0,1,1,0,0,0|2,0,0]=4 778 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000039160 [0,1,1,0,0,0|2,0,0]=4 779 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000039160 [0,1,1,0,0,0|2,0,0]=4 780 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000039160 [0,1,1,0,0,0|2,0,0]=4 781 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000036797 [0,1,1,0,0,0|2,0,0]=4 782 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000036797 [0,1,1,0,0,0|2,0,0]=4 783 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000036797 [0,1,1,0,0,0|2,0,0]=4 784 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000036797 [0,1,1,0,0,0|1,0,0]=3 785 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000036797 [0,1,1,0,0,0|1,0,0]=3 786 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000036797 [0,1,1,0,0,0|1,0,0]=3 787 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000036797 [0,1,1,0,0,0|2,0,0]=4 788 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000036797 [0,1,1,0,0,0|2,0,0]=4 789 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000036797 [0,1,1,0,0,0|2,0,0]=4 790 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000036797 [0,1,1,0,0,0|2,0,0]=4 791 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000036797 [0,1,1,0,0,0|2,0,0]=4 792 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000036797 [0,1,1,0,0,0|2,0,0]=4 793 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000036797 [0,1,1,0,0,0|2,0,0]=4 794 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000036797 [0,1,1,0,0,0|2,0,0]=4 795 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000036797 [0,1,1,0,0,0|2,0,0]=4 796 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000036797 [0,1,1,0,0,0|2,0,0]=4 797 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_200000210301 [0,1,1,0,0,0|1,0,1]=4 798 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)N 22a_100000124888_100011215815 [0,1,1,0,0,0|2,0,0]=4 799 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)[13CH3] 1458a_100000189662_200025704644 [0,1,1,0,0,0|1,0,1]=4 800 B13R1.145 Cc1ccc(cc1)OC(C=O)C=O 34a_100000210336_100000736813 [0,1,1,0,0,0|1,0,1]=4 801 B13R1.2679 C=CC(=O)Cc1ccc(cc1Br)Br 1458a_100000185746_200012351560 [0,1,1,0,0,0|2,0,0]=4 802 B13R1.2679 C=CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000185746_100000755608 [0,1,1,0,0,0|2,0,0]=4 803 B13R1.2679 C=CC(=O)Cc1ccc(cc1Br)F 1458a_100000185746_100000243222 [0,1,1,0,0,0|2,0,0]=4 804 B13R1.2679 C=CC(=O)Cc1ccc(cc1Br)I 1458a_100000185746_100010146610 [0,1,1,0,0,0|2,0,0]=4 805 B13R1.2679 C=CC(=O)Cc1ccc(cc1C)Br 1458a_100000185746_100000708836 [0,1,1,0,0,0|2,0,0]=4 806 B13R1.2679 C=CC(=O)Cc1ccc(cc1C)C 1458a_100000185746_100011219618 [0,1,1,0,0,0|1,0,0]=3 807 B13R1.2679 C=CC(=O)Cc1ccc(cc1C)Cl 1458a_100000185746_100012361307 [0,1,1,0,0,0|2,0,0]=4 808 B13R1.2679 C=CC(=O)Cc1ccc(cc1C)F 1458a_100000185746_100000700533 [0,1,1,0,0,0|2,0,0]=4 809 B13R1.2679 C=CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000185746_100011740631 [0,1,1,0,0,0|2,0,0]=4 810 B13R1.2679 C=CC(=O)Cc1ccc(cc1Cl)C 1458a_100000185746_100012349684 [0,1,1,0,0,0|1,0,0]=3 811 B13R1.2679 C=CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000185746_100000188473 [0,1,1,0,0,0|2,0,0]=4 812 B13R1.2679 C=CC(=O)Cc1ccc(cc1Cl)F 1458a_100000185746_100011216360 [0,1,1,0,0,0|2,0,0]=4 813 B13R1.2679 C=CC(=O)Cc1ccc(cc1F)Br 1458a_100000185746_100000211606 [0,1,1,0,0,0|2,0,0]=4 814 B13R1.2679 C=CC(=O)Cc1ccc(cc1F)C 1458a_100000185746_100012002367 [0,1,1,0,0,0|1,0,0]=3 815 B13R1.2679 C=CC(=O)Cc1ccc(cc1F)Cl 1458a_100000185746_100000709361 [0,1,1,0,0,0|2,0,0]=4 816 B13R1.2679 C=CC(=O)Cc1ccc(cc1F)F 1458a_100000185746_100000748237 [0,1,1,0,0,0|2,0,0]=4 817 B13R1.2679 C=CC(=O)Cc1ccc(cc1F)I 1458a_100000185746_100010244991 [0,1,1,0,0,0|2,0,0]=4 818 B13R1.2679 C=CC(=O)Cc1ccc(cc1I)Br 1458a_100000185746_100010146615 [0,1,1,0,0,0|2,0,0]=4 819 B13R1.2679 C=CC(=O)Cc1ccc(cc1I)Cl 1458a_100000185746_100010254388 [0,1,1,0,0,0|2,0,0]=4 820 B13R1.2679 C=CC(=O)Cc1ccc(cc1I)F 1458a_100000185746_100012354799 [0,1,1,0,0,0|2,0,0]=4 821 B13R1.2679 C=CC(=O)Cc1ccc(nc1Br)C 1458a_100000185746_200010064658 [0,1,1,0,0,0|2,0,0]=4 822 B13R1.2679 C=CC(=O)Cc1ncc(cc1C)C 1458a_100000185746_100016990036 [0,1,1,0,0,0|2,0,0]=4 823 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)Br 1626a_100000211012_100000185746 [0,1,1,0,0,0|2,0,0]=4 824 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100000185746 [0,1,1,0,0,0|1,0,0]=3 825 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)Cl 1626a_100000752454_100000185746 [0,1,1,0,0,0|2,0,0]=4 826 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)F 1626a_100000738039_100000185746 [0,1,1,0,0,0|2,0,0]=4 827 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)I 1626a_100000750455_100000185746 [0,1,1,0,0,0|2,0,0]=4 828 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000185746 [0,1,1,0,0,0|2,0,0]=4 829 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100000185746 [0,1,1,0,0,0|2,0,0]=4 830 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000185746 [0,1,1,0,0,0|2,0,0]=4 831 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100000185746 [0,1,1,0,0,0|1,0,0]=3 832 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000185746 [0,1,1,0,0,0|1,0,0]=3 833 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100000185746 [0,1,1,0,0,0|2,0,0]=4 834 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000185746 [0,1,1,0,0,0|2,0,0]=4 835 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100000185746 [0,1,1,0,0,0|2,0,0]=4 836 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000185746 [0,1,1,0,0,0|2,0,0]=4 837 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100000185746 [0,1,1,0,0,0|2,0,0]=4 838 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000185746 [0,1,1,0,0,0|2,0,0]=4 839 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000185746 [0,1,1,0,0,0|2,0,0]=4 840 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)Br 1626a_100000211467_100000185746 [0,1,1,0,0,0|2,0,0]=4 841 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100000185746 [0,1,1,0,0,0|1,0,0]=3 842 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000185746 [0,1,1,0,0,0|1,0,0]=3 843 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)Cl 1626a_100000185861_100000185746 [0,1,1,0,0,0|2,0,0]=4 844 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000185746 [0,1,1,0,0,0|2,0,0]=4 845 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)F 1626a_100000212003_100000185746 [0,1,1,0,0,0|2,0,0]=4 846 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)F 22a_100000212003_100000185746 [0,1,1,0,0,0|2,0,0]=4 847 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)I 1626a_100011218065_100000185746 [0,1,1,0,0,0|2,0,0]=4 848 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)I 22a_100011218065_100000185746 [0,1,1,0,0,0|2,0,0]=4 849 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000185746 [0,1,1,0,0,0|2,0,0]=4 850 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100000185746 [0,1,1,0,0,0|2,0,0]=4 851 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000185746 [0,1,1,0,0,0|2,0,0]=4 852 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100000185746 [0,1,1,0,0,0|1,0,0]=3 853 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000185746 [0,1,1,0,0,0|1,0,0]=3 854 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100000185746 [0,1,1,0,0,0|2,0,0]=4 855 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000185746 [0,1,1,0,0,0|2,0,0]=4 856 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100000185746 [0,1,1,0,0,0|2,0,0]=4 857 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000185746 [0,1,1,0,0,0|2,0,0]=4 858 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100000185746 [0,1,1,0,0,0|2,0,0]=4 859 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000185746 [0,1,1,0,0,0|2,0,0]=4 860 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000185746 [0,1,1,0,0,0|2,0,0]=4 861 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)Br 1626a_100000187925_100000185746 [0,1,1,0,0,0|2,0,0]=4 862 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100000185746 [0,1,1,0,0,0|1,0,0]=3 863 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)Cl 1626a_100000761889_100000185746 [0,1,1,0,0,0|2,0,0]=4 864 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)F 1626a_100000760547_100000185746 [0,1,1,0,0,0|2,0,0]=4 865 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)F 22a_100000760547_100000185746 [0,1,1,0,0,0|2,0,0]=4 866 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)I 1626a_100010002754_100000185746 [0,1,1,0,0,0|2,0,0]=4 867 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000185746 [0,1,1,0,0,0|2,0,0]=4 868 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000185746 [0,1,1,0,0,0|2,0,0]=4 869 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000185746 [0,1,1,0,0,0|1,0,0]=3 870 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000185746 [0,1,1,0,0,0|2,0,0]=4 871 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000185746 [0,1,1,0,0,0|2,0,0]=4 872 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000185746 [0,1,1,0,0,0|2,0,0]=4 873 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000185746 [0,1,1,0,0,0|2,0,0]=4 874 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000185746_100012353900 [0,1,1,0,0,0|2,0,0]=4 875 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000185746_100012232412 [0,1,1,0,0,0|1,0,0]=3 876 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000185746_100012353894 [0,1,1,0,0,0|2,0,0]=4 877 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000185746_100011206884 [0,1,1,0,0,0|2,0,0]=4 878 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000185746_100000727479 [0,1,1,0,0,0|2,0,0]=4 879 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)C 1458a_100000185746_100000742320 [0,1,1,0,0,0|1,0,0]=3 880 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000185746_100012184735 [0,1,1,0,0,0|2,0,0]=4 881 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)F 1458a_100000185746_100011216667 [0,1,1,0,0,0|2,0,0]=4 882 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000185746_100012353895 [0,1,1,0,0,0|2,0,0]=4 883 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000185746_100011823929 [0,1,1,0,0,0|1,0,0]=3 884 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000185746_100000184707 [0,1,1,0,0,0|2,0,0]=4 885 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000185746_100000717365 [0,1,1,0,0,0|2,0,0]=4 886 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000185746_100012349665 [0,1,1,0,0,0|2,0,0]=4 887 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000185746_100000767054 [0,1,1,0,0,0|2,0,0]=4 888 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)C 1458a_100000185746_100011217369 [0,1,1,0,0,0|1,0,0]=3 889 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000185746_100000716492 [0,1,1,0,0,0|2,0,0]=4 890 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)F 1458a_100000185746_100000757363 [0,1,1,0,0,0|2,0,0]=4 891 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)I 1458a_100000185746_100010149604 [0,1,1,0,0,0|2,0,0]=4 892 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000185746_100010146616 [0,1,1,0,0,0|2,0,0]=4 893 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)I)C 1458a_100000185746_100010206137 [0,1,1,0,0,0|1,0,0]=3 894 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)I)F 1458a_100000185746_100010188208 [0,1,1,0,0,0|2,0,0]=4 895 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Br)Br 1626a_100011306057_100000185746 [0,1,1,0,0,0|2,0,0]=4 896 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000185746 [0,1,1,0,0,0|2,0,0]=4 897 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Br)C 1626a_100000736455_100000185746 [0,1,1,0,0,0|1,0,0]=3 898 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Br)C 22a_100000736455_100000185746 [0,1,1,0,0,0|1,0,0]=3 899 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Br)Cl 1626a_100000686031_100000185746 [0,1,1,0,0,0|2,0,0]=4 900 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000185746 [0,1,1,0,0,0|2,0,0]=4 901 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Br)F 1626a_100000760356_100000185746 [0,1,1,0,0,0|2,0,0]=4 902 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Br)F 22a_100000760356_100000185746 [0,1,1,0,0,0|2,0,0]=4 903 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Br)I 1626a_100000750458_100000185746 [0,1,1,0,0,0|2,0,0]=4 904 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Br)I 22a_100000750458_100000185746 [0,1,1,0,0,0|2,0,0]=4 905 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000185746 [0,1,1,0,0,0|2,0,0]=4 906 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100000185746 [0,1,1,0,0,0|2,0,0]=4 907 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000185746 [0,1,1,0,0,0|2,0,0]=4 908 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100000185746 [0,1,1,0,0,0|1,0,0]=3 909 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000185746 [0,1,1,0,0,0|1,0,0]=3 910 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100000185746 [0,1,1,0,0,0|2,0,0]=4 911 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000185746 [0,1,1,0,0,0|2,0,0]=4 912 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100000185746 [0,1,1,0,0,0|2,0,0]=4 