0 B13R2.10 Brc1csc(n1)c2ccccc2 271570a_100011218836_200016082925 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.10 Cc1c[nH]c(n1)c2ccccc2 271570a_100011218836_100161115468 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.10 Cc1csc(n1)c2ccccc2 271570a_100011218836_100011291629 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.10 Cc1nc(c[nH]1)c2ccccc2 271570a_100011218836_100009814057 [0,0,0,0,0,0|2,0,2]=4 7 B13R2.10 Cc1nc(cs1)c2ccccc2 271570a_100011218836_100011934587 [0,0,0,0,0,0|1,1,2]=4 8 B13R2.10 Cc1nc(n[nH]1)c2ccccc2 271570a_100011218836_100000732540 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.10 Cc1nc(no1)c2ccccc2 270196a_100000210280_100000070787 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.10 Cc1nc(no1)c2ccccc2 271570a_100011218836_100012003639 [0,0,0,0,0,0|2,0,1]=3 11 B13R2.10 Cc1nc(no1)c2ccccn2 270196a_100000188563_100000070787 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.10 Cc1nc(no1)c2ccccn2 271570a_100011264011_100012003639 [0,0,0,0,0,0|3,0,1]=4 13 B13R2.10 Cc1nc(no1)c2cccnc2 270196a_100000188564_100000070787 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.10 Cc1nc(no1)c2cccnc2 271570a_100000757648_100012003639 [0,0,0,0,0,0|3,0,1]=4 15 B13R2.10 Cc1nc(no1)c2ccncc2 270196a_100000188565_100000070787 [0,0,0,0,0,0|3,0,1]=4 16 B13R2.10 Cc1nc(no1)c2ccncc2 271570a_100000752145_100012003639 [0,0,0,0,0,0|3,0,1]=4 17 B13R2.10 Cc1noc(n1)c2ccccc2 270196a_100000212224_100000185807 [0,0,0,0,0,0|3,0,1]=4 18 B13R2.10 Cc1nsc(n1)c2ccccc2 271570a_100011218836_100000709739 [0,0,0,0,0,0|3,0,1]=4 19 B13R2.10 Nc1cc(n[nH]1)c2ccccc2 271570a_100011218836_100009822546 [0,0,0,0,0,0|3,0,1]=4 20 B13R2.10 Nc1csc(n1)c2ccccc2 271570a_100011218836_200015188442 [0,0,0,0,0,0|2,0,1]=3 21 B13R2.10 Nc1csc(n1)c2ccccn2 271570a_100011264011_200015188442 [0,0,0,0,0,0|3,0,1]=4 22 B13R2.10 Nc1csc(n1)c2cccnc2 271570a_100000757648_200015188442 [0,0,0,0,0,0|3,0,1]=4 23 B13R2.10 Nc1csc(n1)c2ccncc2 271570a_100000752145_200015188442 [0,0,0,0,0,0|3,0,1]=4 24 B13R2.10 Nc1nc(cs1)c2ccccc2 271570a_100011218836_100011998049 [0,0,0,0,0,0|0,1,2]=3 25 B13R2.10 Nc1nc(cs1)c2ccccn2 271570a_100011264011_100011998049 [0,0,0,0,0,0|1,1,2]=4 26 B13R2.10 Nc1nc(cs1)c2cccnc2 271570a_100000757648_100011998049 [0,0,0,0,0,0|1,1,2]=4 27 B13R2.10 Nc1nc(cs1)c2ccncc2 271570a_100000752145_100011998049 [0,0,0,0,0,0|1,1,2]=4 28 B13R2.10 Nc1nc(n[nH]1)c2ccccc2 271570a_100011218836_100015184587 [0,0,0,0,0,0|2,0,1]=3 29 B13R2.10 Nc1nc(n[nH]1)c2ccccn2 271570a_100011264011_100015184587 [0,0,0,0,0,0|3,0,1]=4 30 B13R2.10 Nc1nc(n[nH]1)c2cccnc2 271570a_100000757648_100015184587 [0,0,0,0,0,0|3,0,1]=4 31 B13R2.10 Nc1nc(n[nH]1)c2ccncc2 271570a_100000752145_100015184587 [0,0,0,0,0,0|3,0,1]=4 32 B13R2.10 Nc1nnc(s1)c2ccccc2 271570a_100011218836_100000738278 [0,0,0,0,0,0|3,0,1]=4 33 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [0,0,0,0,0,0|3,0,1]=4 34 B13R2.10 Oc1c[nH]c(n1)c2ccccc2 271570a_203496583355_200010210587 [0,0,0,0,0,0|3,0,1]=4 35 B13R2.10 Oc1coc(n1)c2ccccc2 271570a_203496583355_100010163736 [0,0,0,0,0,0|3,0,1]=4 36 B13R2.10 Oc1n[nH]c(n1)c2ccccc2 271570a_203496583355_100010173362 [0,0,0,0,0,0|3,0,1]=4 37 B13R2.10 Oc1nc(cs1)c2ccccc2 271570a_203496583355_100011830410 [0,0,0,0,0,0|1,1,2]=4 38 B13R2.10 Oc1nc(no1)c2ccccc2 270196a_100000210280_100015183105 [0,0,0,0,0,0|2,0,1]=3 39 B13R2.10 Oc1nc(no1)c2ccccn2 270196a_100000188563_100015183105 [0,0,0,0,0,0|3,0,1]=4 40 B13R2.10 Oc1nc(no1)c2cccnc2 270196a_100000188564_100015183105 [0,0,0,0,0,0|3,0,1]=4 41 B13R2.10 Oc1nc(no1)c2ccncc2 270196a_100000188565_100015183105 [0,0,0,0,0,0|3,0,1]=4 42 B13R2.10 Oc1noc(n1)c2ccccc2 271570a_203496583355_200000701163 [0,0,0,0,0,0|3,0,1]=4 43 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [0,0,0,0,0,0|4,0,0]=4 44 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [0,0,0,0,0,0|4,0,0]=4 45 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [0,0,0,0,0,0|4,0,0]=4 46 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [1,0,0,0,0,0|1,0,2]=4 47 B12R2.2 c1ccc(cc1)c2c[nH]cn2 271570a_100011218836_100000756875 [1,0,0,0,0,0|1,0,2]=4 48 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218836_100011215275 [1,0,0,0,0,0|1,0,2]=4 49 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218838_100000210277 [1,0,0,0,0,0|1,0,2]=4 50 B12R2.2 c1ccc(cc1)c2cscn2 271570a_100011218836_100000751502 [1,0,0,0,0,0|0,1,2]=4 51 B12R2.2 c1ccc(cc1)c2nc[nH]n2 271570a_100011218836_100000761765 [1,0,0,0,0,0|2,0,1]=4 52 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100011218836_100025796157 [1,0,0,0,0,0|2,0,1]=4 53 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000210277 [1,0,0,0,0,0|2,0,1]=4 54 B12R2.2 c1ccc(cc1)c2ncco2 271570a_100011218836_100011787736 [1,0,0,0,0,0|2,0,1]=4 55 B12R2.2 c1ccc(cc1)c2nccs2 271570a_100011218836_100000211983 [1,0,0,0,0,0|2,0,1]=4 56 B12R2.2 c1ccc(cc1)c2ncns2 271570a_100011218836_100000693119 [1,0,0,0,0,0|2,0,1]=4 57 B14R2.8 CCc1nc(no1)c2ccccc2 270196a_100000210280_100000210414 [0,1,0,0,0,0|2,0,1]=4 58 B14R2.8 CCc1nc(no1)c2ccccc2 271570a_100011218836_100012003642 [0,1,0,0,0,0|2,0,1]=4 59 B14R2.8 CNC1CCC(C1)c2ccccc2 270004a_106832991635_100000750937 [0,1,0,0,0,0|2,0,1]=4 60 B14R2.8 CNc1nc(cs1)c2ccccc2 27a_100102657272_100011830410 [0,1,0,0,0,0|0,1,2]=4 61 B14R2.8 CNc1noc(n1)c2ccccc2 27a_100102657272_200000701163 [0,1,0,0,0,0|2,0,1]=4 62 B14R2.8 OCc1nc(no1)c2ccccc2 270196a_100000210280_100000210174 [0,1,0,0,0,0|2,0,1]=4 63 B14R2.20 Cc1ccc(cc1)c2csc(n2)N 271570a_100000708704_100011998049 [0,1,0,0,0,0|0,1,2]=4 64 B14R2.20 Cc1ccc(cc1)c2n[nH]c(n2)N 271570a_100000708704_100015184587 [0,1,0,0,0,0|2,0,1]=4 65 B14R2.20 Cc1ccc(cc1)c2nc(cs2)N 271570a_100000708704_200015188442 [0,1,0,0,0,0|2,0,1]=4 66 B14R2.20 Cc1ccc(cc1)c2noc(n2)C 270196a_100000184614_100000070787 [0,1,0,0,0,0|2,0,1]=4 67 B14R2.20 Cc1ccc(cc1)c2noc(n2)C 271570a_100000708704_100012003639 [0,1,0,0,0,0|2,0,1]=4 68 B14R2.20 Cc1ccc(cc1)c2noc(n2)O 270196a_100000184614_100015183105 [0,1,0,0,0,0|2,0,1]=4 