0 B9R1.41 C=C(C)c1c[nH]nc1C 271570a_100000694244_100011912673 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.41 C=C(C)c1ccnn1C 271570a_100000694244_100000688441 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.41 C=C(C)c1cncn1C 271570a_100000694244_100009814087 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.41 C=C(C)c1cnoc1C 271570a_100000694244_100009872056 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.41 C=C(C)c1cscc1Br 271570a_100000694244_100010143727 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.41 C=C(C)c1cscc1C 271570a_100000694244_100000759966 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.41 C=C(C)c1n[nH]cc1C 271570a_100000694244_100009871783 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.41 C=C(C)c1nc[nH]c1C 271570a_100000694244_100009816806 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.41 C=C(C)c1nccn1C 271570a_100000694244_100000707724 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.41 C=C(C)c1ncnn1C 271570a_100000694244_100000732653 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.41 C=C(C)c1ncsc1C 271570a_100000694244_100000732656 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.41 C=C(C)c1scnc1C 271570a_100000694244_100009817116 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,0,0,0,0,0|0,0,4]=4 16 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.41 CN(C)c1ncnn1C 27a_100102631434_100000732653 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,0,0,0,0,0|1,0,2]=3 20 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,0,0,0,0,0|0,0,4]=4 21 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,0,0,0,0,0|1,0,2]=3 23 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,0,0,0|1,0,2]=4 37 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,0,0,0|1,0,2]=4 40 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,0,0,0|1,0,2]=4 43 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,0,0,0|1,0,2]=4 46 B8R1.11 C=Cc1ccnn1C 271570a_100011290941_100000688441 [1,0,0,0,0,0|1,0,1]=3 47 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.11 C=Cc1cncn1C 271570a_100011290941_100009814087 [1,0,0,0,0,0|1,0,1]=3 49 B8R1.11 C=Cc1cscc1C 271570a_100011290941_100000759966 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.11 C=Cc1nccn1C 271570a_100011290941_100000707724 [1,0,0,0,0,0|1,0,1]=3 51 B8R1.11 C=Cc1ncnn1C 271570a_100011290941_100000732653 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.11 CCC1C=CCN1C 2230a_100000730860_200000210301 [1,0,0,0,0,0|0,0,3]=4 54 B8R1.11 CCC1C=CCN1C 269982a_100000730860_200000210301 [1,0,0,0,0,0|0,0,3]=4 55 B8R1.11 CCC1C=CCN1C 34a_100000730860_200000210301 [1,0,0,0,0,0|0,0,3]=4 56 B8R1.11 CCC1C=CCN1[13CH3] 2230a_100000730860_200025704644 [1,0,0,0,0,0|0,0,3]=4 57 B8R1.11 CCC1C=CCN1[13CH3] 269982a_100000730860_200025704644 [1,0,0,0,0,0|0,0,3]=4 58 B8R1.11 CCC1C=CCN1[13CH3] 34a_100000730860_200025704644 [1,0,0,0,0,0|0,0,3]=4 59 B8R1.11 CNc1ncnn1C 27a_100102657272_100000732653 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.11 CSc1cncn1C 62a_100009814087_200000210301 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.11 CSc1cncn1C 62a_200000210301_100009814087 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.11 CSc1ncnn1C 62a_100000732653_200000210301 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.11 CSc1ncnn1C 62a_200000210301_100000732653 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.11 Cn1cncc1S[13CH3] 62a_100009814087_200025704644 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.11 Cn1cncc1S[13CH3] 62a_200025704644_100009814087 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.11 Cn1ncnc1S[13CH3] 62a_100000732653_200025704644 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.11 Cn1ncnc1S[13CH3] 62a_200025704644_100000732653 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.11 O=Cc1cscc1O 271570a_203496583355_100000685484 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.39 C=C(C)c1ccnn1CC 271570a_100000694244_100000728327 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.39 C=C(C)c1ccsc1CO 271570a_100000694244_100000702026 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.39 C=C(C)c1ccsc1SC 271570a_100000694244_200010341309 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.39 C=C(C)c1cscc1CC 271570a_100000694244_100011068457 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.39 C=C(C)c1cscc1CO 271570a_100000694244_100000724555 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.39 C=C(C)c1nccn1CC 271570a_100000694244_100011617267 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.39 C=C(C)c1ncnn1CC 271570a_100000694244_100009879425 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.39 C=C(C)c1sccc1CC 271570a_100000694244_200009875468 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.39 C=C(C)c1sccc1CN 271570a_100000694244_100000727803 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.39 C=C(C)c1sccc1CO 271570a_100000694244_100009816922 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.39 C=Cc1ccsc1C(=O)C 271570a_100011290941_100000738688 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200010339033_200025704644 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200025704644_200010339033 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.39 CCC1C=CCN1C(=O)C 11a_100000730860_100015343762 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.39 CCC1C=CCN1C(=O)C 1626a_100000730860_100015343762 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.39 CCC1C=CCN1C(=O)C 240690a_100000730860_100015343762 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.39 CCC1C=CCN1C(=O)C 527a_100000730860_100103153847 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [0,1,0,0,0,0|1,0,2]=4 113 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.39 CSc1cscc1C(=O)N 62a_100009817205_200000210301 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.39 CSc1cscc1C(=O)N 62a_200000210301_100009817205 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.39 CSc1ncsc1C(=O)C 62a_200000210301_200010339033 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.39 CSc1ncsc1C(=O)C 62a_200010339033_200000210301 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.39 O=C(O)[C@@H]1C=CCN1CF 269956a_100000057196_100015361967 [0,1,0,0,0,0|1,0,2]=4 119 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_100009817205_200025704644 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_200025704644_100009817205 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.59 C=C(C)c1cc(nn1C)C 271570a_100000694244_100009818511 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.59 C=C(C)c1cc(nn1C)N 271570a_100000694244_100116209741 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.59 C=C(C)c1cc(sc1C)C 271570a_100000694244_100000688054 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.59 C=C(C)c1nc(cn1C)C 271570a_100000694244_100009816808 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.59 C=C(C)c1sc(cc1C)C 271570a_100000694244_100000689295 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.59 CC(=O)c1sc(nc1C)O 271570a_203496583355_100010106820 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.149 CNC(C)c1cccn1C 269862a_106832991636_100000709046 [0,1,0,0,0,0|1,0,1]=3 128 B10R1.149 CNC(C)c1ccnn1C 269862a_106832991636_100000684975 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.149 CNC(C)c1cncn1C 269862a_106832991636_100000719141 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.149 CNC(C)c1nccn1C 269862a_106832991636_100000756116 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.149 COC(=O)c1cscc1O 271570a_203496583355_100012351140 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.192 C=C(C)c1c(nnn1C)C 271570a_100000694244_100016037793 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.192 CC(=O)c1c(cnn1C)O 271570a_203496583355_100012349272 [0,1,0,0,0,0|1,0,0]=2 139 B10R1.192 Cn1ncc(c1C(=O)N)O 271570a_203496583355_100010776205 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.194 C=C(C)c1cnc(n1C)C 271570a_100000694244_100000762843 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.194 C=C(C)c1csc(c1C)C 271570a_100000694244_100009820295 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.194 C=C(C)c1ncc(n1C)C 271570a_100000694244_100009816807 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [0,1,0,0,0,0|0,0,3]=4 144 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [0,1,0,0,0,0|0,0,3]=4 146 B8R0.5 C=CCN(C)CC(=C)C 2230a_100000225617_100000748629 [0,0,1,0,0,0|1,0,2]=4 147 B8R0.5 C=CCN(C)CC(=C)C 2230a_100000225649_100000210623 [0,0,1,0,0,0|1,0,2]=4 148 B8R0.5 C=CCN(C)CC(=C)C 269982a_100000225617_100000748629 [0,0,1,0,0,0|1,0,2]=4 149 B8R0.5 C=CCN(C)CC(=C)C 269982a_100000225649_100000210623 [0,0,1,0,0,0|1,0,2]=4 150 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000225617_100000747473 [0,0,1,0,0,0|1,0,2]=4 151 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000739694_100000210623 [0,0,1,0,0,0|1,0,2]=4 152 B8R0.5 C=CCN(C)CC(=O)N 269982a_100000225617_100000187820 [0,0,1,0,0,0|1,0,2]=4 153 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,0,1,0,0,0|1,0,2]=4 154 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,0,1,0,0,0|1,0,2]=4 155 B8R0.5 C=CCN(C)CC(=O)[O-] 269982a_100000225617_100020667443 [0,0,1,0,0,0|1,0,2]=4 156 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,0,1,0,0,0|1,0,2]=4 157 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,0,1,0,0,0|1,0,2]=4 