913 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000185746 [0,1,1,0,0,0|2,0,0]=4 914 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100000185746 [0,1,1,0,0,0|2,0,0]=4 915 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000185746 [0,1,1,0,0,0|2,0,0]=4 916 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000185746 [0,1,1,0,0,0|2,0,0]=4 917 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Cl)Br 1626a_100000687081_100000185746 [0,1,1,0,0,0|2,0,0]=4 918 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000185746 [0,1,1,0,0,0|2,0,0]=4 919 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Cl)C 1626a_100000188892_100000185746 [0,1,1,0,0,0|1,0,0]=3 920 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Cl)C 22a_100000188892_100000185746 [0,1,1,0,0,0|1,0,0]=3 921 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Cl)Cl 1626a_100000184108_100000185746 [0,1,1,0,0,0|2,0,0]=4 922 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000185746 [0,1,1,0,0,0|2,0,0]=4 923 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Cl)F 1626a_100000211060_100000185746 [0,1,1,0,0,0|2,0,0]=4 924 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000185746 [0,1,1,0,0,0|2,0,0]=4 925 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Cl)I 1626a_100000761885_100000185746 [0,1,1,0,0,0|2,0,0]=4 926 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000185746 [0,1,1,0,0,0|2,0,0]=4 927 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000185746 [0,1,1,0,0,0|2,0,0]=4 928 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)F)Br 1626a_100000759894_100000185746 [0,1,1,0,0,0|2,0,0]=4 929 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)F)Br 22a_100000759894_100000185746 [0,1,1,0,0,0|2,0,0]=4 930 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)F)C 1626a_100000210958_100000185746 [0,1,1,0,0,0|1,0,0]=3 931 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)F)C 22a_100000210958_100000185746 [0,1,1,0,0,0|1,0,0]=3 932 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)F)Cl 1626a_100000739366_100000185746 [0,1,1,0,0,0|2,0,0]=4 933 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000185746 [0,1,1,0,0,0|2,0,0]=4 934 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)F)F 1626a_100000210724_100000185746 [0,1,1,0,0,0|2,0,0]=4 935 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)F)F 22a_100000210724_100000185746 [0,1,1,0,0,0|2,0,0]=4 936 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)F)I 1626a_100011356925_100000185746 [0,1,1,0,0,0|2,0,0]=4 937 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)F)I 22a_100011356925_100000185746 [0,1,1,0,0,0|2,0,0]=4 938 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000185746 [0,1,1,0,0,0|2,0,0]=4 939 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)I)Br 1626a_100000750459_100000185746 [0,1,1,0,0,0|2,0,0]=4 940 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)I)Br 22a_100000750459_100000185746 [0,1,1,0,0,0|2,0,0]=4 941 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)I)C 1626a_100000184131_100000185746 [0,1,1,0,0,0|1,0,0]=3 942 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)I)C 22a_100000184131_100000185746 [0,1,1,0,0,0|1,0,0]=3 943 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)I)Cl 1626a_100012360549_100000185746 [0,1,1,0,0,0|2,0,0]=4 944 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000185746 [0,1,1,0,0,0|2,0,0]=4 945 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)I)F 1626a_114828291077_100000185746 [0,1,1,0,0,0|2,0,0]=4 946 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)I)F 22a_114828291077_100000185746 [0,1,1,0,0,0|2,0,0]=4 947 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000185746 [0,1,1,0,0,0|1,0,0]=3 948 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000185746 [0,1,1,0,0,0|2,0,0]=4 949 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000185746 [0,1,1,0,0,0|2,0,0]=4 950 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000185746 [0,1,1,0,0,0|2,0,0]=4 951 B13R1.51 C=Cc1cc(ccc1NC(=O)C)Br 271570a_100011290941_100009813020 [0,1,1,0,0,0|2,0,0]=4 952 B13R1.51 C=Cc1cc(ccc1NC(=O)C)C 271570a_100011290941_100000152032 [0,1,1,0,0,0|1,0,0]=3 953 B13R1.51 C=Cc1cc(ccc1NC(=O)C)F 271570a_100011290941_100011215554 [0,1,1,0,0,0|2,0,0]=4 954 B13R1.51 C=Cc1cc(cnc1NC(=O)C)C 271570a_100011290941_200009816786 [0,1,1,0,0,0|2,0,0]=4 955 B13R1.73 C=Cc1cc(ccc1OCCN)C 271570a_100011290941_100025744979 [0,1,1,0,0,0|1,0,1]=4 956 B13R1.73 C=Cc1cc(ccc1OCOC)C 271570a_100011290941_100012265689 [0,1,1,0,0,0|0,0,2]=4 957 B13R1.73 C=Cc1cc(ccc1SCC=O)F 62a_100012356183_200015260668 [0,1,1,0,0,0|1,1,0]=4 958 B13R1.73 C=Cc1cc(ccc1SCC=O)F 62a_200015260668_100012356183 [0,1,1,0,0,0|1,1,0]=4 959 B13R1.73 CCc1cc(ccc1OCC=O)C 34a_100009844793_200009817547 [0,1,1,0,0,0|0,0,2]=4 960 B13R1.73 CCc1cc(ccc1OCC=O)C 7a_100009844793_200015260668 [0,1,1,0,0,0|0,0,2]=4 961 B13R1.73 COc1cc(ccc1OCC=O)C 34a_100000186466_200009817547 [0,1,1,0,0,0|1,0,1]=4 962 B13R1.73 Cc1ccc(c(c1)C#N)OCC=O 34a_200012180384_200009817547 [0,1,1,0,0,0|1,0,1]=4 963 B13R1.73 Cc1ccc(c(c1)C#N)OCC=O 7a_200012180384_200015260668 [0,1,1,0,0,0|1,0,1]=4 964 B13R1.73 Cc1ccc(c(c1)C=O)SCC=O 62a_100011551863_200015260668 [0,1,1,0,0,0|1,1,0]=4 965 B13R1.73 Cc1ccc(c(c1)C=O)SCC=O 62a_200015260668_100011551863 [0,1,1,0,0,0|1,1,0]=4 966 B13R1.73 Cc1ccc(c(c1)CO)OCC=O 34a_200011846009_200009817547 [0,1,1,0,0,0|1,0,1]=4 967 B13R1.73 Cc1ccc(c(c1)CO)OCC=O 7a_200011846009_200015260668 [0,1,1,0,0,0|1,0,1]=4 968 B13R1.141 C=C(C)c1cc(ccc1OCC)C 271570a_100000694244_200000230997 [0,1,1,0,0,0|1,0,1]=4 969 B13R1.1248 C=C=Cc1cc(ccc1OCC)C 271570a_100015277604_200000230997 [0,1,1,0,0,0|1,0,1]=4 970 B13R1.1248 CC=Cc1cc(ccc1OCC)C 271570a_100016259895_200000230997 [0,1,1,0,0,0|1,0,1]=4 971 B13R1.1249 C=Cc1cc(ccc1OCC)CO 271570a_100011290941_200011800839 [0,1,1,0,0,0|1,0,1]=4 972 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210202 [0,1,1,0,0,0|2,0,0]=4 973 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000211110 [0,1,1,0,0,0|2,0,0]=4 974 B13R1.15 CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210202 [0,1,1,0,0,0|1,0,0]=3 975 B13R1.15 CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210202 [0,1,1,0,0,0|2,0,0]=4 976 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210202 [0,1,1,0,0,0|2,0,0]=4 977 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000211110 [0,1,1,0,0,0|2,0,0]=4 978 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210202 [0,1,1,0,0,0|2,0,0]=4 979 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000211110 [0,1,1,0,0,0|2,0,0]=4 980 B13R1.15 CCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000211110 [0,1,1,0,0,0|2,0,0]=4 981 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 11a_106832991635_100016258244 [0,1,1,0,0,0|2,0,0]=4 982 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 1626a_100102657272_100016258244 [0,1,1,0,0,0|2,0,0]=4 983 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 240690a_100102657272_100016258244 [0,1,1,0,0,0|2,0,0]=4 984 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 11a_106832991635_100000690095 [0,1,1,0,0,0|1,0,0]=3 985 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 1626a_100102657272_100000690095 [0,1,1,0,0,0|1,0,0]=3 986 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 240690a_100102657272_100000690095 [0,1,1,0,0,0|1,0,0]=3 987 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 11a_106832991635_100000184502 [0,1,1,0,0,0|2,0,0]=4 988 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 1626a_100102657272_100000184502 [0,1,1,0,0,0|2,0,0]=4 989 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 240690a_100102657272_100000184502 [0,1,1,0,0,0|2,0,0]=4 990 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 11a_106832991635_100000718793 [0,1,1,0,0,0|2,0,0]=4 991 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 1626a_100102657272_100000718793 [0,1,1,0,0,0|2,0,0]=4 992 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 240690a_100102657272_100000718793 [0,1,1,0,0,0|2,0,0]=4 993 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 11a_106832991635_100020647043 [0,1,1,0,0,0|2,0,0]=4 994 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 1626a_100102657272_100020647043 [0,1,1,0,0,0|2,0,0]=4 995 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 240690a_100102657272_100020647043 [0,1,1,0,0,0|2,0,0]=4 996 B13R1.15 COC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_100000149372 [0,1,1,0,0,0|1,0,0]=3 997 B13R1.15 COC(=O)CNc1cccc(c1)C 2230a_100000188690_100000747449 [0,1,1,0,0,0|1,0,1]=4 998 B13R1.15 COC(=O)CNc1cccc(c1)C 34a_100000188690_100000747449 [0,1,1,0,0,0|1,0,1]=4 999 B13R1.15 COC(=O)COc1cccc(c1)C 34a_100000210337_100000747449 [0,1,1,0,0,0|1,0,1]=4 1000 B13R1.15 COC(=O)COc1cccc(c1)C 7a_100000210337_100000747449 [0,1,1,0,0,0|1,0,1]=4 1001 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100000747449_100011215228 [0,1,1,0,0,0|1,0,1]=4 1002 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100011215228_100000747449 [0,1,1,0,0,0|1,0,1]=4 1003 B13R1.15 Cc1cccc(c1)C=CC(=O)CF 1458a_100000690095_100015361967 [0,1,1,0,0,0|1,0,0]=3 1004 B13R1.15 Cc1cccc(c1)CCC(=O)CO 1458a_100000210174_100011713685 [0,1,1,0,0,0|0,0,2]=4 1005 B13R1.15 Cc1cccc(c1)CNC(=O)CO 240690a_100000185548_100000210174 [0,1,1,0,0,0|1,0,1]=4 1006 B13R1.15 Cc1cccc(c1)CNC(=O)CO 527a_100000185548_100000210174 [0,1,1,0,0,0|1,0,1]=4 1007 B13R1.15 Cc1cccc(c1)NNC(=O)CO 22a_100000681630_100000210174 [0,1,1,0,0,0|2,0,0]=4 1008 B13R1.15 Cc1cncc(c1)C=CC(=O)CBr 6a_100011998712_100009888967 [0,1,1,0,0,0|2,0,0]=4 1009 B13R1.15 Cc1cncc(c1)C=CC(=O)CCl 6a_100011998712_100000086384 [0,1,1,0,0,0|2,0,0]=4 1010 B13R1.15 Cc1cncc(c1)C=CC(=O)CF 6a_100011998712_100000764096 [0,1,1,0,0,0|2,0,0]=4 1011 B13R1.15 O=C(C=Cc1cccc(c1)Br)CBr 6a_100000210085_100009888967 [0,1,1,0,0,0|2,0,0]=4 1012 B13R1.15 O=C(C=Cc1cccc(c1)Br)CCl 6a_100000210085_100000086384 [0,1,1,0,0,0|2,0,0]=4 1013 B13R1.15 O=C(C=Cc1cccc(c1)Br)CF 1458a_100016258244_100015361967 [0,1,1,0,0,0|2,0,0]=4 1014 B13R1.15 O=C(C=Cc1cccc(c1)Br)CF 6a_100000210085_100000764096 [0,1,1,0,0,0|2,0,0]=4 1015 B13R1.15 O=C(C=Cc1cccc(c1)Cl)CF 1458a_100000184502_100015361967 [0,1,1,0,0,0|2,0,0]=4 1016 B13R1.15 O=C(C=Cc1cccc(c1)F)CBr 6a_100000210812_100009888967 [0,1,1,0,0,0|2,0,0]=4 1017 B13R1.15 O=C(C=Cc1cccc(c1)F)CCl 6a_100000210812_100000086384 [0,1,1,0,0,0|2,0,0]=4 1018 B13R1.15 O=C(C=Cc1cccc(c1)F)CF 1458a_100000718793_100015361967 [0,1,1,0,0,0|2,0,0]=4 1019 B13R1.15 O=C(C=Cc1cccc(c1)F)CF 6a_100000210812_100000764096 [0,1,1,0,0,0|2,0,0]=4 1020 B13R1.15 O=C(C=Cc1cccc(c1)I)CBr 6a_100000014684_100009888967 [0,1,1,0,0,0|2,0,0]=4 1021 B13R1.15 O=C(C=Cc1cccc(c1)I)CCl 6a_100000014684_100000086384 [0,1,1,0,0,0|2,0,0]=4 1022 B13R1.15 O=C(C=Cc1cccc(c1)I)CF 1458a_100020647043_100015361967 [0,1,1,0,0,0|2,0,0]=4 1023 B13R1.15 O=C(C=Cc1cccc(c1)I)CF 6a_100000014684_100000764096 [0,1,1,0,0,0|2,0,0]=4 1024 B13R1.147 CC(=O)CC(=O)c1cccc(c1)C 1458a_100000070787_100000739480 [0,1,1,0,0,0|1,0,1]=4 1025 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)N 1458a_100000189346_100000187820 [0,1,1,0,0,0|1,0,1]=4 1026 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)[O-] 1458a_100000189346_100020667443 [0,1,1,0,0,0|0,0,2]=4 1027 B13R1.148 Cc1cccc(c1)NC(=O)C(=O)N 22a_100000188690_100011215815 [0,1,1,0,0,0|2,0,0]=4 1028 B13R1.150 CC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_200000210301 [0,1,1,0,0,0|2,0,0]=4 1029 B13R1.150 CC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200000210301 [0,1,1,0,0,0|2,0,0]=4 1030 B13R1.150 CC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200000210301 [0,1,1,0,0,0|2,0,0]=4 1031 B13R1.150 CC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200000210301 [0,1,1,0,0,0|2,0,0]=4 1032 B13R1.150 CC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200000210301 [0,1,1,0,0,0|2,0,0]=4 1033 B13R1.150 Cc1c(cccc1C=CC(=O)[13CH3])F 1458a_100102526135_200025704644 [0,1,1,0,0,0|2,0,0]=4 1034 B13R1.150 Cc1cccc(c1C)C=CC(C)O 271570a_200011019289_100011214922 [0,1,1,0,0,0|1,0,1]=4 1035 B13R1.150 Cc1cccc(c1Cl)C=CC(C)O 271570a_200011019289_200012352035 [0,1,1,0,0,0|1,0,1]=4 1036 B13R1.150 Cc1cccc(c1F)C=CC(C)O 271570a_200011019289_100000717567 [0,1,1,0,0,0|1,0,1]=4 1037 B13R1.150 Cc1cccc(c1N)C=CC(C)O 271570a_200011019289_100011834072 [0,1,1,0,0,0|1,0,1]=4 1038 B13R1.150 Cc1cccc(c1O)C=CC(C)O 271570a_200011019289_100009817157 [0,1,1,0,0,0|1,0,1]=4 1039 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200025704644 [0,1,1,0,0,0|2,0,0]=4 1040 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200025704644 [0,1,1,0,0,0|2,0,0]=4 1041 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200025704644 [0,1,1,0,0,0|2,0,0]=4 1042 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200025704644 [0,1,1,0,0,0|2,0,0]=4 1043 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200000210301 [0,1,1,0,0,0|2,0,0]=4 1044 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200000210301 [0,1,1,0,0,0|2,0,0]=4 1045 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200000210301 [0,1,1,0,0,0|2,0,0]=4 1046 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_200000210301 [0,1,1,0,0,0|1,0,0]=3 1047 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_200000210301 [0,1,1,0,0,0|1,0,0]=3 1048 