69 B14R2.20 Cc1nc(no1)c2ccc(cc2)Br 270196a_100000179745_100000070787 [0,1,0,0,0,0|2,0,1]=4 70 B14R2.20 Cc1nc(no1)c2ccc(cc2)Br 271570a_100010235827_100012003639 [0,1,0,0,0,0|2,0,1]=4 71 B14R2.20 Cc1nc(no1)c2ccc(cc2)Cl 270196a_100000184291_100000070787 [0,1,0,0,0,0|2,0,1]=4 72 B14R2.20 Cc1nc(no1)c2ccc(cc2)Cl 271570a_100011213355_100012003639 [0,1,0,0,0,0|2,0,1]=4 73 B14R2.20 Cc1nc(no1)c2ccc(cc2)F 270196a_100000180203_100000070787 [0,1,0,0,0,0|2,0,1]=4 74 B14R2.20 Cc1nc(no1)c2ccc(cc2)F 271570a_100011934326_100012003639 [0,1,0,0,0,0|2,0,1]=4 75 B14R2.20 Cc1nc(no1)c2ccc(cc2)I 270196a_100000188568_100000070787 [0,1,0,0,0,0|2,0,1]=4 76 B14R2.20 Cc1nc(no1)c2ccc(cc2)I 271570a_100000033156_100012003639 [0,1,0,0,0,0|2,0,1]=4 77 B14R2.20 Cc1nc(no1)c2ccc(cc2)N 271570a_100015188457_100012003639 [0,1,0,0,0,0|2,0,1]=4 78 B14R2.20 Cc1nc(no1)c2ccc(cc2)O 270196a_100000210344_100000070787 [0,1,0,0,0,0|2,0,1]=4 79 B14R2.20 Cc1nc(no1)c2ccc(cc2)O 271570a_100015205159_100012003639 [0,1,0,0,0,0|2,0,1]=4 80 B14R2.20 Cc1nc(no1)c2ccc(cc2)O 271570a_203496583355_200000756730 [0,1,0,0,0,0|2,0,1]=4 81 B14R2.20 Nc1cc(no1)c2ccc(cc2)O 271570a_203496583355_100000238412 [0,1,0,0,0,0|2,0,1]=4 82 B14R2.20 Nc1ccc(cc1)c2csc(n2)N 271570a_100015188457_100011998049 [0,1,0,0,0,0|0,1,2]=4 83 B14R2.20 Nc1ccc(cc1)c2n[nH]c(n2)N 271570a_100015188457_100015184587 [0,1,0,0,0,0|2,0,1]=4 84 B14R2.20 Nc1ccc(cc1)c2nc(cs2)N 271570a_100015188457_200015188442 [0,1,0,0,0,0|2,0,1]=4 85 B14R2.20 Nc1csc(n1)c2ccc(cc2)Br 271570a_100010235827_200015188442 [0,1,0,0,0,0|2,0,1]=4 86 B14R2.20 Nc1csc(n1)c2ccc(cc2)Cl 271570a_100011213355_200015188442 [0,1,0,0,0,0|2,0,1]=4 87 B14R2.20 Nc1csc(n1)c2ccc(cc2)F 271570a_100011934326_200015188442 [0,1,0,0,0,0|2,0,1]=4 88 B14R2.20 Nc1csc(n1)c2ccc(cc2)I 271570a_100000033156_200015188442 [0,1,0,0,0,0|2,0,1]=4 89 B14R2.20 Nc1csc(n1)c2ccc(cc2)O 271570a_100015205159_200015188442 [0,1,0,0,0,0|2,0,1]=4 90 B14R2.20 Nc1nc(cs1)c2ccc(cc2)Br 271570a_100010235827_100011998049 [0,1,0,0,0,0|0,1,2]=4 91 B14R2.20 Nc1nc(cs1)c2ccc(cc2)Cl 271570a_100011213355_100011998049 [0,1,0,0,0,0|0,1,2]=4 92 B14R2.20 Nc1nc(cs1)c2ccc(cc2)F 271570a_100011934326_100011998049 [0,1,0,0,0,0|0,1,2]=4 93 B14R2.20 Nc1nc(cs1)c2ccc(cc2)I 271570a_100000033156_100011998049 [0,1,0,0,0,0|0,1,2]=4 94 B14R2.20 Nc1nc(cs1)c2ccc(cc2)O 271570a_100015205159_100011998049 [0,1,0,0,0,0|0,1,2]=4 95 B14R2.20 Nc1nc(cs1)c2ccc(cc2)O 271570a_203496583355_100000176804 [0,1,0,0,0,0|0,1,2]=4 96 B14R2.20 Nc1nc(n[nH]1)c2ccc(cc2)Br 271570a_100010235827_100015184587 [0,1,0,0,0,0|2,0,1]=4 97 B14R2.20 Nc1nc(n[nH]1)c2ccc(cc2)Cl 271570a_100011213355_100015184587 [0,1,0,0,0,0|2,0,1]=4 98 B14R2.20 Nc1nc(n[nH]1)c2ccc(cc2)F 271570a_100011934326_100015184587 [0,1,0,0,0,0|2,0,1]=4 99 B14R2.20 Nc1nc(n[nH]1)c2ccc(cc2)I 271570a_100000033156_100015184587 [0,1,0,0,0,0|2,0,1]=4 100 B14R2.20 Nc1nc(n[nH]1)c2ccc(cc2)O 271570a_100015205159_100015184587 [0,1,0,0,0,0|2,0,1]=4 101 B14R2.20 O=C1CCC(N1)c2ccc(cc2)O 271570a_203496583355_100010201990 [0,1,0,0,0,0|2,0,1]=4 102 B14R2.20 Oc1ccc(cc1)c2noc(n2)O 270196a_100000210344_100015183105 [0,1,0,0,0,0|2,0,1]=4 103 B14R2.20 Oc1nc(no1)c2ccc(cc2)Br 270196a_100000179745_100015183105 [0,1,0,0,0,0|2,0,1]=4 104 B14R2.20 Oc1nc(no1)c2ccc(cc2)Cl 270196a_100000184291_100015183105 [0,1,0,0,0,0|2,0,1]=4 105 B14R2.20 Oc1nc(no1)c2ccc(cc2)F 270196a_100000180203_100015183105 [0,1,0,0,0,0|2,0,1]=4 106 B14R2.20 Oc1nc(no1)c2ccc(cc2)I 270196a_100000188568_100015183105 [0,1,0,0,0,0|2,0,1]=4 107 B14R2.22 Cc1cccc(c1)c2csc(n2)N 271570a_100000749446_100011998049 [0,1,0,0,0,0|0,1,2]=4 108 B14R2.22 Cc1cccc(c1)c2n[nH]c(n2)N 271570a_100000749446_100015184587 [0,1,0,0,0,0|2,0,1]=4 109 B14R2.22 Cc1cccc(c1)c2nc(cs2)N 271570a_100000749446_200015188442 [0,1,0,0,0,0|2,0,1]=4 110 B14R2.22 Cc1cccc(c1)c2noc(n2)C 270196a_100000211888_100000070787 [0,1,0,0,0,0|2,0,1]=4 111 B14R2.22 Cc1cccc(c1)c2noc(n2)C 271570a_100000749446_100012003639 [0,1,0,0,0,0|2,0,1]=4 112 B14R2.22 Cc1cccc(c1)c2noc(n2)O 270196a_100000211888_100015183105 [0,1,0,0,0,0|2,0,1]=4 113 B14R2.22 Cc1nc(no1)c2cccc(c2)Br 270196a_100000189340_100000070787 [0,1,0,0,0,0|2,0,1]=4 114 B14R2.22 Cc1nc(no1)c2cccc(c2)Cl 270196a_100000184780_100000070787 [0,1,0,0,0,0|2,0,1]=4 115 B14R2.22 Cc1nc(no1)c2cccc(c2)Cl 271570a_100011214927_100012003639 [0,1,0,0,0,0|2,0,1]=4 116 B14R2.22 Cc1nc(no1)c2cccc(c2)F 270196a_100000181210_100000070787 [0,1,0,0,0,0|2,0,1]=4 117 B14R2.22 Cc1nc(no1)c2cccc(c2)F 271570a_100012349223_100012003639 [0,1,0,0,0,0|2,0,1]=4 118 B14R2.22 Cc1nc(no1)c2cccc(c2)I 270196a_100000188567_100000070787 [0,1,0,0,0,0|2,0,1]=4 119 B14R2.22 Cc1nc(no1)c2cccc(c2)I 271570a_100000043368_100012003639 [0,1,0,0,0,0|2,0,1]=4 120 B14R2.22 Cc1nc(no1)c2cccc(c2)N 271570a_100000699968_100012003639 [0,1,0,0,0,0|2,0,1]=4 121 B14R2.22 Cc1nc(no1)c2cccc(c2)O 270196a_100000184713_100000070787 [0,1,0,0,0,0|2,0,1]=4 122 B14R2.22 Cc1nc(no1)c2cccc(c2)O 271570a_100000693801_100012003639 [0,1,0,0,0,0|2,0,1]=4 123 B14R2.22 Cc1nc(no1)c2cccc(c2)O 271570a_203496583355_200000756728 [0,1,0,0,0,0|2,0,1]=4 124 B14R2.22 Nc1cc(no1)c2cccc(c2)O 271570a_203496583355_100000747011 [0,1,0,0,0,0|2,0,1]=4 125 B14R2.22 Nc1cccc(c1)c2csc(n2)N 271570a_100000699968_100011998049 [0,1,0,0,0,0|0,1,2]=4 126 B14R2.22 Nc1cccc(c1)c2n[nH]c(n2)N 271570a_100000699968_100015184587 [0,1,0,0,0,0|2,0,1]=4 127 B14R2.22 Nc1cccc(c1)c2nc(cs2)N 271570a_100000699968_200015188442 [0,1,0,0,0,0|2,0,1]=4 128 B14R2.22 Nc1csc(n1)c2cccc(c2)Cl 271570a_100011214927_200015188442 [0,1,0,0,0,0|2,0,1]=4 129 B14R2.22 Nc1csc(n1)c2cccc(c2)F 271570a_100012349223_200015188442 [0,1,0,0,0,0|2,0,1]=4 130 B14R2.22 Nc1csc(n1)c2cccc(c2)I 271570a_100000043368_200015188442 [0,1,0,0,0,0|2,0,1]=4 131 B14R2.22 Nc1csc(n1)c2cccc(c2)O 271570a_100000693801_200015188442 [0,1,0,0,0,0|2,0,1]=4 132 B14R2.22 Nc1nc(cs1)c2cccc(c2)Cl 271570a_100011214927_100011998049 [0,1,0,0,0,0|0,1,2]=4 133 B14R2.22 Nc1nc(cs1)c2cccc(c2)F 271570a_100012349223_100011998049 [0,1,0,0,0,0|0,1,2]=4 134 B14R2.22 