158 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,0,1,0,0,0|1,0,2]=4 159 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,0,1,0,0,0|1,0,2]=4 160 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,0,1,0,0,0|1,0,2]=4 161 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,0,1,0,0,0|1,0,2]=4 162 B10R2.21 Cn1ccnc1C2CC2 271570a_100011220607_100000707724 [0,0,0,1,0,0|2,0,1]=4 163 B10R2.21 Cn1cncc1C2CC2 271570a_100011220607_100009814087 [0,0,0,1,0,0|2,0,1]=4 164 B10R2.21 Cn1nccc1C2CC2 271570a_100011220607_100000688441 [0,0,0,1,0,0|2,0,1]=4 165 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [0,0,0,0,0,1|3,0,0]=4 167 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [0,0,0,0,0,1|3,0,0]=4 168 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [0,0,0,0,0,1|1,0,1]=3 169 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [0,0,0,0,0,1|2,0,1]=4 170 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [0,0,0,0,0,1|3,0,0]=4 171 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,0,0,0,0,1|2,0,0]=3 172 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [0,0,0,0,0,1|3,0,0]=4 174 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,0,0,0,0,1|2,0,0]=3 178 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [0,0,0,0,0,1|3,0,0]=4 179 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [0,0,0,0,0,1|3,0,0]=4 180 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [0,0,0,0,0,1|3,0,0]=4 181 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [0,0,0,0,0,1|2,0,0]=3 183 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [0,0,0,0,0,1|3,0,0]=4 186 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [0,0,0,0,0,1|3,0,0]=4 187 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [0,0,0,0,0,1|3,0,0]=4 188 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [0,0,0,0,0,1|2,0,0]=3 189 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [0,0,0,0,0,1|3,0,0]=4 190 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [0,0,0,0,0,1|3,0,0]=4 191 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [0,0,0,0,0,1|3,0,0]=4 192 B10R1.61 C=C(C)c1cncnc1C 271570a_100000694244_100009819671 [0,0,0,0,0,1|3,0,0]=4 193 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [0,0,0,0,0,1|3,0,0]=4 194 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,0,0,0,0,1|2,0,0]=3 195 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [0,0,0,0,0,1|3,0,0]=4 196 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [0,0,0,0,0,1|3,0,0]=4 197 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [0,0,0,0,0,1|3,0,0]=4 198 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,0,0,0,0,1|3,0,0]=4 199 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [0,0,0,0,0,1|3,0,0]=4 200 B10R1.61 C=C(C)c1ncncc1C 271570a_100000694244_100011998708 [0,0,0,0,0,1|3,0,0]=4 201 B10R1.61 C=C(C)c1nnccc1C 271570a_100000694244_100000089043 [0,0,0,0,0,1|3,0,0]=4 202 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,0,0,0,0,1|2,0,0]=3 203 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,0,0,0,0,1|1,0,0]=2 204 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,0,0,0,0,1|2,0,0]=3 205 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,0,0,0,0,1|2,0,0]=3 206 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,0,0,0,0,1|2,0,0]=3 207 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,0,0,0,0,1|2,0,0]=3 208 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,0,0,0,0,1|2,0,0]=3 209 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,0,0,0,0,1|2,0,0]=3 210 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,0,0,0,0,1|2,0,0]=3 211 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,0,0,0,0,1|2,0,0]=3 212 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,0,0,0,0,1|2,0,0]=3 213 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,0,0,0,0,1|2,0,0]=3 214 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,0,0,0,0,1|3,0,0]=4 215 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [0,0,0,0,0,1|3,0,0]=4 216 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,0,0,0,0,1|1,0,0]=2 217 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [0,0,0,0,0,1|3,0,0]=4 218 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [0,0,0,0,0,1|3,0,0]=4 219 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [0,0,0,0,0,1|3,0,0]=4 220 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [0,0,0,0,0,1|3,0,0]=4 221 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [0,0,0,0,0,1|3,0,0]=4 222 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [0,0,0,0,0,1|3,0,0]=4 223 B10R1.61 Cc1cnccc1N(C)C 27a_100102631434_100000765111 [0,0,0,0,0,1|3,0,0]=4 224 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,0,0,0,0,1|3,0,0]=4 225 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,0,0,0,0,1|3,0,0]=4 226 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [0,0,0,0,0,1|3,0,0]=4 227 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,0,0,0,0,1|3,0,0]=4 228 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,0,0,0,0,1|3,0,0]=4 229 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,0,0,0,0,1|2,0,0]=3 230 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,0,0,0,0,1|2,0,0]=3 231 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,0,0,0,0,1|2,0,0]=3 232 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,0,0,0,0,1|2,0,0]=3 233 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,0,0,0,0,1|2,0,0]=3 234 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,0,0,0,0,1|2,0,0]=3 235 B10R1.64 CC(=Cc1ccnn1C)C 271570a_100102525489_100000688441 [0,0,0,0,0,1|2,0,0]=3 236 B10R1.64 CC(=Cc1ccsc1C)C 271570a_100102525489_100000684487 [0,0,0,0,0,1|3,0,0]=4 237 B10R1.64 CC(=Cc1cncn1C)C 271570a_100102525489_100009814087 [0,0,0,0,0,1|2,0,0]=3 238 B10R1.64 CC(=Cc1cscc1C)C 271570a_100102525489_100000759966 [0,0,0,0,0,1|3,0,0]=4 239 B10R1.64 CC(=Cc1nccn1C)C 271570a_100102525489_100000707724 [0,0,0,0,0,1|2,0,0]=3 240 B10R1.64 CC(=Cc1ncnn1C)C 271570a_100102525489_100000732653 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.64 CC(=Cc1sccc1C)C 271570a_100102525489_100000742657 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.64 CC(=O)Cc1ccnn1C 1458a_100000070787_100000691648 [0,0,0,0,0,1|1,0,0]=2 243 B10R1.64 CC(=O)Cc1ccsc1Br 1458a_100000070787_100009814289 [0,0,0,0,0,1|3,0,0]=4 244 B10R1.64 CC(=O)Cc1ccsc1Cl 1458a_100000070787_100010167017 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.64 CC(=O)Cc1nc[nH]c1C 1458a_100000070787_100000751220 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.64 CC(=O)Cc1ncoc1C 1458a_100000070787_200000693990 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.64 CC(=O)Cn1ccnc1C 1458a_100000740315_200000210301 [0,0,0,0,0,1|3,0,0]=4 248 B10R1.64 CC(=O)Cn1nccc1C 1458a_100000759144_200000210301 [0,0,0,0,0,1|3,0,0]=4 249 B10R1.64 CC(C)Oc1ccnn1C 34a_100020632926_100000210206 [0,0,0,0,0,1|2,0,1]=4 250 B10R1.64 CC(C)Sc1ccnn1C 62a_100000210206_100000688441 [0,0,0,0,0,1|2,0,1]=4 251 B10R1.64 CC(C)Sc1ccnn1C 62a_100000688441_100000210206 [0,0,0,0,0,1|2,0,1]=4 252 B10R1.64 CC(C)Sc1cncn1C 62a_100000210206_100009814087 [0,0,0,0,0,1|2,0,1]=4 253 B10R1.64 CC(C)Sc1cncn1C 62a_100009814087_100000210206 [0,0,0,0,0,1|2,0,1]=4 254 B10R1.64 CC(C)Sc1nccn1C 62a_100000210206_100000707724 [0,0,0,0,0,1|2,0,1]=4 255 B10R1.64 CC(C)Sc1nccn1C 62a_100000707724_100000210206 [0,0,0,0,0,1|2,0,1]=4 256 B10R1.64 CN(C)Cc1cccn1C 2230a_100000188278_200000210301 [0,0,0,0,0,1|2,0,0]=3 257 B10R1.64 CN(C)Cc1cccn1C 269982a_100000188278_200000210301 [0,0,0,0,0,1|2,0,0]=3 258 B10R1.64 CN(C)Cc1cccn1C 270004a_100102631434_100000211633 [0,0,0,0,0,1|2,0,0]=3 259 B10R1.64 CN(C)Cc1ccnn1C 2230a_100000723423_200000210301 [0,0,0,0,0,1|3,0,0]=4 260 B10R1.64 CN(C)Cc1ccnn1C 2230a_100102631434_100000691648 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.64 CN(C)Cc1ccnn1C 269982a_100000723423_200000210301 [0,0,0,0,0,1|3,0,0]=4 262 B10R1.64 CN(C)Cc1ccnn1C 269982a_100102631434_100000691648 [0,0,0,0,0,1|3,0,0]=4 263 B10R1.64 CN(C)Cc1ccnn1C 270004a_100102631434_100000737161 [0,0,0,0,0,1|3,0,0]=4 264 B10R1.64 CN(C)Cc1cncn1C 270004a_100102631434_100000750899 [0,0,0,0,0,1|3,0,0]=4 265 B10R1.64 CN(C)Cc1nccn1C 2230a_100102631434_100000700302 [0,0,0,0,0,1|3,0,0]=4 266 B10R1.64 CN(C)Cc1nccn1C 269982a_100102631434_100000700302 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.64 CN(C)Cc1nccn1C 270004a_100102631434_100000748660 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.64 CN([13CH3])Cc1cccn1C 2230a_100000188278_200025704644 [0,0,0,0,0,1|2,0,0]=3 269 B10R1.64 CN([13CH3])Cc1cccn1C 269982a_100000188278_200025704644 [0,0,0,0,0,1|2,0,0]=3 270 B10R1.64 CN([13CH3])Cc1ccnn1C 2230a_100000723423_200025704644 [0,0,0,0,0,1|3,0,0]=4 271 B10R1.64 CN([13CH3])Cc1ccnn1C 269982a_100000723423_200025704644 [0,0,0,0,0,1|3,0,0]=4 272 B10R1.64 Cc1ccnn1CC(=O)[13CH3] 1458a_100000759144_200025704644 [0,0,0,0,0,1|3,0,0]=4 273 B10R1.64 Cc1nccn1CC(=O)[13CH3] 1458a_100000740315_200025704644 [0,0,0,0,0,1|3,0,0]=4 274 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,0,0,0,0,1|3,0,0]=4 275 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [0,0,0,0,0,1|1,0,1]=3 276 B10R1.113 C=C(C)c1ccc[n+](c1)[O-] 271570a_100000694244_100009815978 [0,0,0,0,0,1|2,0,1]=4 277 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [0,0,0,0,0,1|3,0,0]=4 278 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [0,0,0,0,0,1|3,0,0]=4 279 