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200000210301 [0,1,1,0,0,0|2,0,0]=4 1049 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200000210301 [0,1,1,0,0,0|2,0,0]=4 1050 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200000210301 [0,1,1,0,0,0|2,0,0]=4 1051 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200000210301 [0,1,1,0,0,0|2,0,0]=4 1052 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_200000210301 [0,1,1,0,0,0|2,0,0]=4 1053 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200000210301 [0,1,1,0,0,0|2,0,0]=4 1054 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200000210301 [0,1,1,0,0,0|2,0,0]=4 1055 B13R1.511 Cc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_100009813585 [0,1,1,0,0,0|1,0,1]=4 1056 B13R1.511 Cc1cc(ccc1Cl)C=CC(C)O 271570a_200011019289_100000049509 [0,1,1,0,0,0|1,0,1]=4 1057 B13R1.511 Cc1cc(ccc1F)C=CC(=O)[13CH3] 1458a_100016261966_200025704644 [0,1,1,0,0,0|1,0,0]=3 1058 B13R1.511 Cc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100011218330 [0,1,1,0,0,0|1,0,1]=4 1059 B13R1.511 Cc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000211769 [0,1,1,0,0,0|1,0,1]=4 1060 B13R1.511 Cc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000186361 [0,1,1,0,0,0|1,0,1]=4 1061 B13R1.511 Cc1ccc(cc1C)C=CC(=O)[13CH3] 1458a_100011338269_200025704644 [0,1,1,0,0,0|1,0,0]=3 1062 B13R1.511 Cc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011215607 [0,1,1,0,0,0|1,0,1]=4 1063 B13R1.511 Cc1ccc(cc1F)C=CC(=O)[13CH3] 1458a_100102526211_200025704644 [0,1,1,0,0,0|2,0,0]=4 1064 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200025704644 [0,1,1,0,0,0|2,0,0]=4 1065 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200025704644 [0,1,1,0,0,0|2,0,0]=4 1066 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200025704644 [0,1,1,0,0,0|2,0,0]=4 1067 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200025704644 [0,1,1,0,0,0|2,0,0]=4 1068 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200025704644 [0,1,1,0,0,0|2,0,0]=4 1069 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200025704644 [0,1,1,0,0,0|2,0,0]=4 1070 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200025704644 [0,1,1,0,0,0|2,0,0]=4 1071 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200025704644 [0,1,1,0,0,0|2,0,0]=4 1072 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200025704644 [0,1,1,0,0,0|2,0,0]=4 1073 B13R1.643 C=Cc1cccc(c1)/C=C/C(=O)C 271570a_100011290941_200016266566 [0,1,1,0,0,0|1,0,1]=4 1074 B13R1.643 CC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200016266566_200025704644 [0,1,1,0,0,0|1,0,0]=3 1075 B13R1.643 CC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200025704644_200016266566 [0,1,1,0,0,0|1,0,0]=3 1076 B13R1.643 CC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_200000210301 [0,1,1,0,0,0|1,0,1]=4 1077 B13R1.643 CC(O)C=Cc1cccc(c1)CF 271570a_200011019289_100010878472 [0,1,1,0,0,0|1,0,1]=4 1078 B13R1.643 CC(O)C=Cc1cccc(c1)CN 271570a_200011019289_100000106179 [0,1,1,0,0,0|1,0,1]=4 1079 B13R1.643 CC(O)C=Cc1cccc(c1)CO 271570a_200011019289_100000687537 [0,1,1,0,0,0|1,0,1]=4 1080 B13R1.643 CCc1cccc(c1)C=CC(C)O 271570a_200011019289_100000684523 [0,1,1,0,0,0|1,0,1]=4 1081 B13R1.643 CNc1cccc(c1)C=CC(C)O 271570a_200011019289_100000219648 [0,1,1,0,0,0|1,0,1]=4 1082 B13R1.643 COc1cccc(c1)C=CC(C)O 271570a_200011019289_100000170001 [0,1,1,0,0,0|1,0,1]=4 1083 B13R1.643 CSc1cccc(c1)/C=C/C(=O)C 62a_200000210301_200016266566 [0,1,1,0,0,0|1,0,0]=3 1084 B13R1.643 CSc1cccc(c1)/C=C/C(=O)C 62a_200016266566_200000210301 [0,1,1,0,0,0|1,0,0]=3 1085 B13R1.643 CSc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215954 [0,1,1,0,0,0|1,0,1]=4 1086 B13R1.643 [13CH3]C(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_200025704644 [0,1,1,0,0,0|1,0,1]=4 1087 B13R1.838 Cc1cccc(c1)C=CC(C)(C)O 271570a_200016258132_100011215228 [0,1,1,0,0,0|1,0,1]=4 1088 B13R1.893 CC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200000210301 [0,1,1,0,0,0|2,0,0]=4 1089 B13R1.893 CC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200000210301 [0,1,1,0,0,0|2,0,0]=4 1090 B13R1.893 CC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200000210301 [0,1,1,0,0,0|2,0,0]=4 1091 B13R1.893 CC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_200000210301 [0,1,1,0,0,0|1,0,0]=3 1092 B13R1.893 CC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200000210301 [0,1,1,0,0,0|2,0,0]=4 1093 B13R1.893 Cc1ccc(c(c1)C=CC(=O)[13CH3])F 1458a_100102526132_200025704644 [0,1,1,0,0,0|1,0,0]=3 1094 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)Br 271570a_200011019289_100012353751 [0,1,1,0,0,0|1,0,1]=4 1095 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)C 271570a_200011019289_100000210833 [0,1,1,0,0,0|1,0,1]=4 1096 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)Cl 271570a_200011019289_100012356289 [0,1,1,0,0,0|1,0,1]=4 1097 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)F 271570a_200011019289_100000736223 [0,1,1,0,0,0|1,0,1]=4 1098 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)N 271570a_200011019289_100000210942 [0,1,1,0,0,0|1,0,1]=4 1099 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)O 271570a_200011019289_100000765521 [0,1,1,0,0,0|1,0,1]=4 1100 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200025704644 [0,1,1,0,0,0|2,0,0]=4 1101 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200025704644 [0,1,1,0,0,0|2,0,0]=4 1102 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200025704644 [0,1,1,0,0,0|2,0,0]=4 1103 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200025704644 [0,1,1,0,0,0|2,0,0]=4 1104 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)C)C 1458a_100016257640_200000210301 [0,1,1,0,0,0|1,0,0]=3 1105 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_200000210301 [0,1,1,0,0,0|2,0,0]=4 1106 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_200000210301 [0,1,1,0,0,0|2,0,0]=4 1107 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)F)C 1458a_100102526130_200000210301 [0,1,1,0,0,0|1,0,0]=3 1108 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_200000210301 [0,1,1,0,0,0|2,0,0]=4 1109 B13R1.3420 Cc1cc(cc(c1)C=CC(=O)[13CH3])C 1458a_100016257640_200025704644 [0,1,1,0,0,0|1,0,0]=3 1110 B13R1.3420 Cc1cc(cc(c1)C=CC(=O)[13CH3])F 1458a_100102526130_200025704644 [0,1,1,0,0,0|1,0,0]=3 1111 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)C 271570a_200011019289_100011215608 [0,1,1,0,0,0|1,0,1]=4 1112 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)Cl 271570a_200011019289_100010172791 [0,1,1,0,0,0|1,0,1]=4 1113 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)F 271570a_200011019289_100011356977 [0,1,1,0,0,0|1,0,1]=4 1114 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)N 271570a_200011019289_100000695972 [0,1,1,0,0,0|1,0,1]=4 1115 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)O 271570a_200011019289_100011999630 [0,1,1,0,0,0|1,0,1]=4 1116 B13R1.3420 [13CH3]C(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_200025704644 [0,1,1,0,0,0|2,0,0]=4 1117 B13R1.3420 [13CH3]C(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_200025704644 [0,1,1,0,0,0|2,0,0]=4 1118 B13R1.3420 [13CH3]C(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_200025704644 [0,1,1,0,0,0|2,0,0]=4 1119 B13R1.653 CC(=O)Oc1ccc(cc1F)S[13CH3] 62a_100009811628_200025704644 [0,1,1,0,0,0|1,0,1]=4 1120 B13R1.653 CC(=O)Oc1ccc(cc1F)S[13CH3] 62a_200025704644_100009811628 [0,1,1,0,0,0|1,0,1]=4 1121 B13R1.653 CSc1ccc(c(c1)F)OC(=O)C 62a_100009811628_200000210301 [0,1,1,0,0,0|1,0,1]=4 1122 B13R1.653 CSc1ccc(c(c1)F)OC(=O)C 62a_200000210301_100009811628 [0,1,1,0,0,0|1,0,1]=4 1123 B13R1.123 Cc1cc(c(c(c1)NCC=O)O)C 34a_100011216242_200009817547 [0,1,1,0,0,0|1,0,1]=4 1124 B13R1.123 Cc1cc(c(c(c1)NCC=O)O)C 7a_100011216242_200015260668 [0,1,1,0,0,0|1,0,1]=4 1125 B13R1.123 Cc1cc(c(c(c1)SCC=O)O)C 62a_100011934984_200015260668 [0,1,1,0,0,0|1,0,1]=4 1126 B13R1.123 Cc1cc(c(c(c1)SCC=O)O)C 62a_200015260668_100011934984 [0,1,1,0,0,0|1,0,1]=4 1127 B13R1.123 Cc1cc(c(c(c1)SCC=O)O)F 62a_200015260668_200135191068 [0,1,1,0,0,0|1,0,1]=4 1128 B13R1.123 Cc1cc(c(c(c1)SCC=O)O)F 62a_200135191068_200015260668 [0,1,1,0,0,0|1,0,1]=4 1129 B13R1.446 C=CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210623 [0,1,1,0,0,0|1,0,1]=4 1130 B13R1.556 COc1ccc(cc1NCC=O)C 2230a_100000210980_200015260668 [0,1,1,0,0,0|1,0,1]=4 1131 B13R1.556 COc1ccc(cc1NCC=O)C 34a_100000210980_200009817547 [0,1,1,0,0,0|1,0,1]=4 1132 B13R1.556 COc1ccc(cc1OCC=O)C 34a_100011216497_200009817547 [0,1,1,0,0,0|1,0,1]=4 1133 B13R1.556 COc1ccc(cc1OCC=O)C 7a_100011216497_200015260668 [0,1,1,0,0,0|1,0,1]=4 1134 B13R1.556 COc1ccc(cc1SCC=O)C 62a_100000186399_200015260668 [0,1,1,0,0,0|1,0,1]=4 1135 B13R1.556 COc1ccc(cc1SCC=O)C 62a_200015260668_100000186399 [0,1,1,0,0,0|1,0,1]=4 1136 B13R1.556 Cc1ccc(c(c1)NCC=O)CO 34a_100000087799_200009817547 [0,1,1,0,0,0|1,0,1]=4 1137 B13R1.558 CCc1ccc(c(c1)NCC=O)O 34a_100000765835_200009817547 [0,1,1,0,0,0|1,0,1]=4 1138 B13R1.558 CCc1ccc(c(c1)SCC=O)O 62a_100012339963_200015260668 [0,1,1,0,0,0|1,0,1]=4 1139 B13R1.558 CCc1ccc(c(c1)SCC=O)O 62a_200015260668_100012339963 [0,1,1,0,0,0|1,0,1]=4 1140 B13R1.558 COc1ccc(c(c1)NCC=O)O 34a_100000188146_200009817547 [0,1,1,0,0,0|1,0,1]=4 1141 B13R1.558 COc1ccc(c(c1)SCC=O)O 62a_200015260668_100000685887 [0,1,1,0,0,0|1,0,1]=4 1142 B13R1.558 O=CCNc1cc(ccc1O)CO 34a_100000123545_200009817547 [0,1,1,0,0,0|1,0,1]=4 1143 B13R1.558 O=CCSc1cc(ccc1O)CO 62a_100011191544_200015260668 [0,1,1,0,0,0|1,0,1]=4 1144 B13R1.558 O=CCSc1cc(ccc1O)CO 62a_200015260668_100011191544 [0,1,1,0,0,0|1,0,1]=4 1145 B13R1.656 C/C=C/CNc1cc(ccc1O)C 34a_100011215204_100102629194 [0,1,1,0,0,0|1,0,1]=4 1146 B13R1.656 C/C=C/CSc1cc(ccc1O)C 62a_100000765521_100102629194 [0,1,1,0,0,0|1,0,1]=4 1147 B13R1.656 C/C=C/CSc1cc(ccc1O)C 62a_100102629194_100000765521 [0,1,1,0,0,0|1,0,1]=4 1148 B13R1.656 CC=CCNc1cc(ccc1O)C 34a_100011215204_100000070051 [0,1,1,0,0,0|1,0,1]=4 1149 B13R1.656 CC=CCSc1cc(ccc1O)C 62a_100000070051_100000765521 [0,1,1,0,0,0|1,0,1]=4 1150 B13R1.656 CC=CCSc1cc(ccc1O)C 62a_100000765521_100000070051 [0,1,1,0,0,0|1,0,1]=4 1151 B13R1.656 CCCC=Cc1cc(ccc1O)C 271570a_100016258520_100000765521 [0,1,1,0,0,0|1,0,1]=4 1152 B13R1.656 CCOC=Cc1cc(ccc1O)C 271570a_100016256518_100000765521 [0,1,1,0,0,0|1,0,1]=4 1153 B13R1.656 COCC=Cc1cc(ccc1O)C 271570a_100016286323_100000765521 [0,1,1,0,0,0|0,0,2]=4 1154 B13R1.1630 Cc1cc(c(cc1Br)O)NCC=O 34a_200010107346_200009817547 [0,1,1,0,0,0|1,0,1]=4 1155 B13R1.1630 Cc1cc(c(cc1C)NCC=O)O 34a_100133014134_200009817547 [0,1,1,0,0,0|1,0,1]=4 1156 B13R1.1630 Cc1cc(c(cc1C)NCC=O)O 7a_100133014134_200015260668 [0,1,1,0,0,0|1,0,1]=4 1157 B13R1.1630 Cc1cc(c(cc1C)SCC=O)O 62a_100009814663_200015260668 [0,1,1,0,0,0|1,0,1]=4 1158 B13R1.1630 Cc1cc(c(cc1C)SCC=O)O 62a_200015260668_100009814663 [0,1,1,0,0,0|1,0,1]=4 1159 B13R1.1630 Cc1cc(c(cc1F)O)NCC=O 34a_100012022779_200009817547 [0,1,1,0,0,0|1,0,1]=4 1160 B13R1.1630 Cc1cc(c(cc1F)O)NCC=O 7a_100012022779_200015260668 [0,1,1,0,0,0|1,0,1]=4 1161 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000185746 [0,1,1,0,0,0|2,0,0]=4 1162 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [1,1,0,0,0,0|1,0,1]=4 1163 B13R2.32 Cc1c(ccc2c1cccn2)O 271570a_203496583355_200010137439 [1,1,0,0,0,0|2,0,0]=4 1164 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [1,1,0,0,0,0|1,0,0]=3 1165 B13R2.32 Cc1ccc2cnccc2c1O 271570a_203496583355_100010204589 [1,1,0,0,0,0|2,0,0]=4 1166 B13R2.32 Cc1cnc2ccccc2c1O 271570a_203496583355_100000092342 [1,1,0,0,0,0|2,0,0]=4 1167 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [1,1,0,0,0,0|1,0,1]=4 1168 B13R2.32 Nc1c(ccc2c1cccn2)O 271570a_203496583355_200010235790 [1,1,0,0,0,0|2,0,0]=4 1169 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [1,1,0,0,0,0|2,0,0]=4 1170 B13R2.32 Nc1ccc2ncccc2c1O 271570a_203496583355_200009995563 [1,1,0,0,0,0|2,0,0]=4 1171 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [1,1,0,0,0,0|2,0,0]=4 1172 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [1,1,0,0,0,0|1,0,1]=4 1173 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [1,1,0,0,0,0|1,0,1]=4 1174 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [1,1,0,0,0,0|1,0,1]=4 1175 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [1,1,0,0,0,0|1,0,1]=4 1176 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [1,1,0,0,0,0|1,0,1]=4 1177 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [1,1,0,0,0,0|2,0,0]=4 1178 B13R2.57 C=Cc1ccc2ncccc2c1 271570a_100011290941_100000754243 [1,1,0,0,0,0|1,0,1]=4 1179 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [1,1,0,0,0,0|1,0,0]=3 1180 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [1,1,0,0,0,0|1,0,0]=3 1181 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [1,1,0,0,0,0|2,0,0]=4 1182 B13R2.57 CNc1ccc2cccnc2c1 34a_100102887122_200000210301 [1,1,0,0,0,0|2,0,0]=4 1183 B13R2.57 CNc1ccc2cnccc2c1 34a_100000039641_200000210301 [1,1,0,0,0,0|2,0,0]=4 1184 B13R2.57 CNc1ccc2ncccc2c1 34a_100011198106_200000210301 [1,1,0,0,0,0|1,0,0]=3 1185 B13R2.57 CNc1ccc2ncccc2n1 27a_100102657272_100000073381 [1,1,0,0,0,0|2,0,0]=4 1186 B13R2.57 CNc1ccc2nccnc2c1 27a_100102657272_100011219451 [1,1,0,0,0,0|2,0,0]=4 1187 B13R2.57 CNc1ccc2nccnc2c1 34a_100011219565_200000210301 [1,1,0,0,0,0|2,0,0]=4 1188 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [1,1,0,0,0,0|1,0,0]=3 