Nc1nc(cs1)c2cccc(c2)I 271570a_100000043368_100011998049 [0,1,0,0,0,0|0,1,2]=4 135 B14R2.22 Nc1nc(cs1)c2cccc(c2)O 271570a_100000693801_100011998049 [0,1,0,0,0,0|0,1,2]=4 136 B14R2.22 Nc1nc(cs1)c2cccc(c2)O 271570a_203496583355_103437233500 [0,1,0,0,0,0|0,1,2]=4 137 B14R2.22 Nc1nc(n[nH]1)c2cccc(c2)Cl 271570a_100011214927_100015184587 [0,1,0,0,0,0|2,0,1]=4 138 B14R2.22 Nc1nc(n[nH]1)c2cccc(c2)F 271570a_100012349223_100015184587 [0,1,0,0,0,0|2,0,1]=4 139 B14R2.22 Nc1nc(n[nH]1)c2cccc(c2)I 271570a_100000043368_100015184587 [0,1,0,0,0,0|2,0,1]=4 140 B14R2.22 Nc1nc(n[nH]1)c2cccc(c2)O 271570a_100000693801_100015184587 [0,1,0,0,0,0|2,0,1]=4 141 B14R2.22 Oc1cccc(c1)c2noc(n2)O 270196a_100000184713_100015183105 [0,1,0,0,0,0|2,0,1]=4 142 B14R2.22 Oc1nc(no1)c2cccc(c2)Br 270196a_100000189340_100015183105 [0,1,0,0,0,0|2,0,1]=4 143 B14R2.22 Oc1nc(no1)c2cccc(c2)Cl 270196a_100000184780_100015183105 [0,1,0,0,0,0|2,0,1]=4 144 B14R2.22 Oc1nc(no1)c2cccc(c2)F 270196a_100000181210_100015183105 [0,1,0,0,0,0|2,0,1]=4 145 B14R2.22 Oc1nc(no1)c2cccc(c2)I 270196a_100000188567_100015183105 [0,1,0,0,0,0|2,0,1]=4 146 B14R2.256 Cc1ccccc1c2csc(n2)N 271570a_100000747142_100011998049 [0,1,0,0,0,0|0,1,2]=4 147 B14R2.256 Cc1ccccc1c2n[nH]c(n2)N 271570a_100000747142_100015184587 [0,1,0,0,0,0|2,0,1]=4 148 B14R2.256 Cc1ccccc1c2nc(cs2)N 271570a_100000747142_200015188442 [0,1,0,0,0,0|2,0,1]=4 149 B14R2.256 Cc1ccccc1c2noc(n2)O 270196a_100000211187_100015183105 [0,1,0,0,0,0|2,0,1]=4 150 B14R2.256 Cc1nc(no1)c2ccccc2Br 270196a_100000188569_100000070787 [0,1,0,0,0,0|2,0,1]=4 151 B14R2.256 Cc1nc(no1)c2ccccc2C 270196a_100000211187_100000070787 [0,1,0,0,0,0|2,0,1]=4 152 B14R2.256 Cc1nc(no1)c2ccccc2C 271570a_100000747142_100012003639 [0,1,0,0,0,0|2,0,1]=4 153 B14R2.256 Cc1nc(no1)c2ccccc2Cl 270196a_100000189299_100000070787 [0,1,0,0,0,0|2,0,1]=4 154 B14R2.256 Cc1nc(no1)c2ccccc2Cl 271570a_100011934419_100012003639 [0,1,0,0,0,0|2,0,1]=4 155 B14R2.256 Cc1nc(no1)c2ccccc2F 270196a_100000188562_100000070787 [0,1,0,0,0,0|2,0,1]=4 156 B14R2.256 Cc1nc(no1)c2ccccc2F 271570a_100000761933_100012003639 [0,1,0,0,0,0|2,0,1]=4 157 B14R2.256 Cc1nc(no1)c2ccccc2I 270196a_100000188566_100000070787 [0,1,0,0,0,0|2,0,1]=4 158 B14R2.256 Cc1nc(no1)c2ccccc2I 271570a_100000069755_100012003639 [0,1,0,0,0,0|2,0,1]=4 159 B14R2.256 Cc1nc(no1)c2ccccc2N 271570a_100000034411_100012003639 [0,1,0,0,0,0|2,0,1]=4 160 B14R2.256 Cc1nc(no1)c2ccccc2O 270196a_100000211048_100000070787 [0,1,0,0,0,0|2,0,1]=4 161 B14R2.256 Cc1nc(no1)c2ccccc2O 271570a_100000035170_100012003639 [0,1,0,0,0,0|2,0,1]=4 162 B14R2.256 Cc1nc(no1)c2ccccc2O 271570a_203496583355_100000756727 [0,1,0,0,0,0|2,0,1]=4 163 B14R2.256 Nc1cc(no1)c2ccccc2O 271570a_203496583355_100000751793 [0,1,0,0,0,0|2,0,1]=4 164 B14R2.256 Nc1csc(n1)c2ccccc2Cl 271570a_100011934419_200015188442 [0,1,0,0,0,0|2,0,1]=4 165 B14R2.256 Nc1csc(n1)c2ccccc2F 271570a_100000761933_200015188442 [0,1,0,0,0,0|2,0,1]=4 166 B14R2.256 Nc1csc(n1)c2ccccc2I 271570a_100000069755_200015188442 [0,1,0,0,0,0|2,0,1]=4 167 B14R2.256 Nc1csc(n1)c2ccccc2N 271570a_100000034411_200015188442 [0,1,0,0,0,0|2,0,1]=4 168 B14R2.256 Nc1csc(n1)c2ccccc2O 271570a_100000035170_200015188442 [0,1,0,0,0,0|2,0,1]=4 169 B14R2.256 Nc1nc(cs1)c2ccccc2Cl 271570a_100011934419_100011998049 [0,1,0,0,0,0|0,1,2]=4 170 B14R2.256 Nc1nc(cs1)c2ccccc2F 271570a_100000761933_100011998049 [0,1,0,0,0,0|0,1,2]=4 171 B14R2.256 Nc1nc(cs1)c2ccccc2I 271570a_100000069755_100011998049 [0,1,0,0,0,0|0,1,2]=4 172 B14R2.256 Nc1nc(cs1)c2ccccc2N 271570a_100000034411_100011998049 [0,1,0,0,0,0|0,1,2]=4 173 B14R2.256 Nc1nc(cs1)c2ccccc2O 271570a_100000035170_100011998049 [0,1,0,0,0,0|0,1,2]=4 174 B14R2.256 Nc1nc(cs1)c2ccccc2O 271570a_203496583355_200000168896 [0,1,0,0,0,0|0,1,2]=4 175 B14R2.256 Nc1nc(n[nH]1)c2ccccc2Cl 271570a_100011934419_100015184587 [0,1,0,0,0,0|2,0,1]=4 176 B14R2.256 Nc1nc(n[nH]1)c2ccccc2F 271570a_100000761933_100015184587 [0,1,0,0,0,0|2,0,1]=4 177 B14R2.256 Nc1nc(n[nH]1)c2ccccc2I 271570a_100000069755_100015184587 [0,1,0,0,0,0|2,0,1]=4 178 B14R2.256 Nc1nc(n[nH]1)c2ccccc2N 271570a_100000034411_100015184587 [0,1,0,0,0,0|2,0,1]=4 179 B14R2.256 Nc1nc(n[nH]1)c2ccccc2O 271570a_100000035170_100015184587 [0,1,0,0,0,0|2,0,1]=4 180 B14R2.256 O=C1CC(CN1)c2ccccc2O 271570a_203496583355_100015473168 [0,1,0,0,0,0|3,0,0]=4 181 B14R2.256 Oc1nc(no1)c2ccccc2Br 270196a_100000188569_100015183105 [0,1,0,0,0,0|2,0,1]=4 182 B14R2.256 Oc1nc(no1)c2ccccc2Cl 270196a_100000189299_100015183105 [0,1,0,0,0,0|2,0,1]=4 183 B14R2.256 Oc1nc(no1)c2ccccc2F 270196a_100000188562_100015183105 [0,1,0,0,0,0|2,0,1]=4 184 B14R2.256 Oc1nc(no1)c2ccccc2I 270196a_100000188566_100015183105 [0,1,0,0,0,0|2,0,1]=4 185 B14R2.256 Oc1nc(no1)c2ccccc2O 270196a_100000211048_100015183105 [0,1,0,0,0,0|2,0,1]=4 186 B14R2.260 Cn1cc(nc1N)c2ccccc2 271570a_100011218836_100025756272 [0,1,0,0,0,0|1,0,2]=4 187 B14R2.260 Cn1nc(nc1N)c2ccccc2 271570a_100011218836_200010296169 [0,1,0,0,0,0|2,0,1]=4 188 B14R2.598 Cc1sc(nc1c2ccccc2)N 271570a_100011218836_100009817509 [0,1,0,0,0,0|0,1,2]=4 189 B14R2.598 Nc1nc(c(s1)O)c2ccccc2 271570a_203496583355_100000689622 [0,1,0,0,0,0|0,1,2]=4 190 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [0,0,1,0,0,0|1,0,2]=4 191 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [0,0,1,0,0,0|1,0,2]=4 192 B12R1.3 OC[C@@H](NCF)c1ccccc1 34a_100000751927_100015361967 [0,0,1,0,0,0|1,0,2]=4 193 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,0,1,0,0,0|3,0,0]=4 194 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,0,1,0,0,0|3,0,0]=4 195 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,0,1,0,0,0|2,0,1]=4 196 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,0,1,0,0,0|2,0,1]=4 197 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,0,1,0,0,0|2,0,1]=4 198 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,0,1,0,0,0|2,0,1]=4 199 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,0,1,0,0,0|3,0,0]=4 200 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,0,1,0,0,0|3,0,0]=4 