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,0,0,0,0,1|2,0,0]=3 280 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [0,0,0,0,0,1|3,0,0]=4 281 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [0,0,0,0,0,1|3,0,0]=4 282 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [0,0,0,0,0,1|3,0,0]=4 283 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,0,0,0,0,1|3,0,0]=4 284 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,0,0,0,0,1|3,0,0]=4 285 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [0,0,0,0,0,1|3,0,0]=4 286 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [0,0,0,0,0,1|3,0,0]=4 287 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,0,0,0,0,1|2,0,0]=3 288 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [0,0,0,0,0,1|3,0,0]=4 289 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [0,0,0,0,0,1|3,0,0]=4 290 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [0,0,0,0,0,1|3,0,0]=4 291 B10R1.113 C=C(C)c1ccnc(n1)C 271570a_100000694244_100000749937 [0,0,0,0,0,1|3,0,0]=4 292 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,0,0,0,0,1|3,0,0]=4 293 B10R1.113 C=C(C)c1cncc(n1)C 271570a_100000694244_100009842155 [0,0,0,0,0,1|3,0,0]=4 294 B10R1.113 C=C(C)c1nccc(n1)C 271570a_100000694244_100011243806 [0,0,0,0,0,1|3,0,0]=4 295 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,0,0,0,0,1|3,0,0]=4 296 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,0,0,0,0,1|2,0,0]=3 297 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,0,0,0,0,1|1,0,0]=2 298 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,0,0,0,0,1|2,0,0]=3 299 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,0,0,0,0,1|2,0,0]=3 300 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,0,0,0,0,1|2,0,0]=3 301 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,0,0,0,0,1|2,0,0]=3 302 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,0,0,0,0,1|2,0,0]=3 303 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,0,0,0,0,1|2,0,0]=3 304 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,0,0,0,0,1|3,0,0]=4 305 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,0,0,0,0,1|3,0,0]=4 306 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,0,0,0,0,1|3,0,0]=4 307 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [0,0,0,0,0,1|3,0,0]=4 308 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,0,0,0,0,1|1,0,0]=2 309 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [0,0,0,0,0,1|3,0,0]=4 310 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [0,0,0,0,0,1|3,0,0]=4 311 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [0,0,0,0,0,1|3,0,0]=4 312 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [0,0,0,0,0,1|3,0,0]=4 313 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [0,0,0,0,0,1|3,0,0]=4 314 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [0,0,0,0,0,1|3,0,0]=4 315 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,0,0,0,0,1|3,0,0]=4 316 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,0,0,0,0,1|3,0,0]=4 317 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,0,0,0,0,1|2,0,0]=3 318 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,0,0,0,0,1|2,0,0]=3 319 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,0,0,0,0,1|2,0,0]=3 320 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,0,0,0,0,1|2,0,0]=3 321 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,0,0,0,0,1|2,0,0]=3 322 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [1,0,1,0,0,0|1,0,1]=4 323 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [1,0,1,0,0,0|1,0,1]=4 324 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [1,0,1,0,0,0|0,0,2]=4 325 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [1,0,1,0,0,0|0,0,2]=4 326 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [1,0,1,0,0,0|1,0,1]=4 327 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [1,0,1,0,0,0|1,0,1]=4 328 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [1,0,1,0,0,0|1,0,1]=4 329 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [1,0,1,0,0,0|1,0,1]=4 330 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,1,0,0,0|0,0,2]=4 331 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,1,0,0,0|0,0,2]=4 332 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [1,0,1,0,0,0|1,0,1]=4 333 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [1,0,1,0,0,0|1,0,1]=4 334 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,1,0,0,0|0,0,0]=2 335 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,1,0,0,0|0,0,0]=2 336 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [1,0,1,0,0,0|1,0,1]=4 337 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,1,0,0,0|0,0,2]=4 338 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,1,0,0,0|0,0,2]=4 339 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,1,0,0,0|0,0,2]=4 340 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,1,0,0,0|0,0,2]=4 341 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,1,0,0,0|0,0,2]=4 342 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,1,0,0,0|1,0,1]=4 343 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,1,0,0,0|1,0,1]=4 344 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,1,0,0,0|1,0,1]=4 345 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,1,0,0,0|1,0,1]=4 346 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [1,0,1,0,0,0|0,0,2]=4 347 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [1,0,1,0,0,0|0,0,2]=4 348 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [1,0,1,0,0,0|1,0,1]=4 349 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [1,0,1,0,0,0|1,0,1]=4 350 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [1,0,1,0,0,0|1,0,1]=4 351 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [1,0,1,0,0,0|1,0,1]=4 352 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [2,0,0,0,0,0|1,0,1]=4 353 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [2,0,0,0,0,0|1,0,1]=4 354 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [2,0,0,0,0,0|1,0,1]=4 355 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [2,0,0,0,0,0|2,0,0]=4 356 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [2,0,0,0,0,0|2,0,0]=4 357 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [2,0,0,0,0,0|2,0,0]=4 358 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [2,0,0,0,0,0|2,0,0]=4 359 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [2,0,0,0,0,0|2,0,0]=4 360 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [2,0,0,0,0,0|2,0,0]=4 361 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [2,0,0,0,0,0|2,0,0]=4 362 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [2,0,0,0,0,0|2,0,0]=4 363 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [2,0,0,0,0,0|2,0,0]=4 364 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [2,0,0,0,0,0|2,0,0]=4 365 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [2,0,0,0,0,0|2,0,0]=4 366 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [2,0,0,0,0,0|2,0,0]=4 367 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [2,0,0,0,0,0|1,0,1]=4 368 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [2,0,0,0,0,0|1,0,1]=4 369 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [2,0,0,0,0,0|1,0,1]=4 370 B9R0.6 C=CCN(C)C(=O)C(=C)C 11a_100000225617_100000185857 [0,1,1,0,0,0|2,0,0]=4 371 B9R0.6 C=CCN(C)C(=O)C(=C)C 1626a_100000225617_100000185857 [0,1,1,0,0,0|2,0,0]=4 372 B9R0.6 C=CCN(C)C(=O)C(=O)N 240690a_100000225617_100011215815 [0,1,1,0,0,0|2,0,0]=4 373 B9R0.6 C=CCN(C)C(C)C(=O)C 2230a_100000225617_100009814033 [0,1,1,0,0,0|0,0,2]=4 374 B9R0.6 C=CCN(C)C(C)C(=O)C 269982a_100000225617_100009814033 [0,1,1,0,0,0|0,0,2]=4 375 B9R0.23 C=CC(=O)C(C)OC(=O)C 1458a_100000185746_100009818208 [0,1,1,0,0,0|2,0,0]=4 376 B9R0.23 C=CC(=O)N(C)CC(=C)C 1626a_100000225649_100000185746 [0,1,1,0,0,0|1,0,1]=4 377 B9R0.34 C=CCN(C)CC(=O)CC 269982a_100000225617_100000747405 [0,1,1,0,0,0|0,0,2]=4 378 B9R0.34 C=CCN(C)CC(=O)NC 2230a_100000189611_100000210623 [0,1,1,0,0,0|0,0,2]=4 379 B9R0.34 C=CCN(C)CC(=O)NC 2230a_100000225617_100000183359 [0,1,1,0,0,0|0,0,2]=4 380 B9R0.34 C=CCN(C)CC(=O)NC 269982a_100000225617_100000183359 [0,1,1,0,0,0|0,0,2]=4 381 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000198492_100000210623 [0,1,1,0,0,0|0,0,2]=4 382 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000225617_100000747449 [0,1,1,0,0,0|0,0,2]=4 383 B9R0.34 C=CCN(C)CC(=O)OC 269982a_100000225617_100000747449 [0,1,1,0,0,0|0,0,2]=4 384 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,1,1,0,0,0|1,0,0]=3 385 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,1,1,0,0,0|1,0,0]=3 386 B9R0.2 CCC=CC=NNC(=O)C 4a_100000189765_100011216943 [0,1,1,0,0,0|2,0,0]=4 387 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,1,1,0,0,0|2,0,0]=4 388 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,1,1,0,0,0|2,0,0]=4 389 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [1,1,0,0,0,0|1,0,1]=4 390 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.35 C=C(C)c1cc(n[nH]1)Br 271570a_100000694244_100160470719 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.35 C=C(C)c1nc(c[nH]1)C 271570a_100000694244_100161115468 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [1,1,0,0,0,0|1,0,0]=3 396 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [1,1,0,0,0,0|0,0,0]=2 397 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [1,1,0,0,0,0|1,0,0]=3 398 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [1,1,0,0,0,0|1,0,0]=3 399 