1189 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [1,1,0,0,0,0|1,0,0]=3 1190 B13R2.57 COc1ccc2cccnc2c1 34a_100011216045_200000210301 [1,1,0,0,0,0|2,0,0]=4 1191 B13R2.57 COc1ccc2ccncc2c1 7a_100000752006_200000210301 [1,1,0,0,0,0|2,0,0]=4 1192 B13R2.57 COc1ccc2cnccc2c1 34a_100000046372_200000210301 [1,1,0,0,0,0|2,0,0]=4 1193 B13R2.57 COc1ccc2cnccc2c1 7a_100000046372_200000210301 [1,1,0,0,0,0|2,0,0]=4 1194 B13R2.57 COc1ccc2ncccc2c1 34a_100011215586_200000210301 [1,1,0,0,0,0|1,0,0]=3 1195 B13R2.57 COc1ccc2ncccc2c1 7a_100011215586_200000210301 [1,1,0,0,0,0|1,0,0]=3 1196 B13R2.57 COc1ccc2nccnc2c1 34a_100000694412_200000210301 [1,1,0,0,0,0|2,0,0]=4 1197 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [1,1,0,0,0,0|2,0,0]=4 1198 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [1,1,0,0,0,0|2,0,0]=4 1199 B13R2.57 CSc1cc2ccccc2cn1 62a_100009816522_200000210301 [1,1,0,0,0,0|2,0,0]=4 1200 B13R2.57 CSc1cc2ccccc2cn1 62a_200000210301_100000047361 [1,1,0,0,0,0|2,0,0]=4 1201 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [1,1,0,0,0,0|1,0,0]=3 1202 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [1,1,0,0,0,0|1,1,0]=4 1203 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [1,1,0,0,0,0|1,1,0]=4 1204 B13R2.57 CSc1ccc2cccnc2c1 62a_200000210301_100009816655 [1,1,0,0,0,0|2,0,0]=4 1205 B13R2.57 CSc1ccc2ccncc2c1 62a_100000686496_200000210301 [1,1,0,0,0,0|2,0,0]=4 1206 B13R2.57 CSc1ccc2ccncc2c1 62a_200000210301_100000686496 [1,1,0,0,0,0|2,0,0]=4 1207 B13R2.57 CSc1ccc2cnccc2c1 62a_100009816743_200000210301 [1,1,0,0,0,0|2,0,0]=4 1208 B13R2.57 CSc1ccc2cnccc2c1 62a_200000210301_100009816743 [1,1,0,0,0,0|2,0,0]=4 1209 B13R2.57 CSc1ccc2ncccc2c1 62a_100011215947_200000210301 [1,1,0,0,0,0|1,0,0]=3 1210 B13R2.57 CSc1ccc2ncccc2c1 62a_200000210301_100011215947 [1,1,0,0,0,0|1,0,0]=3 1211 B13R2.57 CSc1ccc2ncccc2n1 62a_200000210301_100000073381 [1,1,0,0,0,0|2,0,0]=4 1212 B13R2.57 CSc1ccc2nccnc2c1 62a_100011219451_200000210301 [1,1,0,0,0,0|2,0,0]=4 1213 B13R2.57 CSc1ccc2nccnc2c1 62a_200000210301_100011219451 [1,1,0,0,0,0|2,0,0]=4 1214 B13R2.57 CSc1ccc2ncncc2c1 62a_100009989443_200000210301 [1,1,0,0,0,0|2,0,0]=4 1215 B13R2.57 CSc1ccc2ncncc2c1 62a_200000210301_100009989443 [1,1,0,0,0,0|2,0,0]=4 1216 B13R2.57 CSc1ccc2nnccc2c1 62a_100010209549_200000210301 [1,1,0,0,0,0|2,0,0]=4 1217 B13R2.57 CSc1ccc2nnccc2c1 62a_200000210301_100010209549 [1,1,0,0,0,0|2,0,0]=4 1218 B13R2.57 CSc1cnc2ccccc2c1 62a_200000210301_100000737414 [1,1,0,0,0,0|2,0,0]=4 1219 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [1,1,0,0,0,0|1,0,0]=3 1220 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [1,1,0,0,0,0|1,0,0]=3 1221 B13R2.57 [13CH3]Nc1ccc2cccnc2c1 34a_100102887122_200025704644 [1,1,0,0,0,0|2,0,0]=4 1222 B13R2.57 [13CH3]Nc1ccc2cnccc2c1 34a_100000039641_200025704644 [1,1,0,0,0,0|2,0,0]=4 1223 B13R2.57 [13CH3]Nc1ccc2ncccc2c1 34a_100011198106_200025704644 [1,1,0,0,0,0|1,0,0]=3 1224 B13R2.57 [13CH3]Nc1ccc2nccnc2c1 34a_100011219565_200025704644 [1,1,0,0,0,0|2,0,0]=4 1225 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [1,1,0,0,0,0|1,0,0]=3 1226 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [1,1,0,0,0,0|1,0,0]=3 1227 B13R2.57 [13CH3]Oc1ccc2cccnc2c1 34a_100011216045_200025704644 [1,1,0,0,0,0|2,0,0]=4 1228 B13R2.57 [13CH3]Oc1ccc2ccncc2c1 7a_100000752006_200025704644 [1,1,0,0,0,0|2,0,0]=4 1229 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 34a_100000046372_200025704644 [1,1,0,0,0,0|2,0,0]=4 1230 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 7a_100000046372_200025704644 [1,1,0,0,0,0|2,0,0]=4 1231 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 34a_100011215586_200025704644 [1,1,0,0,0,0|1,0,0]=3 1232 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 7a_100011215586_200025704644 [1,1,0,0,0,0|1,0,0]=3 1233 B13R2.57 [13CH3]Oc1ccc2nccnc2c1 34a_100000694412_200025704644 [1,1,0,0,0,0|2,0,0]=4 1234 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [1,1,0,0,0,0|2,0,0]=4 1235 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [1,1,0,0,0,0|2,0,0]=4 1236 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_100009816522_200025704644 [1,1,0,0,0,0|2,0,0]=4 1237 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_200025704644_100000047361 [1,1,0,0,0,0|2,0,0]=4 1238 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [1,1,0,0,0,0|1,0,0]=3 1239 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [1,1,0,0,0,0|1,1,0]=4 1240 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [1,1,0,0,0,0|1,1,0]=4 1241 B13R2.57 [13CH3]Sc1ccc2cccnc2c1 62a_200025704644_100009816655 [1,1,0,0,0,0|2,0,0]=4 1242 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_100000686496_200025704644 [1,1,0,0,0,0|2,0,0]=4 1243 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_200025704644_100000686496 [1,1,0,0,0,0|2,0,0]=4 1244 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_100009816743_200025704644 [1,1,0,0,0,0|2,0,0]=4 1245 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_200025704644_100009816743 [1,1,0,0,0,0|2,0,0]=4 1246 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_100011215947_200025704644 [1,1,0,0,0,0|1,0,0]=3 1247 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_200025704644_100011215947 [1,1,0,0,0,0|1,0,0]=3 1248 B13R2.57 [13CH3]Sc1ccc2ncccc2n1 62a_200025704644_100000073381 [1,1,0,0,0,0|2,0,0]=4 1249 B13R2.57 [13CH3]Sc1ccc2nccnc2c1 62a_100011219451_200025704644 [1,1,0,0,0,0|2,0,0]=4 1250 B13R2.57 [13CH3]Sc1ccc2nccnc2c1 62a_200025704644_100011219451 [1,1,0,0,0,0|2,0,0]=4 1251 B13R2.57 [13CH3]Sc1ccc2ncncc2c1 62a_100009989443_200025704644 [1,1,0,0,0,0|2,0,0]=4 1252 B13R2.57 [13CH3]Sc1ccc2ncncc2c1 62a_200025704644_100009989443 [1,1,0,0,0,0|2,0,0]=4 1253 B13R2.57 [13CH3]Sc1ccc2nnccc2c1 62a_100010209549_200025704644 [1,1,0,0,0,0|2,0,0]=4 1254 B13R2.57 [13CH3]Sc1ccc2nnccc2c1 62a_200025704644_100010209549 [1,1,0,0,0,0|2,0,0]=4 1255 B13R2.57 [13CH3]Sc1cnc2ccccc2c1 62a_200025704644_100000737414 [1,1,0,0,0,0|2,0,0]=4 1256 B13R2.155 Cc1ccc2ccc(cc2n1)O 271570a_203496583355_100009817087 [1,1,0,0,0,0|2,0,0]=4 1257 B13R2.155 Cc1ccc2ncc(cc2c1)O 271570a_203496583355_100015841224 [1,1,0,0,0,0|1,0,0]=3 1258 B13R2.155 Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100009817055 [1,1,0,0,0,0|2,0,0]=4 1259 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [1,1,0,0,0,0|1,0,1]=4 1260 B13R2.155 Nc1ccc2ccc(cc2n1)O 271570a_203496583355_100010187616 [1,1,0,0,0,0|2,0,0]=4 1261 B13R2.155 Nc1ccc2ncc(cc2c1)O 271570a_203496583355_100009888932 [1,1,0,0,0,0|2,0,0]=4 1262 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [1,1,0,0,0,0|0,0,0]=2 1263 B13R2.155 O=c1ccc2cnc(cc2[nH]1)O 271570a_203496583355_100010563892 [1,1,0,0,0,0|2,0,0]=4 1264 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [1,1,0,0,0,0|1,0,1]=4 1265 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [1,1,0,0,0,0|1,0,1]=4 1266 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [1,1,0,0,0,0|1,0,1]=4 1267 B13R2.155 Oc1ccc2ncc(cc2c1)Br 271570a_203496583355_200010254249 [1,1,0,0,0,0|2,0,0]=4 1268 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100000703654 [1,1,0,0,0,0|2,0,0]=4 1269 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010137430 [1,1,0,0,0,0|2,0,0]=4 1270 B13R2.155 Oc1cnc2ccc(cc2c1)Br 271570a_203496583355_100010740133 [1,1,0,0,0,0|2,0,0]=4 1271 B13R2.155 Oc1cnc2ccc(cc2c1)Cl 271570a_203496583355_100015929906 [1,1,0,0,0,0|2,0,0]=4 1272 B13R2.162 Cc1ccc2cccc(c2n1)O 271570a_203496583355_100011934484 [1,1,0,0,0,0|2,0,0]=4 1273 B13R2.162 Cc1ccc2cncc(c2c1)O 271570a_203496583355_100009817139 [1,1,0,0,0,0|2,0,0]=4 1274 B13R2.162 Cc1ccc2nccc(c2c1)O 271570a_203496583355_100000751279 [1,1,0,0,0,0|1,0,0]=3 1275 B13R2.162 Cc1ccc2nccc(c2n1)O 271570a_203496583355_100009889967 [1,1,0,0,0,0|2,0,0]=4 1276 B13R2.162 Cc1ccc2ncnc(c2c1)O 271570a_203496583355_100000743341 [1,1,0,0,0,0|2,0,0]=4 1277 B13R2.162 Cc1cccc2c1cc(cc2)O 271570a_203496583355_100010089936 [1,1,0,0,0,0|1,0,1]=4 1278 B13R2.162 Cc1cccc2c1nc(cc2)O 271570a_203496583355_100012002297 [1,1,0,0,0,0|1,0,1]=4 1279 B13R2.162 Cc1ccnc2c1cc(cc2)O 271570a_203496583355_100009817033 [1,1,0,0,0,0|2,0,0]=4 1280 B13R2.162 Nc1ccc2cccc(c2n1)O 271570a_203496583355_100000687151 [1,1,0,0,0,0|2,0,0]=4 1281 B13R2.162 Nc1ccc2nccc(c2c1)O 271570a_203496583355_100009879071 [1,1,0,0,0,0|2,0,0]=4 1282 B13R2.162 Nc1cccc2c1cc(cc2)O 271570a_203496583355_100010090012 [1,1,0,0,0,0|1,0,1]=4 1283 B13R2.162 Nc1ccnc2c1cc(cc2)O 271570a_203496583355_100011620571 [1,1,0,0,0,0|2,0,0]=4 1284 B13R2.162 O=c1cc[nH]c2c1cc(cc2)O 271570a_203496583355_100000746092 [1,1,0,0,0,0|2,0,0]=4 1285 B13R2.162 O=c1ccc2cccc(c2[nH]1)O 271570a_203496583355_100000688906 [1,1,0,0,0,0|1,0,0]=3 1286 B13R2.162 O=c1ccoc2c1cc(cc2)O 271570a_203496583355_100009813387 [1,1,0,0,0,0|1,0,0]=3 1287 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010089991 [1,1,0,0,0,0|1,0,1]=4 1288 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010169565 [1,1,0,0,0,0|1,0,1]=4 1289 B13R2.162 Oc1ccc2cccc(c2n1)F 271570a_203496583355_100012017632 [1,1,0,0,0,0|1,0,1]=4 1290 B13R2.162 Oc1ccc2cccc(c2n1)O 271570a_203496583355_100010153751 [1,1,0,0,0,0|1,0,1]=4 1291 B13R2.162 Oc1ccc2nccc(c2c1)Cl 271570a_203496583355_100011310491 [1,1,0,0,0,0|2,0,0]=4 1292 B13R2.162 Oc1ccc2nccc(c2c1)O 271570a_203496583355_100000075933 [1,1,0,0,0,0|2,0,0]=4 1293 B13R2.162 Oc1ccnc2c1cc(cc2)Br 271570a_203496583355_100010189052 [1,1,0,0,0,0|2,0,0]=4 1294 B13R2.162 Oc1ccnc2c1cc(cc2)F 271570a_203496583355_100011217270 [1,1,0,0,0,0|2,0,0]=4 1295 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [1,1,0,0,0,0|2,0,0]=4 1296 B13R2.328 Cc1cc(c2ncccc2c1)O 271570a_203496583355_100010113427 [1,1,0,0,0,0|1,0,0]=3 1297 B13R2.328 Cc1cc(cc2c1nccc2)O 271570a_203496583355_100010130319 [1,1,0,0,0,0|2,0,0]=4 1298 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [1,1,0,0,0,0|1,0,1]=4 1299 B13R2.328 Cc1cc2ccccc2c(n1)O 271570a_203496583355_100000698243 [1,1,0,0,0,0|2,0,0]=4 1300 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [1,1,0,0,0,0|2,0,0]=4 1301 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [1,1,0,0,0,0|1,0,1]=4 1302 B13R2.328 Nc1cc(cc2c1nccc2)O 271570a_203496583355_100009814519 [1,1,0,0,0,0|2,0,0]=4 1303 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [1,1,0,0,0,0|1,0,1]=4 1304 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [1,1,0,0,0,0|1,0,1]=4 1305 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [1,1,0,0,0,0|1,0,0]=3 1306 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [1,1,0,0,0,0|2,0,0]=4 1307 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [1,1,0,0,0,0|1,0,1]=4 1308 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [1,1,0,0,0,0|1,0,1]=4 1309 B13R2.328 Oc1cc(c2ncccc2c1)Cl 271570a_203496583355_200010369337 [1,1,0,0,0,0|2,0,0]=4 1310 B13R2.328 Oc1cc(c2ncccc2c1)F 271570a_203496583355_100010234705 [1,1,0,0,0,0|2,0,0]=4 1311 B13R2.328 Oc1cc(c2ncccc2c1)O 271570a_203496583355_100010248853 [1,1,0,0,0,0|2,0,0]=4 1312 B13R2.328 Oc1cc(cc2c1nccc2)Br 271570a_203496583355_100010090713 [1,1,0,0,0,0|2,0,0]=4 1313 B13R2.328 Oc1cc(cc2c1nccc2)F 271570a_203496583355_100010214460 [1,1,0,0,0,0|2,0,0]=4 1314 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [1,1,0,0,0,0|1,0,1]=4 1315 B13R2.369 Cc1cc2cccnc2nc1O 271570a_203496583355_100009877248 [1,1,0,0,0,0|2,0,0]=4 1316 B13R2.369 Cc1cc2ncccc2cc1O 271570a_203496583355_100010137429 [1,1,0,0,0,0|2,0,0]=4 1317 B13R2.369 Cc1cc2nccnc2cc1O 271570a_203496583355_100010080479 [1,1,0,0,0,0|2,0,0]=4 1318 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [1,1,0,0,0,0|1,0,1]=4 1319 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [1,1,0,0,0,0|2,0,0]=4 1320 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [1,1,0,0,0,0|0,0,0]=2 1321 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [1,1,0,0,0,0|1,0,1]=4 1322 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [1,1,0,0,0,0|1,0,1]=4 1323 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [1,1,0,0,0,0|1,0,1]=4 1324 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [1,1,0,0,0,0|2,0,0]=4 1325 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [1,1,0,0,0,0|2,0,0]=4 1326 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [1,1,0,0,0,0|1,0,1]=4 1327 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [1,1,0,0,0,0|1,0,1]=4 1328 B13R2.369 Oc1cc2cccnc2cc1F 271570a_203496583355_100009854028 [1,1,0,0,0,0|2,0,0]=4 1329 B13R2.369 Oc1cc2cccnc2cc1O 271570a_203496583355_200010153759 [1,1,0,0,0,0|2,0,0]=4 1330 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [1,1,0,0,0,0|1,0,1]=4 1331 B13R2.5179 Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010173736 [1,1,0,0,0,0|2,0,0]=4 1332 B13R2.5179 Cc1ccc2c(nccc2c1)O 271570a_203496583355_100000102439 [1,1,0,0,0,0|2,0,0]=4 1333 B13R2.5179 Nc1ccc2c(cccc2n1)O 271570a_203496583355_100000723655 [1,1,0,0,0,0|2,0,0]=4 1334 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [1,1,0,0,0,0|1,0,1]=4 1335 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [1,1,0,0,0,0|0,0,2]=4 1336 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [1,1,0,0,0,0|1,0,0]=3 1337 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [1,1,0,0,0,0|1,0,1]=4 1338 B13R2.43 CCc1cc2cc(ccc2o1)O 271570a_203496583355_200010233821 [0,1,0,0,1,0|2,0,0]=4 1339 B13R2.43 O=Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009820874 [0,1,0,0,1,0|2,0,0]=4 