201 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,0,1,0,0,0|3,0,0]=4 202 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,0,1,0,0,0|3,0,0]=4 203 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,0,1,0,0,0|2,0,1]=4 204 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,0,1,0,0,0|2,0,1]=4 205 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,0,1,0,0,0|2,0,1]=4 206 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,0,1,0,0,0|2,0,1]=4 207 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,0,1,0,0,0|2,0,1]=4 208 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,0,1,0,0,0|2,0,1]=4 209 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,0,1,0,0,0|3,0,0]=4 210 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,0,1,0,0,0|3,0,0]=4 211 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,0,1,0,0,0|3,0,0]=4 212 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,0,1,0,0,0|3,0,0]=4 213 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,0,1,0,0,0|3,0,0]=4 214 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,0,1,0,0,0|2,0,1]=4 215 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,0,1,0,0,0|2,0,1]=4 216 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,0,1,0,0,0|2,0,1]=4 217 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,0,1,0,0,0|2,0,1]=4 218 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,0,1,0,0,0|2,0,1]=4 219 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,0,1,0,0,0|2,0,1]=4 220 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [0,0,1,0,0,0|2,0,1]=4 221 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [0,0,1,0,0,0|2,0,1]=4 222 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,0,1,0,0,0|2,0,1]=4 223 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,0,1,0,0,0|2,0,1]=4 224 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,0,1,0,0,0|2,0,1]=4 225 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,0,1,0,0,0|2,0,1]=4 226 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,0,1,0,0,0|1,0,2]=4 227 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,0,1,0,0,0|2,0,1]=4 228 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [0,0,1,0,0,0|1,0,2]=4 229 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,0,1,0,0,0|2,0,1]=4 230 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,0,1,0,0,0|2,0,1]=4 231 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,0,1,0,0,0|1,0,2]=4 232 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,0,1,0,0,0|1,0,2]=4 233 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,0,1,0,0,0|1,0,2]=4 234 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,0,1,0,0,0|1,0,2]=4 235 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,0,1,0,0,0|2,0,1]=4 236 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,0,1,0,0,0|2,0,1]=4 237 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,0,1,0,0,0|2,0,1]=4 238 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,0,1,0,0,0|2,0,1]=4 239 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,0,1,0,0,0|2,0,1]=4 240 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,0,1,0,0,0|2,0,1]=4 241 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,0,1,0,0,0|3,0,0]=4 242 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,0,1,0,0,0|2,0,1]=4 243 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,0,1,0,0,0|2,0,1]=4 244 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,0,1,0,0,0|3,0,0]=4 245 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,1,0,0,0|3,0,0]=4 246 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,1,0,0,0|3,0,0]=4 247 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,1,0,0,0|3,0,0]=4 248 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,1,0,0,0|3,0,0]=4 249 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,1,0,0,0|3,0,0]=4 250 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,1,0,0,0|3,0,0]=4 251 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,0,1,0,0,0|3,0,0]=4 252 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,0,1,0,0,0|3,0,0]=4 253 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,0,1,0,0,0|3,0,0]=4 254 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,0,1,0,0,0|3,0,0]=4 255 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [0,0,1,0,0,0|2,0,1]=4 256 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [0,0,1,0,0,0|2,0,1]=4 257 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [0,0,1,0,0,0|2,0,1]=4 258 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,0,1,0,0,0|3,0,0]=4 259 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,0,1,0,0,0|3,0,0]=4 260 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,0,1,0,0,0|3,0,0]=4 261 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,0,1,0,0,0|3,0,0]=4 262 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,0,1,0,0,0|3,0,0]=4 263 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,0,1,0,0,0|3,0,0]=4 264 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,0,1,0,0,0|3,0,0]=4 265 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,0,1,0,0,0|3,0,0]=4 266 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,1,0,0,0|3,0,0]=4 267 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,1,0,0,0|3,0,0]=4 268 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,0,1,0,0,0|3,0,0]=4 269 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,0,1,0,0,0|3,0,0]=4 270 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,1,0,0,0|3,0,0]=4 271 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,0,0,0,1,0|3,0,0]=4 272 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,0,0,0,1,0|3,0,0]=4 273 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,0,0,0,1,0|3,0,0]=4 274 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,0,0,0,1,0|3,0,0]=4 275 B14R2.19 Cc1nc(no1)Nc2ccccc2 27a_100000106764_100012003639 [0,0,0,0,0,1|2,0,1]=4 276 B14R2.19 Cc1nc(no1)Sc2ccccc2 270196a_100011225313_100000070787 [0,0,0,0,0,1|2,0,1]=4 277 B14R2.19 Cc1nc(no1)Sc2ccccc2 62a_100000719477_100012003639 [0,0,0,0,0,1|2,0,1]=4 278 B14R2.19 Cc1nc(no1)Sc2ccccc2 62a_100012003639_100000041952 [0,0,0,0,0,1|2,0,1]=4 279 B14R2.19 Cc1nc(no1)[Se]c2ccccc2 270196a_100015229233_100000070787 [0,0,0,0,0,1|2,0,1]=4 280 B14R2.19 Nc1csc(n1)Sc2ccccc2 62a_100000719477_200015188442 [0,0,0,0,0,1|2,0,1]=4 281 B14R2.19 Nc1csc(n1)Sc2ccccc2 62a_200015188442_100000041952 [0,0,0,0,0,1|2,0,1]=4 282 B14R2.19 Nc1nc(cs1)Sc2ccccc2 62a_100000719477_100011998049 [0,0,0,0,0,1|0,1,2]=4 283 B14R2.19 Nc1nc(cs1)Sc2ccccc2 62a_100011998049_100000041952 [0,0,0,0,0,1|0,1,2]=4 284 B14R2.19 Nc1nc(n[nH]1)Sc2ccccc2 62a_100000719477_100015184587 [0,0,0,0,0,1|2,0,1]=4 285 B14R2.19 Nc1nc(n[nH]1)Sc2ccccc2 62a_100015184587_100000041952 [0,0,0,0,0,1|2,0,1]=4 286 B14R2.19 O=C1OCC(O1)Nc2ccccc2 34a_100000106764_100000032252 [0,0,0,0,0,1|2,0,0]=3 287 B14R2.19 O=C1OCC(O1)Oc2ccccc2 34a_100000210340_100000032252 [0,0,0,0,0,1|2,0,0]=3 288 B14R2.19 O=C1OCC(O1)Oc2cccnc2 34a_100000210849_100000032252 [0,0,0,0,0,1|3,0,0]=4 289 B14R2.19 O=C1OCC(O1)Oc2ccncc2 34a_100000212176_100000032252 [0,0,0,0,0,1|3,0,0]=4 290 B14R2.19 O=C1OCC(O1)Sc2ccccc2 62a_100000719477_100000032252 [0,0,0,0,0,1|2,0,0]=3 291 B14R2.19 O=C1OCC(O1)Sc2ccccn2 62a_100011216584_100000032252 [0,0,0,0,0,1|3,0,0]=4 292 B14R2.19 O=C1OCC(O1)Sc2cccnc2 62a_100000210063_100000032252 [0,0,0,0,0,1|3,0,0]=4 293 B14R2.19 O=C1OCC(O1)Sc2ccncc2 62a_100000728582_100000032252 [0,0,0,0,0,1|3,0,0]=4 294 B14R2.19 Oc1nc(no1)Sc2ccccc2 270196a_100011225313_100015183105 [0,0,0,0,0,1|2,0,1]=4 295 B14R2.19 Oc1nc(no1)[Se]c2ccccc2 270196a_100015229233_100015183105 [0,0,0,0,0,1|2,0,1]=4 296 B14R2.21 Nc1cccc(n1)c2ccccc2 271570a_100011218836_100000740741 [0,0,0,0,0,1|1,0,2]=4 297 B14R2.21 Nc1ccnc(n1)c2ccccc2 271570a_100011218836_100000757536 [0,0,0,0,0,1|1,0,2]=4 298 B14R2.21 Nc1cncc(n1)c2ccccc2 271570a_100011218836_100009819714 [0,0,0,0,0,1|1,0,2]=4 299 B14R2.21 Nc1nccc(n1)c2ccccc2 271570a_100011218836_100009820717 [0,0,0,0,0,1|1,0,2]=4 300 B14R2.21 Nc1ncnc(n1)c2ccccc2 271570a_100011218836_100000123831 [0,0,0,0,0,1|1,0,2]=4 301 B14R2.68 Nc1ccc(cn1)c2ccccc2 271570a_100000062249_100000210277 [0,0,0,0,0,1|1,0,2]=4 302 B14R2.68 Nc1ccc(cn1)c2ccccc2 271570a_100011218836_100000187370 [0,0,0,0,0,1|1,0,2]=4 303 B14R2.68 Nc1ccc(nc1)c2ccccc2 271570a_100011218836_100000744251 [0,0,0,0,0,1|1,0,2]=4 304 B14R2.68 Nc1ccc(nn1)c2ccccc2 271570a_100011218836_100009816609 [0,0,0,0,0,1|1,0,2]=4 305 B14R2.68 Nc1cnc(cn1)c2ccccc2 271570a_100011218836_100000761932 [0,0,0,0,0,1|1,0,2]=4 306 B14R2.68 Nc1cnc(nc1)c2ccccc2 271570a_100011218836_100000068403 [0,0,0,0,0,1|2,0,1]=4 307 B14R2.68 Nc1ncc(cn1)c2ccccc2 271570a_100000068091_100000210277 [0,0,0,0,0,1|1,0,2]=4 308 B14R2.68 Nc1ncc(cn1)c2ccccc2 271570a_100011218836_100000760574 [0,0,0,0,0,1|1,0,2]=4 309 B14R2.68 Nc1ncc(nn1)c2ccccc2 271570a_100011218836_100000691435 [0,0,0,0,0,1|1,0,2]=4 310 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [1,0,1,0,0,0|0,0,2]=4 311 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [1,0,1,0,0,0|0,0,2]=4 312 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [1,0,1,0,0,0|0,0,2]=4 313 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [1,0,1,0,0,0|0,0,2]=4 314 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,0,1,0,0,0|1,0,1]=4 315 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,0,1,0,0,0|1,0,1]=4 316 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,0,1,0,0,0|1,0,1]=4 317 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,0,1,0,0,0|1,0,1]=4 318 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,0,1,0,0,0|1,0,1]=4 319 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,0,1,0,0,0|1,0,1]=4 320 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,0,1,0,0,0|0,0,2]=4 321 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,0,1,0,0,0|1,0,1]=4 322 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,0,1,0,0,0|0,0,2]=4 323 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [1,0,1,0,0,0|2,0,0]=4 324 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,0,1,0,0,0|1,0,1]=4 325 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,0,1,0,0,0|1,0,1]=4 326 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,0,1,0,0,0|1,0,1]=4 327 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,0,1,0,0,0|1,0,1]=4 328 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,0,1,0,0,0|1,0,1]=4 329 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,0,1,0,0,0|1,0,1]=4 330 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,0,1,0,0,0|0,0,2]=4 331 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,0,1,0,0,0|1,0,1]=4 332 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,0,1,0,0,0|1,0,1]=4 333 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,0,1,0,0,0|1,0,1]=4 334 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,0,1,0,0,0|1,0,1]=4 335 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [1,0,1,0,0,0|1,0,1]=4 336 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [1,0,1,0,0,0|1,0,1]=4 337 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,0,1,0,0,0|1,0,1]=4 338 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,0,1,0,0,0|1,0,1]=4 339 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,1,0,0,0|2,0,0]=4 340 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,1,0,0,0|2,0,0]=4 341 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,0,1,0,0,0|1,0,1]=4 342 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,0,1,0,0,0|1,0,1]=4 343 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,0,1,0,0,0|1,0,1]=4 344 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,0,1,0,0,0|1,0,1]=4 345 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,1,0,0,0|2,0,0]=4 346 B13R1.26 C=CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210623 [0,1,1,0,0,0|1,0,1]=4 347 B13R1.26 C=CCN[C@H](CO)c1ccccc1 34a_100000751927_100015514636 [0,1,1,0,0,0|1,0,1]=4 348 B13R1.26 O=CCN[C@H](CO)c1ccccc1 2230a_100000751927_200015260668 [0,1,1,0,0,0|1,0,1]=4 349 B13R1.26 O=CCN[C@H](CO)c1ccccc1 