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [1,1,0,0,0,0|1,0,1]=4 402 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [1,1,0,0,0,0|1,0,1]=4 403 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [1,1,0,0,0,0|1,0,1]=4 404 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [1,1,0,0,0,0|1,0,0]=3 405 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.14 C=Cc1ccnn1CC 271570a_100011290941_100000728327 [1,1,0,0,0,0|1,0,1]=4 409 B9R1.14 C=Cc1nccn1CC 271570a_100011290941_100011617267 [1,1,0,0,0,0|1,0,1]=4 410 B9R1.14 CCn1ccnc1SC 62a_100011617267_200000210301 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.14 CCn1ccnc1SC 62a_200000210301_100011617267 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.14 CCn1ccnc1S[13CH3] 62a_100011617267_200025704644 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.14 CCn1ccnc1S[13CH3] 62a_200025704644_100011617267 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.14 CCn1nccc1OC 34a_100012181048_200000210301 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.14 CCn1nccc1O[13CH3] 34a_100012181048_200025704644 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.14 CCn1nccc1SC 62a_100000728327_200000210301 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.14 CCn1nccc1SC 62a_200000210301_100000728327 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.14 CCn1nccc1S[13CH3] 62a_100000728327_200025704644 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.14 CCn1nccc1S[13CH3] 62a_200025704644_100000728327 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.14 CSc1ccoc1C=O 62a_100000756499_200000210301 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.14 CSc1ccoc1C=O 62a_200000210301_100000756499 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.14 CSc1ccsc1C=O 62a_100000766043_200000210301 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.14 CSc1ccsc1C=O 62a_200000210301_100000766043 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.14 CSc1cscc1C=O 62a_100000685484_200000210301 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.14 CSc1cscc1C=O 62a_200000210301_100000685484 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.14 CSc1sccc1C=O 62a_100009816921_200000210301 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.14 CSc1sccc1C=O 62a_200000210301_100009816921 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_100000756499_200025704644 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_200025704644_100000756499 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_100000766043_200025704644 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_200025704644_100000766043 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.14 [13CH3]Sc1cscc1C=O 62a_100000685484_200025704644 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.14 [13CH3]Sc1cscc1C=O 62a_200025704644_100000685484 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.14 [13CH3]Sc1sccc1C=O 62a_100009816921_200025704644 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.14 [13CH3]Sc1sccc1C=O 62a_200025704644_100009816921 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.22 C=Cc1cc(nn1C)C 271570a_100011290941_100009818511 [1,1,0,0,0,0|1,0,1]=4 437 B9R1.22 C=Cc1cc(nn1C)N 271570a_100011290941_100116209741 [1,1,0,0,0,0|1,0,1]=4 438 B9R1.22 C=Cc1nc(cn1C)C 271570a_100011290941_100009816808 [1,1,0,0,0,0|1,0,1]=4 439 B9R1.22 COc1cc(nn1C)C 34a_100000738638_200000210301 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.22 CSc1cc(nn1C)C 62a_100009818511_200000210301 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.22 CSc1cc(nn1C)C 62a_200000210301_100009818511 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.22 CSc1cc(nn1C)N 62a_100116209741_200000210301 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.22 CSc1cc(nn1C)N 62a_200000210301_100116209741 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.22 CSc1nc(cn1C)C 62a_100009816808_200000210301 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.22 CSc1nc(cn1C)C 62a_200000210301_100009816808 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.22 Cc1cc(n(n1)C)O[13CH3] 34a_100000738638_200025704644 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_100009818511_200025704644 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_200025704644_100009818511 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.22 Cc1cc(sc1C=O)O 271570a_203496583355_100010221198 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_100009816808_200025704644 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_200025704644_100009816808 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.22 Cn1cc(cc1C#N)O 271570a_203496583355_100009830613 [1,1,0,0,0,0|1,0,1]=4 453 B9R1.22 Cn1nc(cc1S[13CH3])N 62a_100116209741_200025704644 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.22 Cn1nc(cc1S[13CH3])N 62a_200025704644_100116209741 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.27 CCc1c(cnn1C)O 271570a_203496583355_200010713286 [1,1,0,0,0,0|1,0,1]=4 456 B9R1.27 Cn1cnc(c1C=O)O 271570a_203496583355_200000040309 [1,1,0,0,0,0|1,0,0]=3 457 B9R1.27 Cn1ncc(c1C=O)O 271570a_203496583355_100000763672 [1,1,0,0,0,0|1,0,0]=3 458 B9R1.33 C=C=Cc1ccnn1C 271570a_100015277604_100000688441 [1,1,0,0,0,0|1,0,1]=4 459 B9R1.33 C=C=Cc1cncn1C 271570a_100015277604_100009814087 [1,1,0,0,0,0|1,0,1]=4 460 B9R1.33 C=C=Cc1nccn1C 271570a_100015277604_100000707724 [1,1,0,0,0,0|1,0,1]=4 461 B9R1.33 CC=Cc1ccnn1C 271570a_100016259895_100000688441 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.33 CC=Cc1ccsc1C 271570a_100016259895_100000684487 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.33 CC=Cc1cncn1C 271570a_100016259895_100009814087 [1,1,0,0,0,0|1,0,0]=3 464 B9R1.33 CC=Cc1cscc1C 271570a_100016259895_100000759966 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.33 CC=Cc1nccn1C 271570a_100016259895_100000707724 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.33 CC=Cc1ncnn1C 271570a_100016259895_100000732653 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.33 CCOc1ccnn1C 34a_100020632926_100000210202 [1,1,0,0,0,0|1,0,1]=4 469 B9R1.33 CCSc1ccnn1C 62a_100000210202_100000688441 [1,1,0,0,0,0|1,0,1]=4 470 B9R1.33 CCSc1ccnn1C 62a_100000688441_100000210202 [1,1,0,0,0,0|1,0,1]=4 471 B9R1.33 CCSc1cncn1C 62a_100000210202_100009814087 [1,1,0,0,0,0|1,0,1]=4 472 B9R1.33 CCSc1cncn1C 62a_100009814087_100000210202 [1,1,0,0,0,0|1,0,1]=4 473 B9R1.33 CCSc1nccn1C 62a_100000210202_100000707724 [1,1,0,0,0,0|1,0,1]=4 474 B9R1.33 CCSc1nccn1C 62a_100000707724_100000210202 [1,1,0,0,0,0|1,0,1]=4 475 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [1,1,0,0,0,0|0,0,1]=3 476 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [1,1,0,0,0,0|0,0,1]=3 477 B9R1.33 CNCc1ccnn1C 207a_100102657272_100000737161 [1,1,0,0,0,0|1,0,1]=4 478 B9R1.33 CNCc1ccnn1C 2230a_106832991635_100000691648 [1,1,0,0,0,0|1,0,1]=4 479 B9R1.33 CNCc1ccnn1C 270004a_106832991635_100000737161 [1,1,0,0,0,0|1,0,1]=4 480 B9R1.33 CNCc1ccnn1C 34a_100025706696_200000210301 [1,1,0,0,0,0|1,0,1]=4 481 B9R1.33 CNCc1ccnn1C 34a_100102657272_100000691648 [1,1,0,0,0,0|1,0,1]=4 482 B9R1.33 CNCc1ccnn1C 7a_106832991635_100000691648 [1,1,0,0,0,0|1,0,1]=4 483 B9R1.33 CNCc1cncn1C 207a_100102657272_100000750899 [1,1,0,0,0,0|1,0,1]=4 484 B9R1.33 CNCc1cncn1C 270004a_106832991635_100000750899 [1,1,0,0,0,0|1,0,1]=4 485 B9R1.33 CNCc1nccn1C 207a_100102657272_100000748660 [1,1,0,0,0,0|1,0,1]=4 486 B9R1.33 CNCc1nccn1C 2230a_100015186572_200000210301 [1,1,0,0,0,0|1,0,1]=4 487 B9R1.33 CNCc1nccn1C 2230a_106832991635_100000700302 [1,1,0,0,0,0|1,0,1]=4 488 B9R1.33 CNCc1nccn1C 270004a_106832991635_100000748660 [1,1,0,0,0,0|1,0,1]=4 489 B9R1.33 CNCc1nccn1C 34a_100102657272_100000700302 [1,1,0,0,0,0|1,0,1]=4 490 B9R1.33 CNCc1nccn1C 7a_106832991635_100000700302 [1,1,0,0,0,0|1,0,1]=4 491 B9R1.33 COCc1ccnn1C 34a_100000684702_200000210301 [1,1,0,0,0,0|1,0,1]=4 492 B9R1.33 COCc1ccnn1C 34a_100138415774_100000691648 [1,1,0,0,0,0|1,0,1]=4 493 B9R1.33 COCc1nccn1C 34a_100138415774_100000700302 [1,1,0,0,0,0|1,0,1]=4 494 B9R1.33 COCc1nccn1C 7a_100000691215_200000210301 [1,1,0,0,0,0|1,0,1]=4 495 B9R1.33 CSCc1ccnn1C 62a_100000691648_200000210301 [1,1,0,0,0,0|1,0,1]=4 496 B9R1.33 CSCc1ccnn1C 62a_200000210301_100000691648 [1,1,0,0,0,0|1,0,1]=4 497 B9R1.33 CSCc1nccn1C 62a_100000700302_200000210301 [1,1,0,0,0,0|1,0,1]=4 498 B9R1.33 CSCc1nccn1C 62a_200000210301_100000700302 [1,1,0,0,0,0|1,0,1]=4 499 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [1,1,0,0,0,0|0,0,1]=3 500 B9R1.33 Cn1ccnc1CN[13CH3] 2230a_100015186572_200025704644 [1,1,0,0,0,0|1,0,1]=4 501 B9R1.33 Cn1ccnc1CO[13CH3] 7a_100000691215_200025704644 [1,1,0,0,0,0|1,0,1]=4 502 B9R1.33 Cn1ccnc1CS[13CH3] 62a_100000700302_200025704644 [1,1,0,0,0,0|1,0,1]=4 503 B9R1.33 Cn1ccnc1CS[13CH3] 62a_200025704644_100000700302 [1,1,0,0,0,0|1,0,1]=4 504 B9R1.33 Cn1ccnc1SCF 62a_100000707724_100015361967 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.33 Cn1ccnc1SCF 62a_100015361967_100000707724 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.33 Cn1cncc1SCF 62a_100009814087_100015361967 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.33 Cn1cncc1SCF 62a_100015361967_100009814087 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.33 Cn1nccc1CN[13CH3] 34a_100025706696_200025704644 [1,1,0,0,0,0|1,0,1]=4 509 B9R1.33 Cn1nccc1CO[13CH3] 34a_100000684702_200025704644 [1,1,0,0,0,0|1,0,1]=4 510 B9R1.33 Cn1nccc1CS[13CH3] 62a_100000691648_200025704644 [1,1,0,0,0,0|1,0,1]=4 511 B9R1.33 Cn1nccc1CS[13CH3] 62a_200025704644_100000691648 [1,1,0,0,0,0|1,0,1]=4 512 B9R1.33 Cn1nccc1OCF 34a_100020632926_100015361967 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.33 Cn1nccc1SCF 62a_100000688441_100015361967 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.33 Cn1nccc1SCF 62a_100015361967_100000688441 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.132 C=Cc1cnc(n1C)C 271570a_100011290941_100000762843 [1,1,0,0,0,0|1,0,1]=4 516 B9R1.132 C=Cc1ncc(n1C)C 271570a_100011290941_100009816807 [1,1,0,0,0,0|1,0,1]=4 517 B9R1.132 CSc1cnc(n1C)C 62a_100000762843_200000210301 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.132 CSc1cnc(n1C)C 62a_200000210301_100000762843 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.132 CSc1ncc(n1C)C 62a_100009816807_200000210301 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.132 CSc1ncc(n1C)C 62a_200000210301_100009816807 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_100009816807_200025704644 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_200025704644_100009816807 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_100000762843_200025704644 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_200025704644_100000762843 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.132 Cn1c(cnc1C=O)O 271570a_203496583355_200009816901 [1,1,0,0,0,0|1,0,0]=3 526 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [0,1,0,0,0,1|1,0,1]=4 527 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [0,1,0,0,0,1|1,0,1]=4 528 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.53 C=C(C)c1cccnc1CN 271570a_100000694244_100020591323 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.53 C=C(C)c1cccnc1CO 271570a_100000694244_100011996772 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.53 C=C(C)c1cccnc1NC 271570a_100000694244_100000700899 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.53 C=C(C)c1cccnc1SC 271570a_100000694244_100011465278 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.53 C=C(C)c1ccncc1CC 271570a_100000694244_100025704421 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.53 C=C(C)c1ccncc1CO 271570a_100000694244_100000117392 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.53 C=C(C)c1ccncc1OC 271570a_100000694244_100016988167 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.53 C=C(C)c1cnccc1CC 271570a_100000694244_100009819861 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.53 C=C(C)c1cnccc1CN 271570a_100000694244_100020640021 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.53 C=C(C)c1cnccc1CO 271570a_100000694244_100009873359 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.53 C=C(C)c1cnccc1NC 271570a_100000694244_100010069531 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.53 C=C(C)c1cnccc1OC 271570a_100000694244_100011997281 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.53 C=C(C)c1ncccc1CN 271570a_100000694244_100015189234 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.53 C=C(C)c1ncccc1CO 271570a_100000694244_100000748726 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.53 C=C(C)c1ncccc1NC 271570a_100000694244_200011806188 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,1,0,0,0,1|1,0,1]=4 555 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,1,0,0,0,1|1,0,1]=4 556 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,1,0,0,0,1|1,0,1]=4 557 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [0,1,0,0,0,1|1,0,1]=4 558 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [0,1,0,0,0,1|1,0,1]=4 559 B11R1.53 C=Cc1cnccc1C(=O)C 271570a_100011290941_100009993184 [0,1,0,0,0,1|1,0,1]=4 560 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [0,1,0,0,0,1|1,0,1]=4 561 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [0,1,0,0,0,1|1,0,1]=4 562 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,1,0,0,0,1|1,0,0]=3 563 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,1,0,0,0,1|1,0,0]=3 565 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [0,1,0,0,0,1|1,0,0]=3 566 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [0,1,0,0,0,1|1,0,0]=3 567 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [0,1,0,0,0,1|1,0,0]=3 568 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [0,1,0,0,0,1|1,0,0]=3 569 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [0,1,0,0,0,1|1,0,0]=3 570 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [0,1,0,0,0,1|1,0,0]=3 571 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [0,1,0,0,0,1|1,0,0]=3 572 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,1,0,0,0,1|1,0,0]=3 573 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,1,0,0,0,1|1,0,0]=3 574 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,1,0,0,0,1|1,0,0]=3 575 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,1,0,0,0,1|1,0,0]=3 576 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,1,0,0,0,1|1,0,0]=3 579 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,1,0,0,0,1|1,0,0]=3 580 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [0,1,0,0,0,1|1,0,0]=3 583 B11R1.53 CNc1ccncc1C(=O)N 27a_100102657272_100000697804 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [0,1,0,0,0,1|1,0,0]=3 585 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,1,0,0,0,1|1,0,0]=3 588 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,1,0,0,0,1|1,0,0]=3 591 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,1,0,0,0,1|1,0,0]=3 593 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,1,0,0,0,1|1,0,0]=3 594 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [0,1,0,0,0,1|1,0,0]=3 598 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,1,0,0,0,1|1,0,0]=3 601 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,1,0,0,0,1|1,0,0]=3 602 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,1,0,0,0,1|1,0,0]=3 607 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [0,1,0,0,0,1|2,0,0]=4 608 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,1,0,0,0,1|1,0,0]=3 609 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,1,0,0,0,1|1,0,0]=3 610 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [0,1,0,0,0,1|2,0,0]=4 611 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [0,1,0,0,0,1|1,0,0]=3 613 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [0,1,0,0,0,1|1,0,0]=3 614 B11R1.53 CSc1ccncc1C(=O)N 62a_100000697804_200000210301 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.53 CSc1ccncc1C(=O)N 62a_200000210301_100000697804 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [0,1,0,0,0,1|1,0,0]=3 617 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [0,1,0,0,0,1|1,0,0]=3 618 B11R1.53 CSc1cnccc1C(=O)N 62a_100010205435_200000210301 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.53 CSc1cnccc1C(=O)N 62a_200000210301_100010205435 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [0,1,0,0,0,1|1,0,0]=3 621 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [0,1,0,0,0,1|1,0,0]=3 622 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [0,1,0,0,0,1|1,0,1]=4 627 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,1,0,0,0,1|1,0,0]=3 628 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_100000697804_200025704644 [0,1,0,0,0,1|2,0,0]=4 644 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_200025704644_100000697804 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_100010205435_200025704644 [0,1,0,0,0,1|2,0,0]=4 646 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_200025704644_100010205435 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [0,1,0,0,0,1|2,0,0]=4 649 B11R1.156 C=C(C)c1c(ccc[n+]1[O-])C 271570a_100000694244_100116209805 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.156 C=C(C)c1c(cccc1C)C 271570a_100000694244_100000033847 [0,1,0,0,0,1|2,0,0]=4 651 B11R1.156 C=C(C)c1c(cccc1Cl)C 271570a_100000694244_100000043165 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.156 C=C(C)c1c(cccc1F)C 271570a_100000694244_100012349962 [0,1,0,0,0,1|2,0,0]=4 653 B11R1.156 C=C(C)c1c(cccc1N)C 271570a_100000694244_100000684715 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.156 C=C(C)c1c(cccc1O)C 271570a_100000694244_100000686692 [0,1,0,0,0,1|2,0,0]=4 655 B11R1.156 C=C(C)c1c(ccnc1C)C 271570a_100000694244_100012000501 [0,1,0,0,0,1|2,0,0]=4 656 B11R1.156 C=C(C)c1c(ccnc1C)N 271570a_100000694244_100010243816 [0,1,0,0,0,1|2,0,0]=4 657 B11R1.156 C=C(C)c1c(ccnc1F)C 271570a_100000694244_100009818256 [0,1,0,0,0,1|2,0,0]=4 658 B11R1.156 C=C(C)c1c(ccnc1N)C 271570a_100000694244_100011998619 [0,1,0,0,0,1|2,0,0]=4 659 B11R1.156 C=C(C)c1c(ccnc1O)C 271570a_100000694244_100012000493 [0,1,0,0,0,1|2,0,0]=4 660 B11R1.156 C=C(C)c1c(cncc1C)C 271570a_100000694244_100009817138 [0,1,0,0,0,1|2,0,0]=4 661 B11R1.156 CC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000210301 [0,1,0,0,0,1|2,0,0]=4 662 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [0,1,0,0,0,1|1,0,0]=3 663 B11R1.156 CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000210301 [0,1,0,0,0,1|2,0,0]=4 664 B11R1.156 CC(=O)c1c(cccc1Br)F 1458a_100000752694_200000210301 [0,1,0,0,0,1|2,0,0]=4 665 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [0,1,0,0,0,1|2,0,0]=4 666 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [0,1,0,0,0,1|1,0,0]=3 667 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [0,1,0,0,0,1|1,0,0]=3 668 B11R1.156 CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000210301 [0,1,0,0,0,1|2,0,0]=4 