1340 B13R2.43 O=Cc1cc2cc(ccc2o1)O 271570a_203496583355_100000755920 [0,1,0,0,1,0|1,0,0]=3 1341 B13R2.43 O=Cc1cc2cc(ccc2s1)O 271570a_203496583355_100010238522 [0,1,0,0,1,0|1,1,0]=4 1342 B13R2.43 OCc1cc2cc(ccc2o1)O 271570a_203496583355_100011934623 [0,1,0,0,1,0|1,0,1]=4 1343 B13R2.2121 C=Cc1ccc2oc(=O)[nH]c2c1 271570a_100011290941_100000764829 [0,1,0,0,1,0|1,0,1]=4 1344 B13R2.2121 CNc1ccc2oc(nc2c1)C 34a_100000195416_200000210301 [0,1,0,0,1,0|2,0,0]=4 1345 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200000210301 [0,1,0,0,1,0|2,0,0]=4 1346 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 34a_100000073708_200000210301 [0,1,0,0,1,0|2,0,0]=4 1347 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 7a_100000073708_200000210301 [0,1,0,0,1,0|2,0,0]=4 1348 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 34a_100000035078_200000210301 [0,1,0,0,1,0|0,0,1]=3 1349 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 7a_100000035078_200000210301 [0,1,0,0,1,0|0,0,1]=3 1350 B13R2.2121 COc1ccc2oc(nc2c1)C 34a_100000102623_200000210301 [0,1,0,0,1,0|2,0,0]=4 1351 B13R2.2121 COc1ccc2oc(nc2c1)C 7a_100000102623_200000210301 [0,1,0,0,1,0|2,0,0]=4 1352 B13R2.2121 COc1ccc2oc(nc2c1)Cl 34a_100010673232_200000210301 [0,1,0,0,1,0|2,0,0]=4 1353 B13R2.2121 COc1ccc2oc(nc2c1)Cl 7a_100010673232_200000210301 [0,1,0,0,1,0|2,0,0]=4 1354 B13R2.2121 CSc1ccc2[nH]c(=O)[nH]c2c1 62a_200000210301_200011356815 [0,1,0,0,1,0|2,0,0]=4 1355 B13R2.2121 CSc1ccc2[nH]c(=O)oc2c1 62a_200000210301_100000697996 [0,1,0,0,1,0|2,0,0]=4 1356 B13R2.2121 CSc1ccc2[nH]c(cc2c1)C 62a_200000210301_100011214893 [0,1,0,0,1,0|2,0,0]=4 1357 B13R2.2121 CSc1ccc2c(c1)CC(=O)C2 62a_100010185598_200000210301 [0,1,0,0,1,0|1,0,1]=4 1358 B13R2.2121 CSc1ccc2c(c1)CC(=O)N2 62a_200000210301_100000754858 [0,1,0,0,1,0|1,0,1]=4 1359 B13R2.2121 CSc1ccc2c(c1)NC(=O)C2 62a_200000210301_100000760487 [0,1,0,0,1,0|2,0,0]=4 1360 B13R2.2121 CSc1ccc2oc(nc2c1)C 62a_200000210301_100009816932 [0,1,0,0,1,0|2,0,0]=4 1361 B13R2.2121 CSc1ccc2sc(cc2c1)C 62a_100000695401_200000210301 [0,1,0,0,1,0|1,1,0]=4 1362 B13R2.2121 CSc1ccc2sc(cc2c1)C 62a_200000210301_100000695401 [0,1,0,0,1,0|1,1,0]=4 1363 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 34a_100000073708_200025704644 [0,1,0,0,1,0|2,0,0]=4 1364 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 7a_100000073708_200025704644 [0,1,0,0,1,0|2,0,0]=4 1365 B13R2.2121 Cc1cc2cc(ccc2[nH]1)S[13CH3] 62a_200025704644_100011214893 [0,1,0,0,1,0|2,0,0]=4 1366 B13R2.2121 Cc1cc2cc(ccc2s1)S[13CH3] 62a_100000695401_200025704644 [0,1,0,0,1,0|1,1,0]=4 1367 B13R2.2121 Cc1cc2cc(ccc2s1)S[13CH3] 62a_200025704644_100000695401 [0,1,0,0,1,0|1,1,0]=4 1368 B13R2.2121 Cc1nc2cc(ccc2o1)N[13CH3] 34a_100000195416_200025704644 [0,1,0,0,1,0|2,0,0]=4 1369 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 34a_100000102623_200025704644 [0,1,0,0,1,0|2,0,0]=4 1370 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 7a_100000102623_200025704644 [0,1,0,0,1,0|2,0,0]=4 1371 B13R2.2121 Cc1nc2cc(ccc2o1)S[13CH3] 62a_200025704644_100009816932 [0,1,0,0,1,0|2,0,0]=4 1372 B13R2.2121 [13CH3]Oc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200025704644 [0,1,0,0,1,0|2,0,0]=4 1373 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 34a_100000035078_200025704644 [0,1,0,0,1,0|0,0,1]=3 1374 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 7a_100000035078_200025704644 [0,1,0,0,1,0|0,0,1]=3 1375 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 34a_100010673232_200025704644 [0,1,0,0,1,0|2,0,0]=4 1376 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 7a_100010673232_200025704644 [0,1,0,0,1,0|2,0,0]=4 1377 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)[nH]c2c1 62a_200025704644_200011356815 [0,1,0,0,1,0|2,0,0]=4 1378 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)oc2c1 62a_200025704644_100000697996 [0,1,0,0,1,0|2,0,0]=4 1379 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)C2 62a_100010185598_200025704644 [0,1,0,0,1,0|1,0,1]=4 1380 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)N2 62a_200025704644_100000754858 [0,1,0,0,1,0|1,0,1]=4 1381 B13R2.2121 [13CH3]Sc1ccc2c(c1)NC(=O)C2 62a_200025704644_100000760487 [0,1,0,0,1,0|2,0,0]=4 1382 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,0,1,0|2,0,0]=4 1383 B13R2.3050 Cc1ccc2c(c1O)CC(=O)N2 271570a_203496583355_100015548004 [0,1,0,0,1,0|1,0,1]=4 1384 B13R2.13083 Cc1cc2[nH]c(=O)[nH]c2cc1O 271570a_203496583355_100010107294 [0,1,0,0,1,0|2,0,0]=4 1385 B13R2.13083 Cc1cc2c(cc1O)CC(=O)N2 271570a_203496583355_100010201617 [0,1,0,0,1,0|2,0,0]=4 1386 B13R2.2130 C=Cc1ccc2c(c1)C=CC2=O 271570a_100011290941_100010210589 [0,1,0,0,1,0|0,0,1]=3 1387 B13R2.2130 CNc1ccc2c(c1)ccn2C 34a_100011270241_200000210301 [0,1,0,0,1,0|2,0,0]=4 1388 B13R2.2130 COc1ccc2c(c1)CCC2=O 34a_100000708912_200000210301 [0,1,0,0,1,0|0,0,2]=4 1389 B13R2.2130 COc1ccc2c(c1)CCC2=O 7a_100000708912_200000210301 [0,1,0,0,1,0|0,0,2]=4 1390 B13R2.2130 COc1ccc2c(c1)CNC2=O 34a_100000098542_200000210301 [0,1,0,0,1,0|1,0,1]=4 1391 B13R2.2130 COc1ccc2c(c1)COC2=O 7a_100000044543_200000210301 [0,1,0,0,1,0|1,0,1]=4 1392 B13R2.2130 CSc1ccc2c(=O)[nH][nH]c2c1 62a_200000210301_100012353722 [0,1,0,0,1,0|2,0,0]=4 1393 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_100010210589_200000210301 [0,1,0,0,1,0|0,0,0]=2 1394 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_200000210301_100010210589 [0,1,0,0,1,0|0,0,0]=2 1395 B13R2.2130 CSc1ccc2c(c1)CCC2=O 62a_100000737041_200000210301 [0,1,0,0,1,0|0,0,2]=4 1396 B13R2.2130 CSc1ccc2c(c1)CCC2=O 62a_200000210301_100000737041 [0,1,0,0,1,0|0,0,2]=4 1397 B13R2.2130 CSc1ccc2c(c1)CNC2=O 62a_100000692135_200000210301 [0,1,0,0,1,0|1,0,1]=4 1398 B13R2.2130 CSc1ccc2c(c1)CNC2=O 62a_200000210301_100000692135 [0,1,0,0,1,0|1,0,1]=4 1399 B13R2.2130 CSc1ccc2c(c1)COC2=O 62a_100009816608_200000210301 [0,1,0,0,1,0|1,0,1]=4 1400 B13R2.2130 CSc1ccc2c(c1)OCC2=O 62a_200000210301_100000686717 [0,1,0,0,1,0|1,0,1]=4 1401 B13R2.2130 CSc1ccc2c(c1)ccn2C 62a_200000210301_100011202928 [0,1,0,0,1,0|2,0,0]=4 1402 B13R2.2130 CSc1ccc2c(c[nH]c2c1)C 62a_200000210301_100010209589 [0,1,0,0,1,0|2,0,0]=4 1403 B13R2.2130 CSc1ccc2c(coc2c1)C 62a_200000210301_100010775837 [0,1,0,0,1,0|2,0,0]=4 1404 B13R2.2130 Cc1c[nH]c2c1ccc(c2)S[13CH3] 62a_200025704644_100010209589 [0,1,0,0,1,0|2,0,0]=4 1405 B13R2.2130 Cc1coc2c1ccc(c2)S[13CH3] 62a_200025704644_100010775837 [0,1,0,0,1,0|2,0,0]=4 1406 B13R2.2130 Cn1ccc2c1ccc(c2)N[13CH3] 34a_100011270241_200025704644 [0,1,0,0,1,0|2,0,0]=4 1407 B13R2.2130 Cn1ccc2c1ccc(c2)S[13CH3] 62a_200025704644_100011202928 [0,1,0,0,1,0|2,0,0]=4 1408 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 34a_100000708912_200025704644 [0,1,0,0,1,0|0,0,2]=4 1409 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 7a_100000708912_200025704644 [0,1,0,0,1,0|0,0,2]=4 1410 B13R2.2130 [13CH3]Oc1ccc2c(c1)CNC2=O 34a_100000098542_200025704644 [0,1,0,0,1,0|1,0,1]=4 1411 B13R2.2130 [13CH3]Oc1ccc2c(c1)COC2=O 7a_100000044543_200025704644 [0,1,0,0,1,0|1,0,1]=4 1412 B13R2.2130 [13CH3]Sc1ccc2c(=O)[nH][nH]c2c1 62a_200025704644_100012353722 [0,1,0,0,1,0|2,0,0]=4 1413 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_100010210589_200025704644 [0,1,0,0,1,0|0,0,0]=2 1414 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_200025704644_100010210589 [0,1,0,0,1,0|0,0,0]=2 1415 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2=O 62a_100000737041_200025704644 [0,1,0,0,1,0|0,0,2]=4 1416 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2=O 62a_200025704644_100000737041 [0,1,0,0,1,0|0,0,2]=4 1417 B13R2.2130 [13CH3]Sc1ccc2c(c1)CNC2=O 62a_100000692135_200025704644 [0,1,0,0,1,0|1,0,1]=4 1418 B13R2.2130 [13CH3]Sc1ccc2c(c1)CNC2=O 62a_200025704644_100000692135 [0,1,0,0,1,0|1,0,1]=4 1419 B13R2.2130 [13CH3]Sc1ccc2c(c1)COC2=O 62a_100009816608_200025704644 [0,1,0,0,1,0|1,0,1]=4 1420 B13R2.2130 [13CH3]Sc1ccc2c(c1)OCC2=O 62a_200025704644_100000686717 [0,1,0,0,1,0|1,0,1]=4 1421 B13R2.5180 Cc1ccc2c(c1O)CCC2=O 271570a_203496583355_100010133459 [0,1,0,0,1,0|0,0,2]=4 1422 B13R2.5187 O=C1CC(=O)c2c1ccc(c2)O 271570a_203496583355_100009997049 [0,1,0,0,1,0|1,0,1]=4 1423 B13R2.5187 O=C1NC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185758 [0,1,0,0,1,0|2,0,0]=4 1424 B13R2.5187 O=C1OC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185860 [0,1,0,0,1,0|2,0,0]=4 1425 B13R2.11634 Cc1cc2c(cc1O)C(=O)CC2 271570a_203496583355_100010133461 [0,1,0,0,1,0|0,0,2]=4 1426 B15R2.1754 CSc1cc2ccc(cc2cc1O)O 62a_200000210301_100010179872 [0,2,0,0,0,0|1,0,1]=4 1427 B15R2.1754 Cc1ccc2cc(c(nc2c1)O)C=O 271570a_203496583355_100000009997 [0,2,0,0,0,0|2,0,0]=4 1428 B15R2.1754 [13CH3]Sc1cc2ccc(cc2cc1O)O 62a_200025704644_100010179872 [0,2,0,0,0,0|1,0,1]=4 1429 B15R2.2713 C=Cc1cc(c2[nH]c(=O)ccc2c1)F 271570a_100011290941_100012034177 [0,2,0,0,0,0|1,0,1]=4 1430 B15R2.2713 CSc1cc(c2[nH]c(=O)ccc2c1)F 62a_200000210301_100012034177 [0,2,0,0,0,0|1,0,0]=3 1431 B15R2.2713 CSc1cc(c2cc(ccc2c1)O)F 62a_100010201084_200000210301 [0,2,0,0,0,0|1,0,1]=4 1432 B15R2.2713 CSc1cc(c2cc(ccc2c1)O)F 62a_200000210301_100010201084 [0,2,0,0,0,0|1,0,1]=4 1433 B15R2.2713 [13CH3]Sc1cc(c2[nH]c(=O)ccc2c1)F 62a_200025704644_100012034177 [0,2,0,0,0,0|1,0,0]=3 1434 B15R2.2713 [13CH3]Sc1cc(c2cc(ccc2c1)O)F 62a_100010201084_200025704644 [0,2,0,0,0,0|1,0,1]=4 1435 B15R2.2713 [13CH3]Sc1cc(c2cc(ccc2c1)O)F 62a_200025704644_100010201084 [0,2,0,0,0,0|1,0,1]=4 1436 B15R2.4778 COc1ccc2cc(ccc2c1Br)Br 34a_100009812206_200000210301 [0,2,0,0,0,0|2,0,0]=4 1437 B15R2.4778 COc1ccc2cc(ccc2c1Br)Br 7a_100009812206_200000210301 [0,2,0,0,0,0|2,0,0]=4 1438 B15R2.4778 COc1ccc2cc(ccc2c1F)Br 34a_100010730138_200000210301 [0,2,0,0,0,0|2,0,0]=4 1439 B15R2.4778 COc1ccc2cc(ccc2c1F)Br 7a_100010730138_200000210301 [0,2,0,0,0,0|2,0,0]=4 1440 B15R2.4778 COc1ccc2nc(ccc2c1Br)C 34a_100010269489_200000210301 [0,2,0,0,0,0|2,0,0]=4 1441 B15R2.4778 COc1ccc2nc(ccc2c1Br)C 7a_100010269489_200000210301 [0,2,0,0,0,0|2,0,0]=4 1442 B15R2.4778 COc1ccc2nc(ccc2c1O)C 271570a_203496583355_100010269488 [0,2,0,0,0,0|2,0,0]=4 1443 B15R2.4778 Cc1ccc2c(c(ccc2n1)O[13CH3])Br 34a_100010269489_200025704644 [0,2,0,0,0,0|2,0,0]=4 1444 B15R2.4778 Cc1ccc2c(c(ccc2n1)O[13CH3])Br 7a_100010269489_200025704644 [0,2,0,0,0,0|2,0,0]=4 1445 B15R2.4778 [13CH3]Oc1ccc2cc(ccc2c1Br)Br 34a_100009812206_200025704644 [0,2,0,0,0,0|2,0,0]=4 1446 B15R2.4778 [13CH3]Oc1ccc2cc(ccc2c1Br)Br 7a_100009812206_200025704644 [0,2,0,0,0,0|2,0,0]=4 1447 B15R2.4778 [13CH3]Oc1ccc2cc(ccc2c1F)Br 34a_100010730138_200025704644 [0,2,0,0,0,0|2,0,0]=4 1448 B15R2.4778 [13CH3]Oc1ccc2cc(ccc2c1F)Br 7a_100010730138_200025704644 [0,2,0,0,0,0|2,0,0]=4 1449 B15R2.4779 CC1(C=Cc2cc(ccc2O1)N[13CH3])C 34a_100009886933_200025704644 [0,2,0,0,0,0|1,0,1]=4 1450 B15R2.4779 CC1(C=Cc2cc(ccc2O1)N[13CH3])C 7a_100009886933_200025704644 [0,2,0,0,0,0|1,0,1]=4 1451 B15R2.4779 CNc1ccc2c(c1)C=CC(O2)(C)C 34a_100009886933_200000210301 [0,2,0,0,0,0|1,0,1]=4 1452 B15R2.4779 CNc1ccc2c(c1)C=CC(O2)(C)C 7a_100009886933_200000210301 [0,2,0,0,0,0|1,0,1]=4 1453 B15R2.4780 C=Cc1ccc2cc(ccc2c1)C=O 271570a_100011290941_100012356508 [0,2,0,0,0,0|1,0,1]=4 1454 B15R2.4780 C=Cc1ccc2cc(ccc2c1)CO 271570a_100011290941_100012356509 [0,2,0,0,0,0|2,0,0]=4 1455 B15R2.4780 C=Cc1ccc2cc(ccc2c1)OC 271570a_100011290941_100000170439 [0,2,0,0,0,0|2,0,0]=4 1456 B15R2.4780 C=Cc1ccc2cc(ccc2c1)OC 34a_200010676335_200000210301 [0,2,0,0,0,0|2,0,0]=4 1457 B15R2.4780 C=Cc1ccc2cc(ccc2c1)OC 7a_200010676335_200000210301 [0,2,0,0,0,0|2,0,0]=4 1458 B15R2.4780 C=Cc1ccc2cc(ccc2c1)O[13CH3] 34a_200010676335_200025704644 [0,2,0,0,0,0|2,0,0]=4 1459 B15R2.4780 C=Cc1ccc2cc(ccc2c1)O[13CH3] 7a_200010676335_200025704644 [0,2,0,0,0,0|2,0,0]=4 1460 B15R2.4780 C=Cc1ccc2cc(ccc2n1)OC 271570a_100011290941_100000743015 [0,2,0,0,0,0|2,0,0]=4 1461 B15R2.4780 CCc1ccc2cc(ccc2c1)OC 34a_200000085364_200000210301 [0,2,0,0,0,0|1,0,1]=4 1462 B15R2.4780 CCc1ccc2cc(ccc2c1)OC 7a_200000085364_200000210301 [0,2,0,0,0,0|1,0,1]=4 1463 B15R2.4780 CCc1ccc2cc(ccc2c1)O[13CH3] 34a_200000085364_200025704644 [0,2,0,0,0,0|1,0,1]=4 1464 B15R2.4780 CCc1ccc2cc(ccc2c1)O[13CH3] 7a_200000085364_200025704644 [0,2,0,0,0,0|1,0,1]=4 1465 B15R2.4780 CNc1ccc2cc(ccc2n1)OC 27a_100102657272_100000743015 [0,2,0,0,0,0|2,0,0]=4 1466 B15R2.4780 CNc1ccc2cc(ccc2n1)SC 62a_200012034361_200000210301 [0,2,0,0,0,0|2,0,0]=4 1467 B15R2.4780 CNc1ccc2cc(ccc2n1)S[13CH3] 62a_200012034361_200025704644 [0,2,0,0,0,0|2,0,0]=4 1468 B15R2.4780 COc1ccc2cc(ccc2c1)C#N 34a_100000035450_200000210301 [0,2,0,0,0,0|2,0,0]=4 1469 B15R2.4780 COc1ccc2cc(ccc2c1)C#N 7a_100000035450_200000210301 [0,2,0,0,0,0|2,0,0]=4 1470 B15R2.4780 COc1ccc2cc(ccc2c1)CN 34a_200000083168_200000210301 [0,2,0,0,0,0|1,0,1]=4 1471 B15R2.4780 COc1ccc2cc(ccc2c1)OC 34a_100000039947_200000210301 [0,2,0,0,0,0|1,0,1]=4 1472 B15R2.4780 COc1ccc2cc(ccc2c1)OC 7a_100000039947_200000210301 [0,2,0,0,0,0|1,0,1]=4 1473 B15R2.4780 COc1ccc2cc(ccc2c1)O[13CH3] 34a_100000039947_200025704644 [0,2,0,0,0,0|1,0,1]=4 1474 B15R2.4780 COc1ccc2cc(ccc2c1)O[13CH3] 7a_100000039947_200025704644 [0,2,0,0,0,0|1,0,1]=4 1475 B15R2.4780 COc1ccc2cc(ccc2c1)SC 62a_200000210301_100000170439 [0,2,0,0,0,0|1,0,1]=4 1476 B15R2.4780 COc1ccc2cc(ccc2c1)S[13CH3] 62a_200025704644_100000170439 [0,2,0,0,0,0|1,0,1]=4 1477 B15R2.4780 COc1ccc2cc(ccc2n1)SC 62a_100009817092_200000210301 [0,2,0,0,0,0|1,0,1]=4 1478 B15R2.4780 COc1ccc2cc(ccc2n1)SC 