34a_100000751927_200009817547 [0,1,1,0,0,0|1,0,1]=4 350 B13R1.713 CC(=O)CC(CO)c1ccccc1 1458a_106726389045_200000210301 [0,1,1,0,0,0|2,0,0]=4 351 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100015343762 [0,1,1,0,0,0|1,0,1]=4 352 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100103153847 [0,1,1,0,0,0|1,0,1]=4 353 B13R1.713 [13CH3]C(=O)CC(CO)c1ccccc1 1458a_106726389045_200025704644 [0,1,1,0,0,0|2,0,0]=4 354 B13R1.14 COC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012357364 [0,1,1,0,0,0|2,0,0]=4 355 B13R1.15 COC(=O)CCc1cccc(c1)O 271570a_203496583355_100000151591 [0,1,1,0,0,0|2,0,0]=4 356 B13R1.42 COCC(=NNc1ccccc1)C 4a_100015195140_100000749346 [0,1,1,0,0,0|2,0,0]=4 357 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [0,1,1,0,0,0|2,0,0]=4 358 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [0,1,1,0,0,0|2,0,0]=4 359 B13R1.42 COCC(=O)NCc1ccccc1 11a_100015324214_100000210968 [0,1,1,0,0,0|1,0,1]=4 360 B13R1.42 COCC(=O)NCc1ccccc1 1626a_100015324214_100000210968 [0,1,1,0,0,0|1,0,1]=4 361 B13R1.42 COCC(=O)NCc1ccccc1 240690a_100015324214_100000210968 [0,1,1,0,0,0|1,0,1]=4 362 B13R1.42 COCC(=O)NCc1ccccc1 34a_100138415774_100000183539 [0,1,1,0,0,0|1,0,1]=4 363 B13R1.42 COCC(=O)NCc1ccccc1 527a_100015324214_100000210968 [0,1,1,0,0,0|1,0,1]=4 364 B13R1.42 COCC(=O)OCc1ccccc1 34a_100138415774_100000753625 [0,1,1,0,0,0|2,0,0]=4 365 B13R1.528 COC(=O)CCc1ccccc1O 271570a_203496583355_100009815308 [0,1,1,0,0,0|2,0,0]=4 366 B13R1.24 C=CCOCC(C)c1ccccc1 34a_100011215166_100015514636 [0,1,1,0,0,0|2,0,0]=4 367 B13R1.24 C=CCOCC(C)c1ccccc1 34a_200000210373_100000756946 [0,1,1,0,0,0|2,0,0]=4 368 B13R1.24 C=CCOCC(C)c1ccccc1 7a_100011215166_100015514636 [0,1,1,0,0,0|2,0,0]=4 369 B13R1.24 C=CCOCC(O)c1ccccc1 34a_200000210373_100000185958 [0,1,1,0,0,0|2,0,0]=4 370 B13R1.24 C=CCOC[C@@H](N)c1ccccc1 34a_100000751927_100015514636 [0,1,1,0,0,0|1,0,1]=4 371 B13R1.24 C=CCOC[C@@H](O)c1ccccc1 34a_200000210373_100011933945 [0,1,1,0,0,0|2,0,0]=4 372 B13R1.24 CC(COCC=O)c1ccccc1 34a_100011215166_200009817547 [0,1,1,0,0,0|2,0,0]=4 373 B13R1.24 CC(COCC=O)c1ccccc1 7a_100011215166_200015260668 [0,1,1,0,0,0|2,0,0]=4 374 B13R1.24 CC(COCCN)c1ccccc1 34a_100000210304_100000756946 [0,1,1,0,0,0|1,0,1]=4 375 B13R1.24 NCCOCC(O)c1ccccc1 34a_100000210304_100000185958 [0,1,1,0,0,0|1,0,1]=4 376 B13R1.24 NCCOC[C@@H](O)c1ccccc1 34a_100000210304_100011933945 [0,1,1,0,0,0|1,0,1]=4 377 B13R1.24 N[C@H](COCC=O)c1ccccc1 34a_100000751927_200009817547 [0,1,1,0,0,0|1,0,1]=4 378 B13R1.513 CC(=O)OCCc1ccc(cc1)O 271570a_203496583355_200016374084 [0,1,1,0,0,0|2,0,0]=4 379 B13R1.718 CC(CN)OCCc1ccccc1 34a_100000210904_100000765856 [0,1,1,0,0,0|1,0,1]=4 380 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,1,1,0,0,0|2,0,0]=4 381 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,1,1,0,0,0|2,0,0]=4 382 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,1,1,0,0,0|2,0,0]=4 383 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,1,1,0,0,0|2,0,0]=4 384 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [0,1,1,0,0,0|2,0,0]=4 385 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [0,1,1,0,0,0|2,0,0]=4 386 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [0,1,1,0,0,0|2,0,0]=4 387 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [0,1,1,0,0,0|2,0,0]=4 388 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [0,1,1,0,0,0|2,0,0]=4 389 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [0,1,1,0,0,0|2,0,0]=4 390 B13R2.12 Oc1ccc(cc1)c2ncon2 271570a_203496583355_100000756724 [1,1,0,0,0,0|1,0,1]=4 391 B13R2.13 Oc1cccc(c1)c2ncon2 271570a_203496583355_200000756725 [1,1,0,0,0,0|1,0,1]=4 392 B13R2.18 Oc1ccccc1c2cocn2 271570a_203496583355_100010198669 [1,1,0,0,0,0|0,0,2]=4 393 B13R2.52 CNC1CC(C1)c2ccccc2 270004a_106832991635_100000741317 [0,1,0,0,1,0|1,0,1]=4 394 B13R2.52 CN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200000210301 [0,1,0,0,1,0|1,0,1]=4 395 B13R2.52 [13CH3]N[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200025704644 [0,1,0,0,1,0|1,0,1]=4 396 B13R2.147 O=C1CC(C1)c2ccc(cc2)O 271570a_203496583355_100000741321 [0,1,0,0,1,0|2,0,0]=4 397 B15R2.98 Cc1ccc(cc1)NC2COC(=O)O2 34a_100000124888_100000032252 [0,1,0,0,0,1|2,0,0]=4 398 B15R2.98 Cc1ccc(cc1)OC2COC(=O)O2 34a_100000210336_100000032252 [0,1,0,0,0,1|2,0,0]=4 399 B15R2.98 Cc1ccc(cc1)SC2COC(=O)O2 62a_100000186775_100000032252 [0,1,0,0,0,1|2,0,0]=4 400 B15R2.98 Nc1ccc(cc1)OC2COC(=O)O2 34a_100000185829_100000032252 [0,1,0,0,0,1|2,0,0]=4 401 B15R2.98 Nc1ccc(cc1)SC2COC(=O)O2 62a_100000185761_100000032252 [0,1,0,0,0,1|2,0,0]=4 402 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)Br 34a_100000210018_100000032252 [0,1,0,0,0,1|2,0,0]=4 403 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)Cl 34a_100000210052_100000032252 [0,1,0,0,0,1|2,0,0]=4 404 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)F 34a_100000185862_100000032252 [0,1,0,0,0,1|2,0,0]=4 405 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)I 34a_100000185761_100000032252 [0,1,0,0,0,1|2,0,0]=4 406 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)O 34a_100000185829_100000032252 [0,1,0,0,0,1|2,0,0]=4 407 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)Br 34a_100000185759_100000032252 [0,1,0,0,0,1|2,0,0]=4 408 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)Cl 34a_100000210216_100000032252 [0,1,0,0,0,1|2,0,0]=4 409 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)F 34a_100000210339_100000032252 [0,1,0,0,0,1|2,0,0]=4 410 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)I 34a_100000212066_100000032252 [0,1,0,0,0,1|2,0,0]=4 411 B15R2.98 O=C1OCC(O1)Sc2ccc(cc2)Br 62a_100000752885_100000032252 [0,1,0,0,0,1|2,0,0]=4 412 B15R2.98 O=C1OCC(O1)Sc2ccc(cc2)Cl 62a_100000755918_100000032252 [0,1,0,0,0,1|2,0,0]=4 413 B15R2.98 O=C1OCC(O1)Sc2ccc(cc2)F 62a_100000211213_100000032252 [0,1,0,0,0,1|2,0,0]=4 414 B15R2.297 CN(c1ccccc1)C2COC(=O)O2 34a_100000210012_100000032252 [0,1,0,0,0,1|2,0,0]=4 415 B15R2.305 Cc1ccccc1NC2COC(=O)O2 