669 B11R1.156 CC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000210301 [0,1,0,0,0,1|2,0,0]=4 670 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [0,1,0,0,0,1|2,0,0]=4 671 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [0,1,0,0,0,1|1,0,0]=3 672 B11R1.156 CC(=O)c1c(cccc1F)F 1458a_100000210804_200000210301 [0,1,0,0,0,1|2,0,0]=4 673 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [0,1,0,0,0,1|2,0,0]=4 674 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [0,1,0,0,0,1|2,0,0]=4 675 B11R1.156 CC(=O)c1c(cccc1I)Br 1458a_100010232521_200000210301 [0,1,0,0,0,1|2,0,0]=4 676 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [0,1,0,0,0,1|1,0,0]=3 677 B11R1.156 CC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000210301 [0,1,0,0,0,1|2,0,0]=4 678 B11R1.156 CC(=O)c1c(cccc1I)F 1458a_100000023732_200000210301 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [0,1,0,0,0,1|1,0,0]=3 680 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [0,1,0,0,0,1|2,0,0]=4 681 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [0,1,0,0,0,1|2,0,0]=4 682 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [0,1,0,0,0,1|2,0,0]=4 683 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [0,1,0,0,0,1|1,0,0]=3 684 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [0,1,0,0,0,1|1,0,0]=3 685 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [0,1,0,0,0,1|1,0,0]=3 686 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [0,1,0,0,0,1|1,0,0]=3 687 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [0,1,0,0,0,1|1,0,0]=3 688 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [0,1,0,0,0,1|1,0,0]=3 689 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Br 1458a_100000690891_200025704644 [0,1,0,0,0,1|2,0,0]=4 690 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Cl 1458a_100011253703_200025704644 [0,1,0,0,0,1|2,0,0]=4 691 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)F 1458a_100000752694_200025704644 [0,1,0,0,0,1|2,0,0]=4 692 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [0,1,0,0,0,1|2,0,0]=4 693 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200025704644 [0,1,0,0,0,1|2,0,0]=4 694 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)F 1458a_100000210369_200025704644 [0,1,0,0,0,1|2,0,0]=4 695 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [0,1,0,0,0,1|2,0,0]=4 696 B11R1.156 [13CH3]C(=O)c1c(cccc1F)F 1458a_100000210804_200025704644 [0,1,0,0,0,1|2,0,0]=4 697 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [0,1,0,0,0,1|2,0,0]=4 698 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Br 1458a_100010232521_200025704644 [0,1,0,0,0,1|2,0,0]=4 699 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Cl 1458a_100000702859_200025704644 [0,1,0,0,0,1|2,0,0]=4 700 B11R1.156 [13CH3]C(=O)c1c(cccc1I)F 1458a_100000023732_200025704644 [0,1,0,0,0,1|2,0,0]=4 701 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [0,1,0,0,0,1|2,0,0]=4 702 B11R1.159 C=C(C)c1cccc(=O)n1C 271570a_100000694244_100000726605 [0,1,0,0,0,1|1,0,0]=3 703 B11R1.159 C=C(C)c1cccc(c1C)Br 271570a_100000694244_100012353703 [0,1,0,0,0,1|2,0,0]=4 704 B11R1.159 C=C(C)c1cccc(c1C)C 271570a_100000694244_100011214922 [0,1,0,0,0,1|2,0,0]=4 705 B11R1.159 C=C(C)c1cccc(c1C)Cl 271570a_100000694244_100000726075 [0,1,0,0,0,1|2,0,0]=4 706 B11R1.159 C=C(C)c1cccc(c1C)F 271570a_100000694244_100011216893 [0,1,0,0,0,1|2,0,0]=4 707 B11R1.159 C=C(C)c1cccc(c1C)N 271570a_100000694244_100000761887 [0,1,0,0,0,1|2,0,0]=4 708 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [0,1,0,0,0,1|2,0,0]=4 709 B11R1.159 C=C(C)c1ccnc(c1C)C 271570a_100000694244_100009846815 [0,1,0,0,0,1|2,0,0]=4 710 B11R1.159 C=C(C)c1ccnc(c1C)Cl 271570a_100000694244_100000047055 [0,1,0,0,0,1|2,0,0]=4 711 B11R1.159 C=C(C)c1ccnc(c1C)F 271570a_100000694244_100010006593 [0,1,0,0,0,1|2,0,0]=4 712 B11R1.159 C=C(C)c1ccnc(c1C)N 271570a_100000694244_100009865460 [0,1,0,0,0,1|2,0,0]=4 713 B11R1.159 C=C(C)c1ccnc(c1C)O 271570a_100000694244_100009858498 [0,1,0,0,0,1|2,0,0]=4 714 B11R1.159 C=C(C)c1cncc(c1C)Br 271570a_100000694244_100010109657 [0,1,0,0,0,1|2,0,0]=4 715 B11R1.159 C=C(C)c1cncc(c1C)C 271570a_100000694244_100009864703 [0,1,0,0,0,1|2,0,0]=4 716 B11R1.159 C=C(C)c1cncc(c1C)F 271570a_100000694244_100009881546 [0,1,0,0,0,1|2,0,0]=4 717 B11R1.159 C=C(C)c1cncc(c1C)N 271570a_100000694244_100011998293 [0,1,0,0,0,1|2,0,0]=4 718 B11R1.159 C=C(C)c1nccc(c1C)C 271570a_100000694244_100009847204 [0,1,0,0,0,1|2,0,0]=4 719 B11R1.159 C=C(C)c1nccc(c1C)F 271570a_100000694244_100009846374 [0,1,0,0,0,1|2,0,0]=4 720 B11R1.159 C=C(C)c1nccc(c1C)N 271570a_100000694244_100009980296 [0,1,0,0,0,1|2,0,0]=4 721 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [0,1,0,0,0,1|2,0,0]=4 722 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,1,0,0,0,1|2,0,0]=4 723 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [0,1,0,0,0,1|2,0,0]=4 724 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [0,1,0,0,0,1|2,0,0]=4 725 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [0,1,0,0,0,1|2,0,0]=4 726 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [0,1,0,0,0,1|2,0,0]=4 727 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [0,1,0,0,0,1|1,0,0]=3 728 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,1,0,0,0,1|1,0,0]=3 729 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,1,0,0,0,1|1,0,0]=3 730 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [0,1,0,0,0,1|1,0,0]=3 731 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [0,1,0,0,0,1|1,0,0]=3 732 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,1,0,0,0,1|1,0,0]=3 733 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,1,0,0,0,1|1,0,0]=3 734 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [0,1,0,0,0,1|2,0,0]=4 735 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,1,0,0,0,1|2,0,0]=4 736 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [0,1,0,0,0,1|2,0,0]=4 737 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [0,1,0,0,0,1|2,0,0]=4 738 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [0,1,0,0,0,1|2,0,0]=4 739 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [0,1,0,0,0,1|2,0,0]=4 740 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [0,1,0,0,0,1|2,0,0]=4 741 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,1,0,0,0,1|2,0,0]=4 742 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [0,1,0,0,0,1|2,0,0]=4 743 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [0,1,0,0,0,1|2,0,0]=4 744 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [0,1,0,0,0,1|2,0,0]=4 745 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [0,1,0,0,0,1|2,0,0]=4 746 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [0,1,0,0,0,1|2,0,0]=4 747 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [0,1,0,0,0,1|2,0,0]=4 748 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,1,0,0,0,1|2,0,0]=4 749 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [0,1,0,0,0,1|2,0,0]=4 750 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [0,1,0,0,0,1|2,0,0]=4 751 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [0,1,0,0,0,1|2,0,0]=4 752 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [0,1,0,0,0,1|2,0,0]=4 753 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,1,0,0,0,1|2,0,0]=4 754 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [0,1,0,0,0,1|2,0,0]=4 755 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [0,1,0,0,0,1|2,0,0]=4 756 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [0,1,0,0,0,1|2,0,0]=4 757 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [0,1,0,0,0,1|2,0,0]=4 758 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [0,1,0,0,0,1|2,0,0]=4 759 B11R1.159 CC(=O)c1ccnc(c1N)O 271570a_203496583355_200000063496 [0,1,0,0,0,1|2,0,0]=4 760 B11R1.159 CC(=O)c1nccc(c1F)O 271570a_203496583355_100010729024 [0,1,0,0,0,1|2,0,0]=4 761 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [0,1,0,0,0,1|1,0,0]=3 763 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,1,0,0,0,1|1,0,0]=3 764 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [0,1,0,0,0,1|1,0,0]=3 765 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [0,1,0,0,0,1|1,0,0]=3 766 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,1,0,0,0,1|1,0,0]=3 767 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,1,0,0,0,1|2,0,0]=4 768 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,1,0,0,0,1|1,0,0]=3 769 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,1,0,0,0,1|2,0,0]=4 770 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,1,0,0,0,1|2,0,0]=4 771 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,1,0,0,0,1|2,0,0]=4 772 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,1,0,0,0,1|2,0,0]=4 773 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [0,1,0,0,0,1|2,0,0]=4 774 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [0,1,0,0,0,1|2,0,0]=4 775 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [0,1,0,0,0,1|2,0,0]=4 776 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [0,1,0,0,0,1|2,0,0]=4 777 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [0,1,0,0,0,1|2,0,0]=4 778 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [0,1,0,0,0,1|2,0,0]=4 779 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [0,1,0,0,0,1|2,0,0]=4 780 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [0,1,0,0,0,1|2,0,0]=4 781 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [0,1,0,0,0,1|2,0,0]=4 782 