62a_200000210301_100009817092 [0,2,0,0,0,0|1,0,1]=4 1479 B15R2.4780 COc1ccc2cc(ccc2n1)S[13CH3] 62a_100009817092_200025704644 [0,2,0,0,0,0|1,0,1]=4 1480 B15R2.4780 COc1ccc2cc(ccc2n1)S[13CH3] 62a_200025704644_100009817092 [0,2,0,0,0,0|1,0,1]=4 1481 B15R2.4780 COc1ccc2nc(ccc2c1)SC 62a_200000210301_100000743015 [0,2,0,0,0,0|1,1,0]=4 1482 B15R2.4780 COc1ccc2nc(ccc2c1)S[13CH3] 62a_200025704644_100000743015 [0,2,0,0,0,0|1,1,0]=4 1483 B15R2.4780 CSc1ccc2cc(ccc2c1)C=O 62a_100012356508_200000210301 [0,2,0,0,0,0|1,0,0]=3 1484 B15R2.4780 CSc1ccc2cc(ccc2c1)C=O 62a_200000210301_100012356508 [0,2,0,0,0,0|1,0,0]=3 1485 B15R2.4780 CSc1ccc2cc(ccc2c1)CO 62a_100012356509_200000210301 [0,2,0,0,0,0|1,0,1]=4 1486 B15R2.4780 CSc1ccc2cc(ccc2c1)CO 62a_200000210301_100012356509 [0,2,0,0,0,0|1,0,1]=4 1487 B15R2.4780 CSc1ccc2cc(ccc2n1)C=O 62a_200000210301_100000087602 [0,2,0,0,0,0|2,0,0]=4 1488 B15R2.4780 CSc1ccc2nc(ccc2c1)C#N 62a_200000210301_200012353941 [0,2,0,0,0,0|2,0,0]=4 1489 B15R2.4780 CSc1cnc2cc(ccc2c1)C=O 62a_100010114372_200000210301 [0,2,0,0,0,0|2,0,0]=4 1490 B15R2.4780 CSc1cnc2cc(ccc2c1)C=O 62a_200000210301_100010114372 [0,2,0,0,0,0|2,0,0]=4 1491 B15R2.4780 [13CH3]Oc1ccc2cc(ccc2c1)C#N 34a_100000035450_200025704644 [0,2,0,0,0,0|2,0,0]=4 1492 B15R2.4780 [13CH3]Oc1ccc2cc(ccc2c1)C#N 7a_100000035450_200025704644 [0,2,0,0,0,0|2,0,0]=4 1493 B15R2.4780 [13CH3]Oc1ccc2cc(ccc2c1)CN 34a_200000083168_200025704644 [0,2,0,0,0,0|1,0,1]=4 1494 B15R2.4780 [13CH3]Sc1ccc2cc(ccc2c1)C=O 62a_100012356508_200025704644 [0,2,0,0,0,0|1,0,0]=3 1495 B15R2.4780 [13CH3]Sc1ccc2cc(ccc2c1)C=O 62a_200025704644_100012356508 [0,2,0,0,0,0|1,0,0]=3 1496 B15R2.4780 [13CH3]Sc1ccc2cc(ccc2c1)CO 62a_100012356509_200025704644 [0,2,0,0,0,0|1,0,1]=4 1497 B15R2.4780 [13CH3]Sc1ccc2cc(ccc2c1)CO 62a_200025704644_100012356509 [0,2,0,0,0,0|1,0,1]=4 1498 B15R2.4780 [13CH3]Sc1ccc2cc(ccc2n1)C=O 62a_200025704644_100000087602 [0,2,0,0,0,0|2,0,0]=4 1499 B15R2.4780 [13CH3]Sc1ccc2nc(ccc2c1)C#N 62a_200025704644_200012353941 [0,2,0,0,0,0|2,0,0]=4 1500 B15R2.4780 [13CH3]Sc1cnc2cc(ccc2c1)C=O 62a_100010114372_200025704644 [0,2,0,0,0,0|2,0,0]=4 1501 B15R2.4780 [13CH3]Sc1cnc2cc(ccc2c1)C=O 62a_200025704644_100010114372 [0,2,0,0,0,0|2,0,0]=4 1502 B15R2.7180 C=C(C)c1ccc2[nH]c(=O)ccc2c1 271570a_100000694244_100011934725 [0,2,0,0,0,0|1,0,0]=3 1503 B15R2.7180 C=C(C)c1ccc2[nH]c(=O)cnc2c1 271570a_100000694244_100010209493 [0,2,0,0,0,0|2,0,0]=4 1504 B15R2.7180 C=C(C)c1ccc2c(c1)CCC(=O)O2 271570a_100000694244_100010179853 [0,2,0,0,0,0|0,0,2]=4 1505 B15R2.7180 C=C(C)c1ccc2cc(ccc2c1)Br 271570a_100000694244_100012344972 [0,2,0,0,0,0|2,0,0]=4 1506 B15R2.7180 C=C(C)c1ccc2cc(ccc2c1)F 271570a_100000694244_100009817052 [0,2,0,0,0,0|2,0,0]=4 1507 B15R2.7180 C=C(C)c1ccc2cc(ccc2c1)N 271570a_100000694244_100000185457 [0,2,0,0,0,0|2,0,0]=4 1508 B15R2.7180 C=C(C)c1ccc2cc(ccc2c1)O 271570a_100000694244_100000185455 [0,2,0,0,0,0|1,0,1]=4 1509 B15R2.7180 C=C(C)c1ccc2cc(ccc2n1)C 271570a_100000694244_100011865911 [0,2,0,0,0,0|2,0,0]=4 1510 B15R2.7180 C=C(C)c1ccc2nc(ccc2c1)C 271570a_100000694244_100000686635 [0,2,0,0,0,0|2,0,0]=4 1511 B15R2.7180 C=C(C)c1ccc2nc(ccc2c1)Cl 271570a_100000694244_200012034268 [0,2,0,0,0,0|2,0,0]=4 1512 B15R2.7180 C=C(C)c1ccc2nc(ccc2c1)N 271570a_100000694244_100011934619 [0,2,0,0,0,0|2,0,0]=4 1513 B15R2.7180 C=C(C)c1ccc2oc(=O)ccc2c1 271570a_100000694244_100009999946 [0,2,0,0,0,0|0,0,0]=2 1514 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_200000210301 [0,2,0,0,0,0|2,0,0]=4 1515 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_200000210301 [0,2,0,0,0,0|2,0,0]=4 1516 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_200000210301 [0,2,0,0,0,0|2,0,0]=4 1517 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)O 271570a_203496583355_100012339427 [0,2,0,0,0,0|1,0,1]=4 1518 B15R2.7180 CC(=O)c1ccc2nc(ccc2c1)C 1458a_100000691375_200000210301 [0,2,0,0,0,0|2,0,0]=4 1519 B15R2.7180 CC(=O)c1ccc2nc(ccc2c1)Cl 1458a_100000740145_200000210301 [0,2,0,0,0,0|2,0,0]=4 1520 B15R2.7180 CC(=O)c1ccc2nc(ccc2c1)O 1458a_100015838258_200000210301 [0,2,0,0,0,0|1,0,1]=4 1521 B15R2.7180 CC(=O)c1ccc2oc(=O)ccc2c1 1458a_200000082590_200000210301 [0,2,0,0,0,0|0,0,0]=2 1522 B15R2.7180 Cc1ccc2cc(ccc2n1)C(=O)[13CH3] 1458a_100000691375_200025704644 [0,2,0,0,0,0|2,0,0]=4 1523 B15R2.7180 Cc1ccc2nc(ccc2c1)N(C)C 27a_100102631434_100011865911 [0,2,0,0,0,0|2,0,0]=4 1524 B15R2.7180 [13CH3]C(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_200025704644 [0,2,0,0,0,0|2,0,0]=4 1525 B15R2.7180 [13CH3]C(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_200025704644 [0,2,0,0,0,0|2,0,0]=4 1526 B15R2.7180 [13CH3]C(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_200025704644 [0,2,0,0,0,0|2,0,0]=4 1527 B15R2.7180 [13CH3]C(=O)c1ccc2nc(ccc2c1)Cl 1458a_100000740145_200025704644 [0,2,0,0,0,0|2,0,0]=4 1528 B15R2.7180 [13CH3]C(=O)c1ccc2nc(ccc2c1)O 1458a_100015838258_200025704644 [0,2,0,0,0,0|1,0,1]=4 1529 B15R2.7180 [13CH3]C(=O)c1ccc2oc(=O)ccc2c1 1458a_200000082590_200025704644 [0,2,0,0,0,0|0,0,0]=2 1530 B15R2.10252 C=C=Cc1ccc2[nH]c(=O)ccc2c1 271570a_100015277604_100011934725 [0,2,0,0,0,0|1,0,1]=4 1531 B15R2.10252 C=C=Cc1ccc2cc(ccc2n1)C 271570a_100015277604_100011865911 [0,2,0,0,0,0|2,0,0]=4 1532 B15R2.10252 C=C=Cc1ccc2oc(=O)ccc2c1 271570a_100015277604_100009999946 [0,2,0,0,0,0|0,0,1]=3 1533 B15R2.10252 CC=Cc1ccc2[nH]c(=O)ccc2c1 271570a_100016259895_100011934725 [0,2,0,0,0,0|1,0,0]=3 1534 B15R2.10252 CC=Cc1ccc2[nH]c(=O)cnc2c1 271570a_100016259895_100010209493 [0,2,0,0,0,0|2,0,0]=4 1535 B15R2.10252 CC=Cc1ccc2c(c1)CCC(=O)O2 271570a_100016259895_100010179853 [0,2,0,0,0,0|0,0,2]=4 1536 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)Br 271570a_100016259895_100012344972 [0,2,0,0,0,0|2,0,0]=4 1537 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)F 271570a_100016259895_100009817052 [0,2,0,0,0,0|2,0,0]=4 1538 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)N 271570a_100016259895_100000185457 [0,2,0,0,0,0|2,0,0]=4 1539 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)O 271570a_100016259895_100000185455 [0,2,0,0,0,0|1,0,1]=4 1540 B15R2.10252 CC=Cc1ccc2cc(ccc2n1)C 271570a_100016259895_100011865911 [0,2,0,0,0,0|2,0,0]=4 1541 B15R2.10252 CC=Cc1ccc2nc(ccc2c1)C 271570a_100016259895_100000686635 [0,2,0,0,0,0|2,0,0]=4 1542 B15R2.10252 CC=Cc1ccc2nc(ccc2c1)Cl 271570a_100016259895_200012034268 [0,2,0,0,0,0|2,0,0]=4 1543 B15R2.10252 CC=Cc1ccc2nc(ccc2c1)N 271570a_100016259895_100011934619 [0,2,0,0,0,0|2,0,0]=4 1544 B15R2.10252 CC=Cc1ccc2oc(=O)ccc2c1 271570a_100016259895_100009999946 [0,2,0,0,0,0|0,0,0]=2 1545 B15R2.10252 CCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210202 [0,2,0,0,0,0|2,0,0]=4 1546 B15R2.10252 CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210202 [0,2,0,0,0,0|2,0,0]=4 1547 B15R2.10252 CCNc1ccc2cc(ccc2n1)C 27a_100015525214_100011865911 [0,2,0,0,0,0|2,0,0]=4 1548 B15R2.10252 CCNc1ccc2nc(ccc2c1)C 34a_100011216442_100000210202 [0,2,0,0,0,0|2,0,0]=4 1549 B15R2.10252 CCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000210202 [0,2,0,0,0,0|0,0,0]=2 1550 B15R2.10252 CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210202 [0,2,0,0,0,0|2,0,0]=4 1551 B15R2.10252 CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210202 [0,2,0,0,0,0|2,0,0]=4 1552 B15R2.10252 CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000210202 [0,2,0,0,0,0|1,0,1]=4 1553 B15R2.10252 CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000210202 [0,2,0,0,0,0|1,0,1]=4 1554 B15R2.10252 CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210202 [0,2,0,0,0,0|2,0,0]=4 1555 B15R2.10252 CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210202 [0,2,0,0,0,0|2,0,0]=4 1556 B15R2.10252 CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000210202 [0,2,0,0,0,0|2,0,0]=4 1557 B15R2.10252 CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000210202 [0,2,0,0,0,0|2,0,0]=4 1558 B15R2.10252 CCOc1ccc2cc(ccc2c1)O 271570a_203496583355_100000170440 [0,2,0,0,0,0|1,0,1]=4 1559 B15R2.10252 CCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000210202 [0,2,0,0,0,0|2,0,0]=4 1560 B15R2.10252 CCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000210202 [0,2,0,0,0,0|2,0,0]=4 1561 B15R2.10252 CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210202 [0,2,0,0,0,0|2,0,0]=4 1562 B15R2.10252 CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210202 [0,2,0,0,0,0|2,0,0]=4 1563 B15R2.10252 CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210202 [0,2,0,0,0,0|0,0,0]=2 1564 B15R2.10252 CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210202 [0,2,0,0,0,0|0,0,0]=2 1565 B15R2.10252 CCSc1ccc2[nH]c(=O)ccc2c1 62a_100000210202_100011934725 [0,2,0,0,0,0|1,0,0]=3 1566 B15R2.10252 CCSc1ccc2[nH]c(=O)cnc2c1 62a_100000210202_100010209493 [0,2,0,0,0,0|2,0,0]=4 1567 B15R2.10252 CCSc1ccc2c(c1)CCC(=O)O2 62a_100000210202_100010179853 [0,2,0,0,0,0|0,0,2]=4 1568 B15R2.10252 CCSc1ccc2c(c1)CCC(=O)O2 62a_100010179853_100000210202 [0,2,0,0,0,0|0,0,2]=4 1569 B15R2.10252 CCSc1ccc2cc(ccc2c1)Br 62a_100000210202_100012344972 [0,2,0,0,0,0|2,0,0]=4 1570 B15R2.10252 CCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000210202 [0,2,0,0,0,0|2,0,0]=4 1571 B15R2.10252 CCSc1ccc2cc(ccc2c1)F 62a_100000210202_100009817052 [0,2,0,0,0,0|2,0,0]=4 1572 B15R2.10252 CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210202 [0,2,0,0,0,0|2,0,0]=4 1573 B15R2.10252 CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210202 [0,2,0,0,0,0|2,0,0]=4 1574 B15R2.10252 CCSc1ccc2cc(ccc2c1)N 62a_100000210202_100000185457 [0,2,0,0,0,0|2,0,0]=4 1575 B15R2.10252 CCSc1ccc2cc(ccc2c1)O 62a_100000210202_100000185455 [0,2,0,0,0,0|1,0,1]=4 1576 B15R2.10252 CCSc1ccc2cc(ccc2n1)C 62a_100000210202_100011865911 [0,2,0,0,0,0|1,1,0]=4 1577 B15R2.10252 CCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000210202 [0,2,0,0,0,0|1,1,0]=4 1578 B15R2.10252 CCSc1ccc2nc(ccc2c1)C 62a_100000210202_100000686635 [0,2,0,0,0,0|2,0,0]=4 1579 B15R2.10252 CCSc1ccc2nc(ccc2c1)C 62a_100000686635_100000210202 [0,2,0,0,0,0|2,0,0]=4 1580 B15R2.10252 CCSc1ccc2nc(ccc2c1)Cl 62a_100000210202_200012034268 [0,2,0,0,0,0|2,0,0]=4 1581 B15R2.10252 CCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000210202 [0,2,0,0,0,0|2,0,0]=4 1582 B15R2.10252 CCSc1ccc2oc(=O)ccc2c1 62a_100000210202_100009999946 [0,2,0,0,0,0|0,0,0]=2 1583 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 207a_100102657272_100012356508 [0,2,0,0,0,0|2,0,0]=4 1584 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 2230a_106832991635_100012356510 [0,2,0,0,0,0|2,0,0]=4 1585 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 26a_100102657272_100000185455 [0,2,0,0,0,0|2,0,0]=4 1586 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 270004a_106832991635_100012356508 [0,2,0,0,0,0|2,0,0]=4 1587 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 34a_100102657272_100012356510 [0,2,0,0,0,0|2,0,0]=4 1588 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 7a_106832991635_100012356510 [0,2,0,0,0,0|2,0,0]=4 1589 B15R2.10252 CNCc1ccc2cc(ccc2c1)O 207a_100102657272_100000067190 [0,2,0,0,0,0|1,0,1]=4 1590 B15R2.10252 CNCc1ccc2cc(ccc2c1)O 270004a_106832991635_100000067190 [0,2,0,0,0,0|1,0,1]=4 1591 B15R2.10252 CNCc1ccc2cc(ccc2c1)O 34a_200000083168_200000210301 [0,2,0,0,0,0|1,0,1]=4 1592 B15R2.10252 CNCc1ccc2cc(ccc2n1)C 2230a_106832991635_100009884411 [0,2,0,0,0,0|2,0,0]=4 1593 B15R2.10252 CNCc1ccc2cc(ccc2n1)C 34a_100102657272_100009884411 [0,2,0,0,0,0|2,0,0]=4 1594 B15R2.10252 CNCc1ccc2cc(ccc2n1)C 7a_106832991635_100009884411 [0,2,0,0,0,0|2,0,0]=4 1595 B15R2.10252 CNCc1ccc2nc(ccc2c1)C 207a_100102657272_100000709793 [0,2,0,0,0,0|2,0,0]=4 1596 B15R2.10252 CNCc1ccc2nc(ccc2c1)C 270004a_106832991635_100000709793 [0,2,0,0,0,0|2,0,0]=4 1597 B15R2.10252 CNCc1ccc2nc(ccc2c1)Cl 270004a_106832991635_100000087602 [0,2,0,0,0,0|2,0,0]=4 1598 B15R2.10252 CNCc1ccc2oc(=O)ccc2c1 2230a_106832991635_200010983872 [0,2,0,0,0,0|0,0,0]=2 1599 B15R2.10252 CNCc1ccc2oc(=O)ccc2c1 270004a_106832991635_100000036638 [0,2,0,0,0,0|0,0,0]=2 1600 B15R2.10252 CNCc1ccc2oc(=O)ccc2c1 7a_106832991635_200010983872 [0,2,0,0,0,0|0,0,0]=2 1601 B15R2.10252 COCc1ccc2cc(ccc2c1)Br 34a_100012356509_200000210301 [0,2,0,0,0,0|2,0,0]=4 1602 B15R2.10252 COCc1ccc2cc(ccc2c1)Br 34a_100138415774_100012356510 [0,2,0,0,0,0|2,0,0]=4 1603 B15R2.10252 COCc1ccc2cc(ccc2c1)Br 7a_100012356509_200000210301 [0,2,0,0,0,0|2,0,0]=4 1604 B15R2.10252 COCc1ccc2cc(ccc2n1)C 34a_100138415774_100009884411 [0,2,0,0,0,0|1,0,1]=4 1605 B15R2.10252 COCc1ccc2nc(ccc2c1)C 34a_100011934618_200000210301 [0,2,0,0,0,0|2,0,0]=4 1606 B15R2.10252 CSCc1ccc2cc(ccc2c1)Br 62a_100012356510_200000210301 [0,2,0,0,0,0|2,0,0]=4 1607 B15R2.10252 CSCc1ccc2cc(ccc2c1)Br 62a_200000210301_100012356510 [0,2,0,0,0,0|2,0,0]=4 1608 B15R2.10252 CSCc1ccc2cc(ccc2n1)C 62a_100009884411_200000210301 [0,2,0,0,0,0|1,1,0]=4 1609 B15R2.10252 CSCc1ccc2cc(ccc2n1)C 62a_200000210301_100009884411 [0,2,0,0,0,0|1,1,0]=4 1610 B15R2.10252 CSCc1ccc2oc(=O)ccc2c1 62a_200000210301_200010983872 [0,2,0,0,0,0|0,0,0]=2 1611 B15R2.10252 Cc1ccc2cc(ccc2c1)OCF 34a_100000074090_100015361967 [0,2,0,0,0,0|1,0,1]=4 1612 B15R2.10252 Cc1ccc2cc(ccc2c1)OCF 7a_100000074090_100015361967 [0,2,0,0,0,0|1,0,1]=4 1613 B15R2.10252 Cc1ccc2cc(ccc2n1)CO[13CH3] 34a_100011934618_200025704644 [0,2,0,0,0,0|2,0,0]=4 1614 B15R2.10252 Cc1ccc2cc(ccc2n1)NCF 