34a_100015192222_100000032252 [0,1,0,0,0,1|2,0,0]=4 416 B15R2.305 Cc1ccccc1OC2COC(=O)O2 34a_100000210338_100000032252 [0,1,0,0,0,1|2,0,0]=4 417 B15R2.305 Cc1ccccc1SC2COC(=O)O2 62a_100000210755_100000032252 [0,1,0,0,0,1|2,0,0]=4 418 B15R2.305 Nc1ccccc1OC2COC(=O)O2 34a_100000185747_100000032252 [0,1,0,0,0,1|2,0,0]=4 419 B15R2.305 Nc1ccccc1SC2COC(=O)O2 62a_100000210017_100000032252 [0,1,0,0,0,1|2,0,0]=4 420 B15R2.305 O=C1OCC(O1)Nc2ccccc2Br 34a_100000210017_100000032252 [0,1,0,0,0,1|2,0,0]=4 421 B15R2.305 O=C1OCC(O1)Nc2ccccc2Cl 34a_100000185783_100000032252 [0,1,0,0,0,1|2,0,0]=4 422 B15R2.305 O=C1OCC(O1)Nc2ccccc2F 34a_100000210422_100000032252 [0,1,0,0,0,1|2,0,0]=4 423 B15R2.305 O=C1OCC(O1)Nc2ccccc2I 34a_100000210053_100000032252 [0,1,0,0,0,1|2,0,0]=4 424 B15R2.305 O=C1OCC(O1)Nc2ccccc2O 34a_100000185747_100000032252 [0,1,0,0,0,1|2,0,0]=4 425 B15R2.305 O=C1OCC(O1)Oc2ccccc2Br 34a_100000181306_100000032252 [0,1,0,0,0,1|2,0,0]=4 426 B15R2.305 O=C1OCC(O1)Oc2ccccc2Cl 34a_100000210172_100000032252 [0,1,0,0,0,1|2,0,0]=4 427 B15R2.305 O=C1OCC(O1)Oc2ccccc2F 34a_100000210171_100000032252 [0,1,0,0,0,1|2,0,0]=4 428 B15R2.305 O=C1OCC(O1)Oc2ccccc2I 34a_100000739446_100000032252 [0,1,0,0,0,1|2,0,0]=4 429 B15R2.305 O=C1OCC(O1)Sc2ccccc2Br 62a_100000695589_100000032252 [0,1,0,0,0,1|2,0,0]=4 430 B15R2.305 O=C1OCC(O1)Sc2ccccc2Cl 62a_100000764095_100000032252 [0,1,0,0,0,1|2,0,0]=4 431 B15R2.305 O=C1OCC(O1)Sc2ccccc2F 62a_100011215700_100000032252 [0,1,0,0,0,1|2,0,0]=4 432 B15R2.305 O=C1OCC(O1)Sc2ccccc2O 62a_100000739446_100000032252 [0,1,0,0,0,1|2,0,0]=4 433 B15R2.1115 Cc1cccc(c1)NC2COC(=O)O2 34a_100000188690_100000032252 [0,1,0,0,0,1|2,0,0]=4 434 B15R2.1115 Cc1cccc(c1)OC2COC(=O)O2 34a_100000210337_100000032252 [0,1,0,0,0,1|2,0,0]=4 435 B15R2.1115 Cc1cccc(c1)SC2COC(=O)O2 62a_100011215228_100000032252 [0,1,0,0,0,1|2,0,0]=4 436 B15R2.1115 Nc1cccc(c1)OC2COC(=O)O2 34a_100000210217_100000032252 [0,1,0,0,0,1|2,0,0]=4 437 B15R2.1115 Nc1cccc(c1)SC2COC(=O)O2 62a_100000210019_100000032252 [0,1,0,0,0,1|2,0,0]=4 438 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)Br 34a_100000210019_100000032252 [0,1,0,0,0,1|2,0,0]=4 439 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)Cl 34a_100000185859_100000032252 [0,1,0,0,0,1|2,0,0]=4 440 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)F 34a_100000210047_100000032252 [0,1,0,0,0,1|2,0,0]=4 441 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)I 34a_100000211102_100000032252 [0,1,0,0,0,1|2,0,0]=4 442 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)O 34a_100000210217_100000032252 [0,1,0,0,0,1|2,0,0]=4 443 B15R2.1115 O=C1OCC(O1)Oc2cccc(c2)Br 34a_100000210342_100000032252 [0,1,0,0,0,1|2,0,0]=4 444 B15R2.1115 O=C1OCC(O1)Oc2cccc(c2)Cl 34a_100000210295_100000032252 [0,1,0,0,0,1|2,0,0]=4 445 B15R2.1115 O=C1OCC(O1)Oc2cccc(c2)F 34a_100000210426_100000032252 [0,1,0,0,0,1|2,0,0]=4 446 B15R2.1115 O=C1OCC(O1)Oc2cccc(c2)I 34a_100000211634_100000032252 [0,1,0,0,0,1|2,0,0]=4 447 B15R2.1115 O=C1OCC(O1)Sc2cccc(c2)Br 62a_100000691529_100000032252 [0,1,0,0,0,1|2,0,0]=4 448 B15R2.1115 O=C1OCC(O1)Sc2cccc(c2)Cl 62a_100000699651_100000032252 [0,1,0,0,0,1|2,0,0]=4 449 B15R2.1115 O=C1OCC(O1)Sc2cccc(c2)F 62a_100000685547_100000032252 [0,1,0,0,0,1|2,0,0]=4 450 B15R2.1115 O=C1OCC(O1)Sc2cccc(c2)[S] 62a_114929384022_100000032252 [0,1,0,0,0,1|2,0,0]=4 451 B15R2.389 CN1CC(=O)OC[C@@H]1c2ccccc2 2230a_100000005368_200000210301 [0,1,0,0,0,1|1,0,1]=4 452 B15R2.389 CN1CC(=O)OC[C@@H]1c2ccccc2 269982a_100000005368_200000210301 [0,1,0,0,0,1|1,0,1]=4 453 B15R2.389 [13CH3]N1CC(=O)OC[C@@H]1c2ccccc2 2230a_100000005368_200025704644 [0,1,0,0,0,1|1,0,1]=4 454 B15R2.389 [13CH3]N1CC(=O)OC[C@@H]1c2ccccc2 269982a_100000005368_200025704644 [0,1,0,0,0,1|1,0,1]=4 455 B15R2.59 NC(=O)c1nc(no1)c2ccccc2 270196a_100000210280_100011215815 [0,2,0,0,0,0|1,0,1]=4 456 B15R2.66 CNCc1nc(no1)c2ccccc2 2230a_100000702659_200000210301 [0,2,0,0,0,0|1,0,1]=4 457 B15R2.66 CNCc1nc(no1)c2ccccc2 2230a_106832991635_100000181299 [0,2,0,0,0,0|1,0,1]=4 458 B15R2.66 CNCc1nc(no1)c2ccccc2 34a_100102657272_100000181299 [0,2,0,0,0,0|1,0,1]=4 459 B15R2.66 CNCc1nc(no1)c2ccccc2 7a_106832991635_100000181299 [0,2,0,0,0,0|1,0,1]=4 460 B15R2.66 [13CH3]NCc1nc(no1)c2ccccc2 2230a_100000702659_200025704644 [0,2,0,0,0,0|1,0,1]=4 461 B11R0.147 C=CC=CC(=O)CCOC(=O)N 1458a_100016291481_200011214921 [0,0,2,0,0,0|2,0,0]=4 462 B13R2.328 Cc1nc(nc2c1cccc2)O 271570a_203496583355_100000046098 [0,0,1,1,0,0|0,0,2]=4 463 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,0,1,0,1,0|1,0,1]=4 464 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,0,1,0,1,0|1,0,1]=4 465 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,1,0,1,0|2,0,0]=4 466 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,0,1,0,1,0|1,0,1]=4 467 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,0,1,0,1,0|1,0,1]=4 468 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,0,1,0,1,0|1,0,1]=4 469 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,0,1,0,1,0|1,0,1]=4 470 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,0,1,0,1,0|1,0,1]=4 471 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,0,1,0,1,0|1,0,1]=4 472 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210245_100000765856 [0,0,1,0,0,1|2,0,0]=4 473 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210268_100000748629 [0,0,1,0,0,1|2,0,0]=4 474 B13R1.337 C=C(C)COCCc1ccccc1 7a_100000210268_100000748629 [0,0,1,0,0,1|2,0,0]=4 475 B13R1.337 C=C(F)COCCc1ccccc1 34a_100000210268_100009893438 [0,0,1,0,0,1|2,0,0]=4 476 B13R1.337 C=C(F)COCCc1ccccc1 34a_200010262243_100000765856 [0,0,1,0,0,1|2,0,0]=4 477 B13R1.337 C=C(F)COCCc1ccccc1 7a_100000210268_100000042424 [0,0,1,0,0,1|2,0,0]=4 478 B13R1.337 CC(=O)COCCc1ccccc1 34a_100000211253_100000765856 [0,0,1,0,0,1|2,0,0]=4 479 B13R1.337 CC(=O)OCCNc1ccccc1 34a_100000106764_100009814007 [0,0,1,0,0,1|2,0,0]=4 480 B13R1.337 CC(=O)OCCOc1ccccc1 34a_100000210340_100009814007 [0,0,1,0,0,1|2,0,0]=4 481 B13R1.337 CC(=O)OCCOc1ccccc1 