34a_100011216442_100015361967 [0,2,0,0,0,0|2,0,0]=4 1615 B15R2.10252 Cc1ccc2cc(ccc2n1)OCF 34a_100000037634_100015361967 [0,2,0,0,0,0|2,0,0]=4 1616 B15R2.10252 Cc1ccc2cc(ccc2n1)OCF 7a_100000037634_100015361967 [0,2,0,0,0,0|2,0,0]=4 1617 B15R2.10252 Cc1ccc2cc(ccc2n1)SCF 62a_100000686635_100015361967 [0,2,0,0,0,0|2,0,0]=4 1618 B15R2.10252 Cc1ccc2cc(ccc2n1)SCF 62a_100015361967_100000686635 [0,2,0,0,0,0|2,0,0]=4 1619 B15R2.10252 Cc1ccc2nc(ccc2c1)CS[13CH3] 62a_100009884411_200025704644 [0,2,0,0,0,0|1,1,0]=4 1620 B15R2.10252 Cc1ccc2nc(ccc2c1)CS[13CH3] 62a_200025704644_100009884411 [0,2,0,0,0,0|1,1,0]=4 1621 B15R2.10252 Cc1ccc2nc(ccc2c1)SCF 62a_100015361967_100011865911 [0,2,0,0,0,0|1,1,0]=4 1622 B15R2.10252 Cc1ccc2nc(ccc2c1)SCF 62a_200000181977_100015361967 [0,2,0,0,0,0|1,1,0]=4 1623 B15R2.10252 FCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100015361967 [0,2,0,0,0,0|2,0,0]=4 1624 B15R2.10252 FCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100015361967 [0,2,0,0,0,0|2,0,0]=4 1625 B15R2.10252 FCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100015361967 [0,2,0,0,0,0|2,0,0]=4 1626 B15R2.10252 FCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100015361967 [0,2,0,0,0,0|2,0,0]=4 1627 B15R2.10252 FCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100015361967 [0,2,0,0,0,0|2,0,0]=4 1628 B15R2.10252 FCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100015361967 [0,2,0,0,0,0|2,0,0]=4 1629 B15R2.10252 FCOc1ccc2cc(ccc2c1)F 34a_100009847029_100015361967 [0,2,0,0,0,0|2,0,0]=4 1630 B15R2.10252 FCOc1ccc2cc(ccc2c1)F 7a_100009847029_100015361967 [0,2,0,0,0,0|2,0,0]=4 1631 B15R2.10252 FCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100015361967 [0,2,0,0,0,0|2,0,0]=4 1632 B15R2.10252 FCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100015361967 [0,2,0,0,0,0|2,0,0]=4 1633 B15R2.10252 FCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100015361967 [0,2,0,0,0,0|2,0,0]=4 1634 B15R2.10252 FCSc1ccc2cc(ccc2c1)Br 62a_100015361967_100012344972 [0,2,0,0,0,0|2,0,0]=4 1635 B15R2.10252 FCSc1ccc2cc(ccc2c1)F 62a_100009817052_100015361967 [0,2,0,0,0,0|2,0,0]=4 1636 B15R2.10252 FCSc1ccc2cc(ccc2c1)F 62a_100015361967_100009817052 [0,2,0,0,0,0|2,0,0]=4 1637 B15R2.10252 FCSc1ccc2nc(ccc2c1)Cl 62a_100015361967_200012034268 [0,2,0,0,0,0|2,0,0]=4 1638 B15R2.10252 Nc1ccc2cc(ccc2c1)SCF 62a_100000185457_100015361967 [0,2,0,0,0,0|2,0,0]=4 1639 B15R2.10252 Nc1ccc2cc(ccc2c1)SCF 62a_100015361967_100000185457 [0,2,0,0,0,0|2,0,0]=4 1640 B15R2.10252 Nc1ccc2cc(ccc2n1)SCF 62a_100011934619_100015361967 [0,2,0,0,0,0|2,0,0]=4 1641 B15R2.10252 O=C1CCc2cc(ccc2O1)SCF 62a_100010179853_100015361967 [0,2,0,0,0,0|0,0,2]=4 1642 B15R2.10252 O=C1CCc2cc(ccc2O1)SCF 62a_100015361967_100010179853 [0,2,0,0,0,0|0,0,2]=4 1643 B15R2.10252 O=c1ccc2cc(ccc2[nH]1)SCF 62a_100015361967_100011934725 [0,2,0,0,0,0|1,0,0]=3 1644 B15R2.10252 O=c1ccc2cc(ccc2o1)NCF 7a_100000008519_100015361967 [0,2,0,0,0,0|0,0,0]=2 1645 B15R2.10252 O=c1ccc2cc(ccc2o1)OCF 34a_100000066265_100015361967 [0,2,0,0,0,0|0,0,0]=2 1646 B15R2.10252 O=c1ccc2cc(ccc2o1)OCF 7a_100000066265_100015361967 [0,2,0,0,0,0|0,0,0]=2 1647 B15R2.10252 O=c1ccc2cc(ccc2o1)SCF 62a_100015361967_100009999946 [0,2,0,0,0,0|0,0,0]=2 1648 B15R2.10252 O=c1cnc2cc(ccc2[nH]1)SCF 62a_100015361967_100010209493 [0,2,0,0,0,0|2,0,0]=4 1649 B15R2.10252 Oc1ccc2cc(ccc2c1)SCF 62a_100015361967_100000185455 [0,2,0,0,0,0|1,0,1]=4 1650 B15R2.10252 [13CH3]NCc1ccc2cc(ccc2c1)O 34a_200000083168_200025704644 [0,2,0,0,0,0|1,0,1]=4 1651 B15R2.10252 [13CH3]OCc1ccc2cc(ccc2c1)Br 34a_100012356509_200025704644 [0,2,0,0,0,0|2,0,0]=4 1652 B15R2.10252 [13CH3]OCc1ccc2cc(ccc2c1)Br 7a_100012356509_200025704644 [0,2,0,0,0,0|2,0,0]=4 1653 B15R2.10252 [13CH3]SCc1ccc2cc(ccc2c1)Br 62a_100012356510_200025704644 [0,2,0,0,0,0|2,0,0]=4 1654 B15R2.10252 [13CH3]SCc1ccc2cc(ccc2c1)Br 62a_200025704644_100012356510 [0,2,0,0,0,0|2,0,0]=4 1655 B15R2.10252 [13CH3]SCc1ccc2oc(=O)ccc2c1 62a_200025704644_200010983872 [0,2,0,0,0,0|0,0,0]=2 1656 B15R2.21329 C=Cc1ccc2[nH]c(=O)cc(c2c1)C 271570a_100011290941_100009820897 [0,2,0,0,0,0|1,0,1]=4 1657 B15R2.21329 C=Cc1ccc2[nH]c(=O)cc(c2c1)O 271570a_100011290941_100000695641 [0,2,0,0,0,0|1,0,1]=4 1658 B15R2.21329 C=Cc1ccc2cc(cc(c2n1)C)C 271570a_100011290941_200012017542 [0,2,0,0,0,0|2,0,0]=4 1659 B15R2.21329 C=Cc1ccc2oc(=O)[nH]c(=O)c2c1 271570a_100011290941_200000725568 [0,2,0,0,0,0|1,0,1]=4 1660 B15R2.21329 C=Cc1ccc2oc(=O)cc(c2c1)O 271570a_100011290941_100009814091 [0,2,0,0,0,0|0,0,1]=3 1661 B15R2.21329 CNc1ccc2cc(cc(c2n1)C)C 27a_100102657272_200012017542 [0,2,0,0,0,0|2,0,0]=4 1662 B15R2.21329 COc1ccc2[nH]c(=O)oc(=O)c2c1 7a_100000066353_200000210301 [0,2,0,0,0,0|2,0,0]=4 1663 B15R2.21329 COc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_200000210301 [0,2,0,0,0,0|2,0,0]=4 1664 B15R2.21329 COc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_200000210301 [0,2,0,0,0,0|2,0,0]=4 1665 B15R2.21329 COc1ccc2nc(cc(c2c1)C)O 271570a_203496583355_100000028501 [0,2,0,0,0,0|1,0,1]=4 1666 B15R2.21329 COc1ccc2nc(cc(c2c1)O)C 271570a_203496583355_100000754979 [0,2,0,0,0,0|2,0,0]=4 1667 B15R2.21329 COc1ccc2oc(=O)cc(c2c1)C 34a_100000034621_200000210301 [0,2,0,0,0,0|0,0,0]=2 1668 B15R2.21329 COc1ccc2oc(=O)cc(c2c1)C 7a_100000034621_200000210301 [0,2,0,0,0,0|0,0,0]=2 1669 B15R2.21329 CSc1ccc2[nH]c(=O)cc(c2c1)C 62a_200000210301_100009820897 [0,2,0,0,0,0|1,0,0]=3 1670 B15R2.21329 CSc1ccc2[nH]c(=O)cc(c2c1)O 62a_200000210301_100000695641 [0,2,0,0,0,0|1,0,0]=3 1671 B15R2.21329 CSc1ccc2[nH]c(cc(=O)c2c1)C 62a_200000210301_100011333642 [0,2,0,0,0,0|2,0,0]=4 1672 B15R2.21329 CSc1ccc2c(c1)C(=O)NC(=O)C2 62a_200000210301_100010161110 [0,2,0,0,0,0|2,0,0]=4 1673 B15R2.21329 CSc1ccc2cc(cc(c2n1)C)C 62a_200000210301_200012017542 [0,2,0,0,0,0|1,1,0]=4 1674 B15R2.21329 CSc1ccc2nc(cc(c2c1)N)C 62a_100000238323_200000210301 [0,2,0,0,0,0|2,0,0]=4 1675 B15R2.21329 Cc1cc(=O)[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100009820897 [0,2,0,0,0,0|1,0,0]=3 1676 B15R2.21329 Cc1cc(=O)c2cc(ccc2[nH]1)S[13CH3] 62a_200025704644_100011333642 [0,2,0,0,0,0|2,0,0]=4 1677 B15R2.21329 Cc1cc(=O)oc2c1cc(cc2)O[13CH3] 34a_100000034621_200025704644 [0,2,0,0,0,0|0,0,0]=2 1678 B15R2.21329 Cc1cc(=O)oc2c1cc(cc2)O[13CH3] 7a_100000034621_200025704644 [0,2,0,0,0,0|0,0,0]=2 1679 B15R2.21329 Cc1cc(c2cc(ccc2n1)S[13CH3])N 62a_100000238323_200025704644 [0,2,0,0,0,0|2,0,0]=4 1680 B15R2.21329 Cc1cc(c2nc(ccc2c1)S[13CH3])C 62a_200025704644_200012017542 [0,2,0,0,0,0|1,1,0]=4 1681 B15R2.21329 [13CH3]Oc1ccc2[nH]c(=O)oc(=O)c2c1 7a_100000066353_200025704644 [0,2,0,0,0,0|2,0,0]=4 1682 B15R2.21329 [13CH3]Oc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_200025704644 [0,2,0,0,0,0|2,0,0]=4 1683 B15R2.21329 [13CH3]Oc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_200025704644 [0,2,0,0,0,0|2,0,0]=4 1684 B15R2.21329 [13CH3]Sc1ccc2[nH]c(=O)cc(c2c1)O 62a_200025704644_100000695641 [0,2,0,0,0,0|1,0,0]=3 1685 B15R2.21329 [13CH3]Sc1ccc2c(c1)C(=O)NC(=O)C2 62a_200025704644_100010161110 [0,2,0,0,0,0|2,0,0]=4 1686 B15R2.21336 CN1Cc2cc(ccc2OC1=O)S[13CH3] 62a_100015193643_200025704644 [0,2,0,0,0,0|1,0,1]=4 1687 B15R2.21336 COc1ccc2nc(c(cc2c1)C)O 271570a_203496583355_100000697009 [0,2,0,0,0,0|1,0,1]=4 1688 B15R2.21336 CSc1ccc2c(c1)CN(C(=O)O2)C 62a_100015193643_200000210301 [0,2,0,0,0,0|1,0,1]=4 1689 B15R2.21336 CSc1ccc2nc(c(cc2c1)C)N 62a_100011830096_200000210301 [0,2,0,0,0,0|2,0,0]=4 1690 B15R2.21336 CSc1ccc2nc(c(cc2c1)C)N 62a_200000210301_100011830096 [0,2,0,0,0,0|2,0,0]=4 1691 B15R2.21336 Cc1cc2cc(ccc2nc1N)S[13CH3] 62a_100011830096_200025704644 [0,2,0,0,0,0|2,0,0]=4 1692 B15R2.21336 Cc1cc2cc(ccc2nc1N)S[13CH3] 62a_200025704644_100011830096 [0,2,0,0,0,0|2,0,0]=4 1693 B15R2.89401 C=Cc1ccc2c(c1)C=CC(=O)C2=O 271570a_100011290941_100009812793 [0,2,0,0,0,0|1,0,1]=4 1694 B15R2.89401 CSc1ccc2c(c(ccc2c1)O)F 62a_100010730138_200000210301 [0,2,0,0,0,0|1,0,1]=4 1695 B15R2.89401 CSc1ccc2c(c(ccc2c1)O)F 62a_200000210301_100010730138 [0,2,0,0,0,0|1,0,1]=4 1696 B15R2.89401 CSc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_200000210301 [0,2,0,0,0,0|1,0,0]=3 1697 B15R2.89401 CSc1ccc2c(c1)C=CC(=O)C2=O 62a_200000210301_100009812793 [0,2,0,0,0,0|1,0,0]=3 1698 B15R2.89401 [13CH3]Sc1ccc2c(c(ccc2c1)O)F 62a_100010730138_200025704644 [0,2,0,0,0,0|1,0,1]=4 1699 B15R2.89401 [13CH3]Sc1ccc2c(c(ccc2c1)O)F 62a_200025704644_100010730138 [0,2,0,0,0,0|1,0,1]=4 1700 B15R2.89401 [13CH3]Sc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_200025704644 [0,2,0,0,0,0|1,0,0]=3 1701 B15R2.89401 [13CH3]Sc1ccc2c(c1)C=CC(=O)C2=O 62a_200025704644_100009812793 [0,2,0,0,0,0|1,0,0]=3 1702 B15R2.59732 Cc1cc(c2[nH]c(=O)oc(=O)c2c1)O 271570a_203496583355_100000216488 [0,2,0,0,0,0|2,0,0]=4 1703 B15R2.89950 C=Cc1cc(cc2c1[nH]c(=O)cc2)Cl 271570a_100011290941_200014262637 [0,2,0,0,0,0|2,0,0]=4 1704 B15R2.89950 C=Cc1cc(cc2c1[nH]c(=O)cc2)F 271570a_100011290941_200012639799 [0,2,0,0,0,0|2,0,0]=4 1705 B15R2.89950 C=Cc1cc(nc2c1cc(cc2)C)C 271570a_100011290941_100011333704 [0,2,0,0,0,0|2,0,0]=4 1706 B15R2.89950 CNc1cc(nc2c1cc(cc2)C)C 27a_100102657272_100011333704 [0,2,0,0,0,0|2,0,0]=4 1707 B15R2.89950 COc1cc(=O)oc2c1cc(cc2)Br 7a_100009814091_200000210301 [0,2,0,0,0,0|1,0,0]=3 1708 B15R2.89950 COc1cc(=O)oc2c1cc(cc2)C 7a_100000008869_200000210301 [0,2,0,0,0,0|0,0,0]=2 1709 B15R2.89950 COc1cc(=O)oc2c1cc(cc2)Cl 7a_100000038020_200000210301 [0,2,0,0,0,0|1,0,0]=3 1710 B15R2.89950 COc1cc(=O)oc2c1cc(cc2)F 34a_100000038269_200000210301 [0,2,0,0,0,0|1,0,0]=3 1711 B15R2.89950 COc1cc(=O)oc2c1cc(cc2)F 7a_100000038269_200000210301 [0,2,0,0,0,0|1,0,0]=3 1712 B15R2.89950 CSc1cc(cc2c1[nH]c(=O)cc2)Cl 62a_200000210301_200014262637 [0,2,0,0,0,0|2,0,0]=4 1713 B15R2.89950 CSc1cc(cc2c1[nH]c(=O)cc2)F 62a_200000210301_200012639799 [0,2,0,0,0,0|2,0,0]=4 1714 B15R2.89950 CSc1cc(nc2c1cc(cc2)C)C 62a_200000210301_100011333704 [0,2,0,0,0,0|2,0,0]=4 1715 B15R2.89950 Cc1ccc2nc(cc(c2c1)S[13CH3])C 62a_200025704644_100011333704 [0,2,0,0,0,0|2,0,0]=4 1716 B15R2.89950 Cc1ccc2oc(=O)cc(c2c1)O[13CH3] 7a_100000008869_200025704644 [0,2,0,0,0,0|0,0,0]=2 1717 B15R2.89950 [13CH3]Oc1cc(=O)oc2c1cc(cc2)Br 7a_100009814091_200025704644 [0,2,0,0,0,0|1,0,0]=3 1718 B15R2.89950 [13CH3]Oc1cc(=O)oc2c1cc(cc2)Cl 7a_100000038020_200025704644 [0,2,0,0,0,0|1,0,0]=3 1719 B15R2.89950 [13CH3]Oc1cc(=O)oc2c1cc(cc2)F 34a_100000038269_200025704644 [0,2,0,0,0,0|1,0,0]=3 1720 B15R2.89950 [13CH3]Oc1cc(=O)oc2c1cc(cc2)F 7a_100000038269_200025704644 [0,2,0,0,0,0|1,0,0]=3 1721 B15R2.89950 [13CH3]Sc1cc(cc2c1[nH]c(=O)cc2)Cl 62a_200025704644_200014262637 [0,2,0,0,0,0|2,0,0]=4 1722 B15R2.89950 [13CH3]Sc1cc(cc2c1[nH]c(=O)cc2)F 62a_200025704644_200012639799 [0,2,0,0,0,0|2,0,0]=4 1723 B15R2.1824 Cc1ccc2nc(c(cc2c1)C#N)O 271570a_203496583355_100000067064 [0,2,0,0,0,0|1,0,1]=4 1724 B15R2.1824 Cc1ccc2nc(c(cc2c1)C=O)O 271570a_203496583355_100000009852 [0,2,0,0,0,0|1,0,1]=4 1725 B15R2.1824 Cc1ccc2nc(c(cc2c1)CO)O 271570a_203496583355_100000012208 [0,2,0,0,0,0|1,0,1]=4 1726 B13R2.623 C=Cc1cc(cc2c1[nH]cn2)C 271570a_100011290941_100010107307 [0,0,1,1,0,0|2,0,0]=4 1727 B13R2.623 C=Cc1cc(cc2c1cc[nH]2)C 271570a_100011290941_100010186026 [0,0,1,1,0,0|2,0,0]=4 1728 B13R2.623 C=Cc1cc(cc2c1occ2)C 271570a_100011290941_100012361857 [0,0,1,1,0,0|1,0,0]=3 1729 B13R2.623 C=Cc1cc(cc2c1occ2)F 271570a_100011290941_100011935139 [0,0,1,1,0,0|2,0,0]=4 1730 B13R2.623 C=Cc1cc(cc2c1occ2)O 271570a_100011290941_200010248604 [0,0,1,1,0,0|2,0,0]=4 1731 B13R2.371 Cc1ccc(c2c1cccc2)O 271570a_203496583355_100011215156 [0,0,1,1,0,0|1,0,0]=3 1732 B13R2.371 Cc1ccc(c2c1nccc2)O 271570a_203496583355_100000694312 [0,0,1,1,0,0|1,0,0]=3 1733 B13R2.371 Cc1cnc(c2c1cccc2)O 271570a_203496583355_100000112005 [0,0,1,1,0,0|2,0,0]=4 1734 B13R2.371 Cc1ncc(c2c1cccc2)O 271570a_203496583355_100010239772 [0,0,1,1,0,0|2,0,0]=4 1735 B13R2.371 Nc1ccc(c2c1cccc2)O 271570a_203496583355_100000766797 [0,0,1,1,0,0|2,0,0]=4 1736 B13R2.371 Nc1ccc(c2c1nccc2)O 271570a_203496583355_100000726955 [0,0,1,1,0,0|2,0,0]=4 1737 B13R2.371 Oc1ccc(c2c1cccc2)Br 271570a_203496583355_100012339872 [0,0,1,1,0,0|2,0,0]=4 1738 B13R2.371 Oc1ccc(c2c1cccc2)F 271570a_203496583355_100011218216 [0,0,1,1,0,0|2,0,0]=4 1739 B13R2.371 Oc1ccc(c2c1cccc2)O 271570a_203496583355_100000186334 [0,0,1,1,0,0|2,0,0]=4 1740 B13R2.371 Oc1ccc(c2c1cccn2)F 271570a_203496583355_100010245834 [0,0,1,1,0,0|2,0,0]=4 1741 B13R2.371 Oc1ccc(c2c1cccn2)O 271570a_203496583355_100011934063 [0,0,1,1,0,0|2,0,0]=4 1742 B13R2.5151 Cc1ccc(c2c1C(=O)CC2)O 271570a_203496583355_100010091368 [0,0,1,1,0,0|0,0,2]=4 1743 B13R2.342 Cc1cccc2c1ccnc2O 271570a_203496583355_100012002547 [0,0,1,1,0,0|1,0,1]=4 1744 B13R2.342 O=c1[nH]ccc2c1cccc2O 271570a_203496583355_100000703947 [0,0,1,1,0,0|2,0,0]=4 1745 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,0,1,0,1,0|0,0,2]=4 1746 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,0,1,0,1,0|1,0,1]=4 1747 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,0,1,0,1,0|1,0,1]=4 1748 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,0,1,0,1,0|1,0,1]=4 1749 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,0,1,0,1,0|1,0,1]=4 1750 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,0,1,0,1,0|1,0,1]=4 1751 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,0,1,0,1,0|2,0,0]=4 1752 B11R1.75 CC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200000210301 [0,0,1,0,1,0|2,0,0]=4 1753 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [0,0,1,0,1,0|2,0,0]=4 1754 B11R1.75 CC(=O)C=Cc1ccc(o1)I 1458a_100000679848_200000210301 [0,0,1,0,1,0|2,0,0]=4 1755 B11R1.75 CC(=O)C=Cc1ccc(s1)C 1458a_100102558089_200000210301 [0,0,1,0,1,0|2,0,0]=4 1756 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [0,0,1,0,1,0|2,0,0]=4 1757 B11R1.75 Cc1ccc(s1)C=CC(=O)[13CH3] 1458a_100102558089_200025704644 [0,0,1,0,1,0|2,0,0]=4 1758 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200025704644 [0,0,1,0,1,0|2,0,0]=4 1759 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)I 1458a_100000679848_200025704644 [0,0,1,0,1,0|2,0,0]=4 1760 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,0,1,0,1,0|2,0,0]=4 1761 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,0,1,0,1,0|2,0,0]=4 1762 B11R1.157 CC(=Cc1cccc(=O)[nH]1)C 271570a_100102525489_100000761760 [0,0,1,0,1,0|1,0,1]=4 1763 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [0,0,1,0,1,0|2,0,0]=4 1764 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,0,1,0,1,0|1,0,1]=4 1765 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,0,1,0,1,0|1,0,1]=4 1766 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,0,1,0,1,0|2,0,0]=4 1767 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,0,1,0,1,0|2,0,0]=4 1768 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,0,1,0,1,0|2,0,0]=4 1769 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,0,1,0,1,0|2,0,0]=4 1770 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,0,1,0,1,0|1,0,1]=4 1771 B11R1.166 C=C(C)c1ccc(=O)[nH]c1N 271570a_100000694244_100009884077 [0,0,1,0,1,0|2,0,0]=4 1772 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [0,0,1,0,1,0|2,0,0]=4 1773 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [0,0,1,0,1,0|1,0,1]=4 1774 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [0,0,1,0,1,0|2,0,0]=4 1775 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [0,0,1,0,1,0|2,0,0]=4 1776 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [0,0,1,0,1,0|2,0,0]=4 1777 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [0,0,1,0,1,0|2,0,0]=4 1778 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,0,1,0,1,0|1,0,1]=4 1779 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,0,1,0,1,0|0,0,2]=4 1780 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,0,1,0,1,0|1,0,1]=4 1781 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,0,1,0,1,0|1,0,1]=4 1782 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,0,1,0,1,0|1,0,1]=4 1783 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,0,1,0,1,0|1,0,1]=4 1784 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,0,1,0,1,0|1,0,1]=4 1785 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,0,1,0,1,0|1,0,1]=4 1786 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,0,1,0,1,0|0,0,2]=4 1787 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,0,1,0,1,0|1,0,1]=4 1788 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,0,1,0,1,0|1,0,1]=4 1789 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,0,1,0,1,0|1,0,1]=4 1790 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,0,1,0,1,0|1,0,1]=4 1791 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,1,0|1,0,1]=4 1792 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,1,0|1,0,1]=4 1793 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,1,0|1,0,1]=4 1794 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,1,0|0,0,1]=3 1795 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,1,0|0,1,1]=4 1796 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [1,0,0,0,1,0|2,0,0]=4 1797 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [1,0,0,0,1,0|1,0,1]=4 1798 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [1,0,0,0,1,0|1,0,1]=4 1799 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [1,0,0,0,1,0|2,0,0]=4 1800 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [1,0,0,0,1,0|2,0,0]=4 1801 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [1,0,0,0,1,0|2,0,0]=4 1802 B11R2.36 Oc1ccc2cscc2c1 271570a_203496583355_200010760811 [1,0,0,0,1,0|2,0,0]=4 1803 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [1,0,0,0,1,0|1,0,0]=3 1804 B11R2.36 Oc1ccc2occc2n1 271570a_203496583355_100009851292 [1,0,0,0,1,0|2,0,0]=4 1805 B11R2.36 Oc1ccc2ocnc2c1 271570a_203496583355_100009816175 [1,0,0,0,1,0|2,0,0]=4 1806 B11R2.36 Oc1ccc2oncc2c1 271570a_203496583355_100009817723 [1,0,0,0,1,0|2,0,0]=4 1807 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [1,0,0,0,1,0|1,1,0]=4 1808 B13R1.14 C=CC(=NNc1ccc(cc1)C)C 4a_100000683527_200015361842 [0,0,1,0,0,1|2,0,0]=4 1809 B13R1.14 C=CC(=O)CCc1ccc(cc1)Br 1458a_100000185746_100011740612 [0,0,1,0,0,1|2,0,0]=4 1810 B13R1.14 C=CC(=O)CCc1ccc(cc1)C 1458a_100000185746_100011713686 [0,0,1,0,0,1|1,0,0]=3 1811 B13R1.14 C=CC(=O)CCc1ccc(cc1)Cl 1458a_100000185746_100011713675 [0,0,1,0,0,1|2,0,0]=4 1812 B13R1.14 C=CC(=O)CCc1ccc(cc1)F 1458a_100000185746_100011217392 [0,0,1,0,0,1|2,0,0]=4 1813 B13R1.14 C=CC(=O)CCc1ccc(cc1)O 1458a_100000185746_100009816426 [0,0,1,0,0,1|2,0,0]=4 1814 B13R1.14 C=CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000185746 [0,0,1,0,0,1|2,0,0]=4 1815 B13R1.14 C=CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_200121576911 [0,0,1,0,0,1|2,0,0]=4 1816 B13R1.14 C=CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100000185746 [0,0,1,0,0,1|1,0,0]=3 1817 B13R1.14 C=CC(=O)NCc1ccc(cc1)C 240690a_100000174908_200121576911 [0,0,1,0,0,1|1,0,0]=3 1818 B13R1.14 C=CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000185746 [0,0,1,0,0,1|2,0,0]=4 1819 B13R1.14 C=CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_200121576911 [0,0,1,0,0,1|2,0,0]=4 1820 B13R1.14 C=CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000185746 [0,0,1,0,0,1|2,0,0]=4 1821 B13R1.14 C=CC(=O)NCc1ccc(cc1)F 240690a_100000174882_200121576911 [0,0,1,0,0,1|2,0,0]=4 1822 B13R1.14 C=CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000185746 [0,0,1,0,0,1|2,0,0]=4 1823 B13R1.14 C=CC(=O)NCc1ccc(cc1)I 240690a_100016989417_200121576911 [0,0,1,0,0,1|2,0,0]=4 1824 B13R1.14 C=CC(=O)NCc1ccc(cc1)O 240690a_100000185549_200121576911 [0,0,1,0,0,1|2,0,0]=4 1825 B13R1.14 C=CC(=O)NCc1ccc(cn1)C 1626a_100015187455_100000185746 [0,0,1,0,0,1|2,0,0]=4 1826 B13R1.14 C=CC(=O)NCc1ccc(cn1)C 240690a_100015187455_200121576911 [0,0,1,0,0,1|2,0,0]=4 1827 B13R1.14 C=CC(=O)NCc1ccc(nc1)C 1626a_100000740942_100000185746 [0,0,1,0,0,1|2,0,0]=4 1828 B13R1.14 C=CC(=O)NCc1ccc(nc1)C 240690a_100000740942_200121576911 [0,0,1,0,0,1|2,0,0]=4 1829 B13R1.14 C=CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000185746 [0,0,1,0,0,1|2,0,0]=4 1830 B13R1.14 C=CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000185746 [0,0,1,0,0,1|1,0,0]=3 1831 B13R1.14 C=CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000185746 [0,0,1,0,0,1|2,0,0]=4 1832 B13R1.14 C=CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000185746 [0,0,1,0,0,1|2,0,0]=4 1833 B13R1.14 C=CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000185746 [0,0,1,0,0,1|2,0,0]=4 1834 B13R1.14 C=CC(=O)NNc1ccc(cn1)C 22a_100000746693_100000185746 [0,0,1,0,0,1|2,0,0]=4 1835 B13R1.14 C=CC(=O)NNc1ccc(nc1)C 22a_100020639869_100000185746 [0,0,1,0,0,1|2,0,0]=4 1836 B13R1.14 C=CC(C)OCc1ccc(cc1)C 34a_100000695699_100000210814 [0,0,1,0,0,1|1,0,1]=4 1837 B13R1.14 C=CC(O)COc1ccc(cc1)C 34a_100000210336_100000730141 [0,0,1,0,0,1|0,0,2]=4 1838 B13R1.14 C=CC(O)COc1ccc(cc1)C 7a_100000210336_100000730141 [0,0,1,0,0,1|0,0,2]=4 1839 B13R1.14 CCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000210202 [0,0,1,0,0,1|0,0,2]=4 1840 B13R1.14 CCC(=O)COc1ccc(cc1)C 7a_100000210336_100000747405 [0,0,1,0,0,1|0,0,2]=4 1841 B13R1.14 CNC(=O)COc1ccc(cc1)C 11a_106832991635_100000182360 [0,0,1,0,0,1|1,0,1]=4 1842 B13R1.14 CNC(=O)COc1ccc(cc1)C 1626a_100102657272_100000182360 [0,0,1,0,0,1|1,0,1]=4 1843 B13R1.14 CNC(=O)COc1ccc(cc1)C 240690a_100102657272_100000182360 [0,0,1,0,0,1|1,0,1]=4 1844 B13R1.14 CNC(=O)COc1ccc(cc1)C 34a_100000210336_100000183359 [0,0,1,0,0,1|1,0,1]=4 1845 B13R1.14 CNC(=O)COc1ccc(cc1)C 527a_100102657272_100000182360 [0,0,1,0,0,1|1,0,1]=4 1846 B13R1.14 CNC(=O)COc1ccc(cc1)C 7a_100000210336_100000183359 [0,0,1,0,0,1|1,0,1]=4 1847 B13R1.14 COC(=O)COc1ccc(cc1)C 34a_100000210336_100000747449 [0,0,1,0,0,1|1,0,1]=4 1848 B13R1.14 COC(=O)COc1ccc(cc1)C 7a_100000210336_100000747449 [0,0,1,0,0,1|1,0,1]=4 1849 B13R1.14 Cc1ccc(cc1)OCC(=O)CF 1458a_100000182360_100015361967 [0,0,1,0,0,1|1,0,1]=4 1850 B13R1.149 CC(=O)NN=Cc1cccc(c1)C 4a_100000189765_100000211157 [0,0,1,0,0,1|2,0,0]=4 1851 B13R1.149 Cc1cccc(c1)CNCC(=O)O 269956a_100016091260_100000005736 [0,0,1,0,0,1|0,0,2]=4 1852 B13R1.164 C=C(C)COc1ccc(cc1Br)C 34a_100000210800_100000748629 [0,0,1,0,0,1|2,0,0]=4 1853 B13R1.164 C=C(C)COc1ccc(cc1Br)C 7a_100000210800_100000748629 [0,0,1,0,0,1|2,0,0]=4 1854 B13R1.164 C=C(C)COc1ccc(cc1C)C 34a_100000211776_100000748629 [0,0,1,0,0,1|1,0,1]=4 1855 B13R1.164 C=C(C)COc1ccc(cc1C)C 7a_100000211776_100000748629 [0,0,1,0,0,1|1,0,1]=4 1856 B13R1.164 C=C(C)COc1ccc(cc1Cl)C 34a_100000749699_100000748629 [0,0,1,0,0,1|2,0,0]=4 1857 B13R1.164 C=C(C)COc1ccc(cc1Cl)C 7a_100000749699_100000748629 [0,0,1,0,0,1|2,0,0]=4 1858 B13R1.164 C=C(C)COc1ccc(cc1F)C 34a_100011216688_100000748629 [0,0,1,0,0,1|2,0,0]=4 1859 B13R1.164 C=C(C)COc1ccc(cc1F)C 7a_100011216688_100000748629 [0,0,1,0,0,1|2,0,0]=4 1860 B13R1.164 C=C(C)COc1ccc(cc1I)C 34a_100000765521_100000748629 [0,0,1,0,0,1|2,0,0]=4 1861 B13R1.164 C=C(C)COc1ccc(cc1I)C 7a_100000765521_100000748629 [0,0,1,0,0,1|2,0,0]=4 1862 B13R1.164 C=C(C)COc1ccc(cc1N)C 34a_100011215204_100000748629 [0,0,1,0,0,1|2,0,0]=4 1863 B13R1.164 C=C(C)COc1ccc(cc1N)C 7a_100011215204_100000748629 [0,0,1,0,0,1|2,0,0]=4 1864 B13R1.164 C=C(F)COc1ccc(cc1Br)C 34a_100000210800_100009893438 [0,0,1,0,0,1|2,0,0]=4 1865 B13R1.164 C=C(F)COc1ccc(cc1Br)C 7a_100000210800_100000042424 [0,0,1,0,0,1|2,0,0]=4 1866 B13R1.164 C=C(F)COc1ccc(cc1C)C 34a_100000211776_100009893438 [0,0,1,0,0,1|1,0,1]=4 1867 B13R1.164 C=C(F)COc1ccc(cc1C)C 7a_100000211776_100000042424 [0,0,1,0,0,1|1,0,1]=4 1868 B13R1.164 C=C(F)COc1ccc(cc1Cl)C 34a_100000749699_100009893438 [0,0,1,0,0,1|2,0,0]=4 1869 B13R1.164 C=C(F)COc1ccc(cc1Cl)C 7a_100000749699_100000042424 [0,0,1,0,0,1|2,0,0]=4 1870 B13R1.164 C=C(F)COc1ccc(cc1F)C 34a_100011216688_100009893438 [0,0,1,0,0,1|2,0,0]=4 1871 B13R1.164 C=C(F)COc1ccc(cc1F)C 7a_100011216688_100000042424 [0,0,1,0,0,1|2,0,0]=4 1872 B13R1.164 C=C(F)COc1ccc(cc1I)C 34a_100000765521_100009893438 [0,0,1,0,0,1|2,0,0]=4 1873 B13R1.164 C=C(F)COc1ccc(cc1I)C 7a_100000765521_100000042424 [0,0,1,0,0,1|2,0,0]=4 1874 B13R1.164 C=C(F)COc1ccc(cc1N)C 34a_100011215204_100009893438 [0,0,1,0,0,1|2,0,0]=4 1875 B13R1.164 C=C(F)COc1ccc(cc1N)C 7a_100011215204_100000042424 [0,0,1,0,0,1|2,0,0]=4 1876 B13R1.164 CC(=O)COc1ccc(cc1Br)C 1458a_100000186371_200000210301 [0,0,1,0,0,1|1,0,1]=4 1877 B13R1.164 CC(=O)COc1ccc(cc1C)C 1458a_200000185146_200000210301 [0,0,1,0,0,1|0,0,2]=4 1878 B13R1.164 CC(=O)COc1ccc(cc1Cl)C 1458a_200011725833_200000210301 [0,0,1,0,0,1|1,0,1]=4 1879 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)N 34a_100000210800_100000187820 [0,0,1,0,0,1|2,0,0]=4 1880 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)N 7a_100000210800_100000187820 [0,0,1,0,0,1|2,0,0]=4 1881 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)[13CH3] 1458a_100000186371_200025704644 [0,0,1,0,0,1|1,0,1]=4 1882 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)[O-] 34a_100000210800_100020667443 [0,0,1,0,0,1|2,0,0]=4 1883 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)N 34a_100000211776_100000187820 [0,0,1,0,0,1|1,0,1]=4 1884 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)N 7a_100000211776_100000187820 [0,0,1,0,0,1|1,0,1]=4 1885 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)[13CH3] 1458a_200000185146_200025704644 [0,0,1,0,0,1|0,0,2]=4 1886 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)[O-] 34a_100000211776_100020667443 [0,0,1,0,0,1|1,0,1]=4 1887 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)N 34a_100000749699_100000187820 [0,0,1,0,0,1|2,0,0]=4 1888 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)N 7a_100000749699_100000187820 [0,0,1,0,0,1|2,0,0]=4 1889 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)[13CH3] 1458a_200011725833_200025704644 [0,0,1,0,0,1|1,0,1]=4 1890 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)[O-] 34a_100000749699_100020667443 [0,0,1,0,0,1|2,0,0]=4 1891 B13R1.164 Cc1ccc(c(c1)F)OCC(=O)N 34a_100011216688_100000187820 [0,0,1,0,0,1|2,0,0]=4 1892 B13R1.164 Cc1ccc(c(c1)F)OCC(=O)N 7a_100011216688_100000187820 [0,0,1,0,0,1|2,0,0]=4 1893 B13R1.164 Cc1ccc(c(c1)F)OCC(=O)[O-] 34a_100011216688_100020667443 [0,0,1,0,0,1|2,0,0]=4 1894 B13R1.164 Cc1ccc(c(c1)I)OCC(=O)N 34a_100000765521_100000187820 [0,0,1,0,0,1|2,0,0]=4 1895 B13R1.164 Cc1ccc(c(c1)I)OCC(=O)N 7a_100000765521_100000187820 [0,0,1,0,0,1|2,0,0]=4 1896 B13R1.164 Cc1ccc(c(c1)I)OCC(=O)[O-] 34a_100000765521_100020667443 [0,0,1,0,0,1|2,0,0]=4 1897 B13R1.164 Cc1ccc(c(c1)N)OCC(=O)N 34a_100011215204_100000187820 [0,0,1,0,0,1|2,0,0]=4 1898 B13R1.164 Cc1ccc(c(c1)N)OCC(=O)N 7a_100011215204_100000187820 [0,0,1,0,0,1|2,0,0]=4 1899 B13R1.164 Cc1ccc(c(c1)N)OCC(=O)[O-] 34a_100011215204_100020667443 [0,0,1,0,0,1|2,0,0]=4 1900 B13R1.164 Cc1ccc(c(c1)O)OCC(=O)N 271570a_203496583355_200000148664 [0,0,1,0,0,1|2,0,0]=4