7a_100000210340_100009814007 [0,0,1,0,0,1|2,0,0]=4 482 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100000719477_100009814007 [0,0,1,0,0,1|2,0,0]=4 483 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100009814007_100000041952 [0,0,1,0,0,1|2,0,0]=4 484 B13R1.337 CC(=O)OCNCc1ccccc1 34a_100015324214_100009813279 [0,0,1,0,0,1|2,0,0]=4 485 B13R1.337 CC(=O)OCOCc1ccccc1 34a_100000210790_100009813279 [0,0,1,0,0,1|2,0,0]=4 486 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000076356_100015291786 [0,0,1,0,0,1|2,0,0]=4 487 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000211182_100000076356 [0,0,1,0,0,1|2,0,0]=4 488 B13R1.337 C[C@@H](N)COCCc1ccccc1 34a_100000737577_100000765856 [0,0,1,0,0,1|1,0,1]=4 489 B13R1.337 NC(=O)CCCNc1ccccc1 34a_100000106764_100102525003 [0,0,1,0,0,1|2,0,0]=4 490 B13R1.337 NC(=O)CCCOc1ccccc1 34a_100000210340_100102525003 [0,0,1,0,0,1|2,0,0]=4 491 B13R1.337 NC(=O)CCCOc1ccccc1 7a_100000210340_100102525003 [0,0,1,0,0,1|2,0,0]=4 492 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100000719477_100102525003 [0,0,1,0,0,1|2,0,0]=4 493 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100102525003_100000041952 [0,0,1,0,0,1|2,0,0]=4 494 B13R1.337 NC(=O)CCNCc1ccccc1 207a_100000740010_100015611070 [0,0,1,0,0,1|2,0,0]=4 495 B13R1.337 NC(=O)CCNCc1ccccc1 2230a_100015324214_100000744528 [0,0,1,0,0,1|2,0,0]=4 496 B13R1.337 NC(=O)CCNCc1ccccc1 34a_100015324214_100000731001 [0,0,1,0,0,1|2,0,0]=4 497 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000210790_100000731001 [0,0,1,0,0,1|2,0,0]=4 498 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000757172_100015291786 [0,0,1,0,0,1|2,0,0]=4 499 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000210790_100000744528 [0,0,1,0,0,1|2,0,0]=4 500 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000757172_100000211182 [0,0,1,0,0,1|2,0,0]=4 501 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000211182_100000744528 [0,0,1,0,0,1|2,0,0]=4 502 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000744528_100015291786 [0,0,1,0,0,1|2,0,0]=4 503 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000106460_100000747473 [0,0,1,0,0,1|2,0,0]=4 504 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000711301_100000765856 [0,0,1,0,0,1|2,0,0]=4 505 B13R1.337 NC(=O)CNCCc1ccccc1 34a_100000106460_100000187820 [0,0,1,0,0,1|2,0,0]=4 506 B13R1.337 NC(=O)COCCc1ccccc1 34a_100000210268_100000187820 [0,0,1,0,0,1|1,0,0]=3 507 B13R1.337 NC(=O)COCCc1ccccc1 7a_100000210268_100000187820 [0,0,1,0,0,1|1,0,0]=3 508 B13R1.337 NC(=O)COCCc1ccccn1 34a_100000210271_100000187820 [0,0,1,0,0,1|2,0,0]=4 509 B13R1.337 NC(=O)COCCc1cccnc1 34a_100011217484_100000187820 [0,0,1,0,0,1|2,0,0]=4 510 B13R1.337 NC(=O)COCCc1ccncc1 34a_100011216225_100000187820 [0,0,1,0,0,1|2,0,0]=4 511 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000747473_100011218657 [0,0,1,0,0,1|1,1,0]=4 512 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000765856_100000747473 [0,0,1,0,0,1|1,1,0]=4 513 B13R1.337 NC(=O)NCCOc1ccccc1 7a_100000210340_200000034859 [0,0,1,0,0,1|2,0,0]=4 514 B13R1.337 NC(=O)NCCSc1ccccc1 62a_100000719477_200000034859 [0,0,1,0,0,1|2,0,0]=4 515 B13R1.337 NC(=O)NCCSc1ccccc1 62a_200000034859_100000041952 [0,0,1,0,0,1|2,0,0]=4 516 B13R1.337 NC(=O)OCCNc1ccccc1 34a_100000106764_200011214921 [0,0,1,0,0,1|1,0,0]=3 517 B13R1.337 NC(=O)OCCOc1ccccc1 34a_100000210340_200011214921 [0,0,1,0,0,1|1,0,0]=3 518 B13R1.337 NC(=O)OCCOc1ccccc1 7a_100000210340_200011214921 [0,0,1,0,0,1|1,0,0]=3 519 B13R1.337 NC(=O)OCCOc1cccnc1 34a_100000210849_200011214921 [0,0,1,0,0,1|2,0,0]=4 520 B13R1.337 NC(=O)OCCOc1cccnc1 7a_100000210849_200011214921 [0,0,1,0,0,1|2,0,0]=4 521 B13R1.337 NC(=O)OCCOc1ccncc1 34a_100000212176_200011214921 [0,0,1,0,0,1|2,0,0]=4 522 B13R1.337 NC(=O)OCCSc1ccccc1 62a_100000719477_200011214921 [0,0,1,0,0,1|1,0,0]=3 523 B13R1.337 NC(=O)OCCSc1ccccc1 62a_200011214921_100000041952 [0,0,1,0,0,1|1,0,0]=3 524 B13R1.337 NC(=O)OCCSc1ccccn1 62a_100011216584_200011214921 [0,0,1,0,0,1|2,0,0]=4 525 B13R1.337 NC(=O)OCCSc1ccccn1 62a_200011214921_100011216584 [0,0,1,0,0,1|2,0,0]=4 526 B13R1.337 NC(=O)OCCSc1cccnc1 62a_100000210063_200011214921 [0,0,1,0,0,1|2,0,0]=4 527 B13R1.337 NC(=O)OCCSc1cccnc1 62a_200011214921_100000210063 [0,0,1,0,0,1|2,0,0]=4 528 B13R1.337 NC(=O)OCCSc1ccncc1 62a_100000728582_200011214921 [0,0,1,0,0,1|2,0,0]=4 529 B13R1.337 NC(=O)OCCSc1ccncc1 62a_200011214921_100000728582 [0,0,1,0,0,1|2,0,0]=4 530 B13R1.337 O=C([O-])COCCc1ccccc1 34a_100000210268_100020667443 [0,0,1,0,0,1|2,0,0]=4 531 B13R2.64 c1ccc(cc1)NC2CCOC2 34a_100000106764_100000690089 [1,0,0,0,0,1|1,0,1]=4 532 B13R2.64 c1ccc(cc1)OC2CCOC2 34a_100000210340_100000690089 [1,0,0,0,0,1|1,0,1]=4 533 B13R2.64 c1ccc(cc1)OC2CCOC2 7a_100000210340_100000731011 [1,0,0,0,0,1|1,0,1]=4 534 B13R2.64 c1ccc(cc1)SC2CCOC2 62a_100000719477_100000690089 [1,0,0,0,0,1|1,0,1]=4 535 B15R2.283 O=C1N[C@H](CO1)CNc2ccccc2 34a_100000106764_100015307671 [0,0,0,0,0,2|1,0,1]=4 536 B15R2.283 O=C1N[C@H](CO1)COc2ccccc2 34a_100000210340_100015307671 [0,0,0,0,0,2|1,0,1]=4 537 B15R2.283 O=C1N[C@H](CO1)COc2ccccc2 7a_100000210340_100015307671 [0,0,0,0,0,2|1,0,1]=4 538 B15R2.283 O=C1N[C@H](CO1)CSc2ccccc2 62a_100000719477_100015307671 [0,0,0,0,0,2|1,0,1]=4 539 B15R2.283 O=C1N[C@H](CO1)CSc2ccccc2 62a_100015307671_100000041952 [0,0,0,0,0,2|1,0,1]=4 540 B15R2.283 O=C1OCC(O1)CNc2ccccc2 34a_100000106764_100000073702 [0,0,0,0,0,2|2,0,0]=4 541 B15R2.283 O=C1OCC(O1)COc2ccccc2 34a_100000210340_100000073702 [0,0,0,0,0,2|2,0,0]=4 542 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000073702_100000041952 [0,0,0,0,0,2|2,0,0]=4 543 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000719477_100000073702 [0,0,0,0,0,2|2,0,0]=4 544 B15R2.283 O=C1OCC(O1)NCc2ccccc2 34a_100015324214_100000032252 [0,0,0,0,0,2|2,0,0]=4 545 B15R2.283 O=C1OCC(O1)OCc2ccccc2 34a_100000210790_100000032252 [0,0,0,0,0,2|2,0,0]=4 546 B15R2.283 O=C1OCC(O1)SCc2ccccc2 62a_100000211182_100000032252 [0,0,0,0,0,2|2,0,0]=4