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [0,1,0,0,0,1|2,0,0]=4 783 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [0,1,0,0,0,1|2,0,0]=4 784 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [0,1,0,0,0,1|2,0,0]=4 785 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [0,1,0,0,0,1|2,0,0]=4 786 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [0,1,0,0,0,1|2,0,0]=4 787 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [0,1,0,0,0,1|2,0,0]=4 788 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [0,1,0,0,0,1|2,0,0]=4 789 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [0,1,0,0,0,1|2,0,0]=4 790 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [0,1,0,0,0,1|2,0,0]=4 791 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [0,1,0,0,0,1|2,0,0]=4 792 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [0,1,0,0,0,1|2,0,0]=4 793 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [0,1,0,0,0,1|2,0,0]=4 794 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [0,1,0,0,0,1|2,0,0]=4 795 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [0,1,0,0,0,1|2,0,0]=4 796 B11R1.166 C=C(C)c1cc[n+](cc1C)[O-] 271570a_100000694244_100000074940 [0,1,0,0,0,1|2,0,0]=4 797 B11R1.166 C=C(C)c1ccc(cc1C)Br 271570a_100000694244_100000701812 [0,1,0,0,0,1|2,0,0]=4 798 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [0,1,0,0,0,1|2,0,0]=4 799 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [0,1,0,0,0,1|2,0,0]=4 800 B11R1.166 C=C(C)c1ccc(cc1C)F 271570a_100000694244_100011205405 [0,1,0,0,0,1|2,0,0]=4 801 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [0,1,0,0,0,1|2,0,0]=4 802 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [0,1,0,0,0,1|2,0,0]=4 803 B11R1.166 C=C(C)c1ccc(nc1C)C 271570a_100000694244_100009813853 [0,1,0,0,0,1|2,0,0]=4 804 B11R1.166 C=C(C)c1ccc(nc1C)Cl 271570a_100000694244_100000062408 [0,1,0,0,0,1|2,0,0]=4 805 B11R1.166 C=C(C)c1ccc(nc1C)F 271570a_100000694244_100000688911 [0,1,0,0,0,1|2,0,0]=4 806 B11R1.166 C=C(C)c1ccc(nc1C)N 271570a_100000694244_100000013003 [0,1,0,0,0,1|2,0,0]=4 807 B11R1.166 C=C(C)c1ccc(nc1C)O 271570a_100000694244_100000691680 [0,1,0,0,0,1|2,0,0]=4 808 B11R1.166 C=C(C)c1cnc(cc1C)Br 271570a_100000694244_100009816104 [0,1,0,0,0,1|2,0,0]=4 809 B11R1.166 C=C(C)c1cnc(cc1C)C 271570a_100000694244_100009819613 [0,1,0,0,0,1|2,0,0]=4 810 B11R1.166 C=C(C)c1cnc(cc1C)Cl 271570a_100000694244_100010172789 [0,1,0,0,0,1|2,0,0]=4 811 B11R1.166 C=C(C)c1cnc(cc1C)F 271570a_100000694244_100009820716 [0,1,0,0,0,1|2,0,0]=4 812 B11R1.166 C=C(C)c1cnc(cc1C)N 271570a_100000694244_100000050067 [0,1,0,0,0,1|2,0,0]=4 813 B11R1.166 C=C(C)c1cnc(cc1C)O 271570a_100000694244_100010114363 [0,1,0,0,0,1|2,0,0]=4 814 B11R1.166 C=C(C)c1ncc(cc1C)Br 271570a_100000694244_100012353652 [0,1,0,0,0,1|2,0,0]=4 815 B11R1.166 C=C(C)c1ncc(cc1C)C 271570a_100000694244_100009864548 [0,1,0,0,0,1|2,0,0]=4 816 B11R1.166 C=C(C)c1ncc(cc1C)F 271570a_100000694244_100009817009 [0,1,0,0,0,1|2,0,0]=4 817 B11R1.166 C=C(C)c1ncc(cc1C)N 271570a_100000694244_100000761747 [0,1,0,0,0,1|2,0,0]=4 818 B11R1.166 C=C(C)c1ncc(cc1C)O 271570a_100000694244_100012000486 [0,1,0,0,0,1|2,0,0]=4 819 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,1,0,0,0,1|2,0,0]=4 820 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,1,0,0,0,1|2,0,0]=4 821 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,1,0,0,0,1|2,0,0]=4 822 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,1,0,0,0,1|2,0,0]=4 823 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,1,0,0,0,1|2,0,0]=4 824 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,1,0,0,0,1|2,0,0]=4 825 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,1,0,0,0,1|1,0,0]=3 826 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,1,0,0,0,1|1,0,0]=3 827 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,1,0,0,0,1|1,0,0]=3 828 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,1,0,0,0,1|1,0,0]=3 829 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,1,0,0,0,1|1,0,0]=3 830 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,1,0,0,0,1|1,0,0]=3 831 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,1,0,0,0,1|1,0,0]=3 832 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,1,0,0,0,1|2,0,0]=4 833 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,1,0,0,0,1|2,0,0]=4 834 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,1,0,0,0,1|2,0,0]=4 835 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,1,0,0,0,1|2,0,0]=4 836 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,1,0,0,0,1|2,0,0]=4 837 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,1,0,0,0,1|2,0,0]=4 838 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,1,0,0,0,1|2,0,0]=4 839 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,1,0,0,0,1|2,0,0]=4 840 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,1,0,0,0,1|2,0,0]=4 841 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,1,0,0,0,1|2,0,0]=4 842 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,1,0,0,0,1|2,0,0]=4 843 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,1,0,0,0,1|2,0,0]=4 844 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,1,0,0,0,1|2,0,0]=4 845 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,1,0,0,0,1|2,0,0]=4 846 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,1,0,0,0,1|2,0,0]=4 847 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,1,0,0,0,1|2,0,0]=4 848 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,1,0,0,0,1|2,0,0]=4 849 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,1,0,0,0,1|2,0,0]=4 850 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,1,0,0,0,1|2,0,0]=4 851 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,1,0,0,0,1|2,0,0]=4 852 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,1,0,0,0,1|2,0,0]=4 853 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,1,0,0,0,1|2,0,0]=4 854 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,1,0,0,0,1|2,0,0]=4 855 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,1,0,0,0,1|2,0,0]=4 856 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,1,0,0,0,1|2,0,0]=4 857 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,1,0,0,0,1|2,0,0]=4 858 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,1,0,0,0,1|2,0,0]=4 859 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,1,0,0,0,1|2,0,0]=4 860 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [0,1,0,0,0,1|2,0,0]=4 861 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,1,0,0,0,1|2,0,0]=4 862 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,1,0,0,0,1|1,0,0]=3 863 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,1,0,0,0,1|1,0,0]=3 864 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,1,0,0,0,1|1,0,0]=3 865 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,1,0,0,0,1|1,0,0]=3 866 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,1,0,0,0,1|1,0,0]=3 867 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [0,1,0,0,0,1|2,0,0]=4 868 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,1,0,0,0,1|2,0,0]=4 869 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,1,0,0,0,1|1,0,0]=3 870 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,1,0,0,0,1|2,0,0]=4 871 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,1,0,0,0,1|2,0,0]=4 872 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,1,0,0,0,1|2,0,0]=4 873 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,1,0,0,0,1|2,0,0]=4 874 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,1,0,0,0,1|2,0,0]=4 875 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,1,0,0,0,1|2,0,0]=4 876 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,1,0,0,0,1|2,0,0]=4 877 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,1,0,0,0,1|2,0,0]=4 878 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,1,0,0,0,1|2,0,0]=4 879 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,1,0,0,0,1|2,0,0]=4 880 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,1,0,0,0,1|2,0,0]=4 881 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,1,0,0,0,1|2,0,0]=4 882 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,1,0,0,0,1|2,0,0]=4 883 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,1,0,0,0,1|2,0,0]=4 884 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,1,0,0,0,1|2,0,0]=4 885 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,1,0,0,0,1|2,0,0]=4 886 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,1,0,0,0,1|2,0,0]=4 887 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,1,0,0,0,1|2,0,0]=4 888 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,1,0,0,0,1|2,0,0]=4 889 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,1,0,0,0,1|2,0,0]=4 890 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,1,0,0,0,1|2,0,0]=4 891 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,1,0,0,0,1|2,0,0]=4 892 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,1,0,0,0,1|2,0,0]=4 893 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,1,0,0,0,1|2,0,0]=4 894 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,1,0,0,0,1|2,0,0]=4 895 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,1,0,0,0,1|2,0,0]=4 896 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,1,0,0,0,1|2,0,0]=4 897 B11R1.167 C=C(C)c1cc(ccc1C)Br 271570a_100000694244_100011344865 [0,1,0,0,0,1|2,0,0]=4 898 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [0,1,0,0,0,1|2,0,0]=4 899 B11R1.167 C=C(C)c1cc(ccc1C)Cl 271570a_100000694244_100011263213 [0,1,0,0,0,1|2,0,0]=4 900 B11R1.167 C=C(C)c1cc(ccc1C)F 271570a_100000694244_100011218078 [0,1,0,0,0,1|2,0,0]=4 901 B11R1.167 C=C(C)c1cc(ccc1C)N 271570a_100000694244_100000736455 [0,1,0,0,0,1|2,0,0]=4 902 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [0,1,0,0,0,1|2,0,0]=4 903 B11R1.167 C=C(C)c1cc(cnc1C)Br 271570a_100000694244_200010090566 [0,1,0,0,0,1|2,0,0]=4 904 B11R1.167 C=C(C)c1cc(cnc1C)C 271570a_100000694244_100009817436 [0,1,0,0,0,1|2,0,0]=4 905 B11R1.167 C=C(C)c1cc(cnc1C)F 271570a_100000694244_100009860710 [0,1,0,0,0,1|2,0,0]=4 906 B11R1.167 C=C(C)c1cc(cnc1C)N 271570a_100000694244_100011998591 [0,1,0,0,0,1|2,0,0]=4 907 B11R1.167 C=C(C)c1cc(cnc1C)O 271570a_100000694244_100009819603 [0,1,0,0,0,1|2,0,0]=4 908 B11R1.167 C=C(C)c1cc(ncc1C)Br 271570a_100000694244_100010067628 [0,1,0,0,0,1|2,0,0]=4 909 B11R1.167 C=C(C)c1cc(ncc1C)C 271570a_100000694244_100009862788 [0,1,0,0,0,1|2,0,0]=4 910 B11R1.167 C=C(C)c1cc(ncc1C)Cl 271570a_100000694244_100010068021 [0,1,0,0,0,1|2,0,0]=4 911 B11R1.167 C=C(C)c1cc(ncc1C)F 271570a_100000694244_100000049870 [0,1,0,0,0,1|2,0,0]=4 912 B11R1.167 C=C(C)c1cc(ncc1C)N 271570a_100000694244_100009819938 [0,1,0,0,0,1|2,0,0]=4 913 B11R1.167 C=C(C)c1cc(ncc1C)O 271570a_100000694244_100009831917 [0,1,0,0,0,1|2,0,0]=4 914 B11R1.167 C=C(C)c1nc(ccc1C)C 271570a_100000694244_100009854376 [0,1,0,0,0,1|2,0,0]=4 915 B11R1.167 C=C(C)c1nc(ccc1C)N 271570a_100000694244_100000126722 [0,1,0,0,0,1|2,0,0]=4 916 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,1,0,0,0,1|2,0,0]=4 917 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,1,0,0,0,1|2,0,0]=4 918 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,1,0,0,0,1|2,0,0]=4 919 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,1,0,0,0,1|2,0,0]=4 920 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,1,0,0,0,1|2,0,0]=4 921 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,1,0,0,0,1|2,0,0]=4 922 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,1,0,0,0,1|1,0,0]=3 923 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,1,0,0,0,1|1,0,0]=3 924 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,1,0,0,0,1|1,0,0]=3 925 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,1,0,0,0,1|1,0,0]=3 926 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,1,0,0,0,1|1,0,0]=3 927 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,1,0,0,0,1|1,0,0]=3 928 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,1,0,0,0,1|1,0,0]=3 929 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,1,0,0,0,1|2,0,0]=4 930 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,1,0,0,0,1|2,0,0]=4 931 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,1,0,0,0,1|2,0,0]=4 932 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,1,0,0,0,1|2,0,0]=4 933 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,1,0,0,0,1|2,0,0]=4 934 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,1,0,0,0,1|2,0,0]=4 935 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,1,0,0,0,1|2,0,0]=4 936 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,1,0,0,0,1|2,0,0]=4 937 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,1,0,0,0,1|2,0,0]=4 938 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,1,0,0,0,1|2,0,0]=4 939 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,1,0,0,0,1|2,0,0]=4 940 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,1,0,0,0,1|2,0,0]=4 941 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,1,0,0,0,1|2,0,0]=4 942 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,1,0,0,0,1|2,0,0]=4 943 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,1,0,0,0,1|2,0,0]=4 944 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,1,0,0,0,1|2,0,0]=4 945 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,1,0,0,0,1|2,0,0]=4 946 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,1,0,0,0,1|2,0,0]=4 947 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,1,0,0,0,1|2,0,0]=4 948 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,1,0,0,0,1|2,0,0]=4 949 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,1,0,0,0,1|2,0,0]=4 950 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,1,0,0,0,1|2,0,0]=4 951 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,1,0,0,0,1|2,0,0]=4 952 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,1,0,0,0,1|2,0,0]=4 953 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,1,0,0,0,1|2,0,0]=4 954 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,1,0,0,0,1|2,0,0]=4 955 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,1,0,0,0,1|2,0,0]=4 956 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,1,0,0,0,1|2,0,0]=4 957 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,1,0,0,0,1|2,0,0]=4 958 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,1,0,0,0,1|2,0,0]=4 959 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,1,0,0,0,1|2,0,0]=4 960 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,1,0,0,0,1|2,0,0]=4 961 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [0,1,0,0,0,1|1,0,0]=3 962 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [0,1,0,0,0,1|2,0,0]=4 963 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [0,1,0,0,0,1|2,0,0]=4 964 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,1,0,0,0,1|2,0,0]=4 965 B11R1.167 CC(=O)c1cc(ncc1F)O 271570a_203496583355_100000697832 [0,1,0,0,0,1|2,0,0]=4 966 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [0,1,0,0,0,1|2,0,0]=4 967 B11R1.167 CC(=O)c1nc(ncc1C)O 271570a_203496583355_100010687370 [0,1,0,0,0,1|2,0,0]=4 968 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,1,0,0,0,1|2,0,0]=4 969 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,1,0,0,0,1|1,0,0]=3 970 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,1,0,0,0,1|2,0,0]=4 971 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,1,0,0,0,1|2,0,0]=4 972 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,1,0,0,0,1|2,0,0]=4 973 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,1,0,0,0,1|2,0,0]=4 974 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [0,1,0,0,0,1|2,0,0]=4 975 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,1,0,0,0,1|1,0,0]=3 976 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,1,0,0,0,1|1,0,0]=3 977 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,1,0,0,0,1|1,0,0]=3 978 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,1,0,0,0,1|1,0,0]=3 979 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,1,0,0,0,1|1,0,0]=3 980 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,1,0,0,0,1|2,0,0]=4 981 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,1,0,0,0,1|2,0,0]=4 982 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,1,0,0,0,1|2,0,0]=4 983 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,1,0,0,0,1|2,0,0]=4 984 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,1,0,0,0,1|2,0,0]=4 985 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,1,0,0,0,1|2,0,0]=4 986 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,1,0,0,0,1|2,0,0]=4 987 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,1,0,0,0,1|2,0,0]=4 988 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,1,0,0,0,1|2,0,0]=4 989 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,1,0,0,0,1|2,0,0]=4 990 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,1,0,0,0,1|2,0,0]=4 991 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,1,0,0,0,1|2,0,0]=4 992 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,1,0,0,0,1|2,0,0]=4 993 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,1,0,0,0,1|2,0,0]=4 994 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,1,0,0,0,1|2,0,0]=4 995 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,1,0,0,0,1|2,0,0]=4 996 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,1,0,0,0,1|2,0,0]=4 997 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,1,0,0,0,1|2,0,0]=4 998 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,1,0,0,0,1|2,0,0]=4 999 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,1,0,0,0,1|2,0,0]=4 1000 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,1,0,0,0,1|2,0,0]=4 1001 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,1,0,0,0,1|2,0,0]=4 1002 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,1,0,0,0,1|2,0,0]=4 1003 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,1,0,0,0,1|2,0,0]=4 1004 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,1,0,0,0,1|2,0,0]=4 1005 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,1,0,0,0,1|2,0,0]=4 1006 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,1,0,0,0,1|1,0,0]=3 1007 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,1,0,0,0,1|2,0,0]=4 1008 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,1,0,0,0,1|2,0,0]=4 1009 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,1,0,0,0,1|2,0,0]=4 1010 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,1,0,0,0,1|2,0,0]=4 1011 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,1,0,0,0,1|2,0,0]=4 1012 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,1,0,0,0,1|2,0,0]=4 1013 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,1,0,0,0,1|2,0,0]=4 1014 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,1,0,0,0,1|2,0,0]=4 1015 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,1,0,0,0,1|2,0,0]=4 1016 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,1,0,0,0,1|1,0,0]=3 1017 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,1,0,0,0,1|1,0,0]=3 1018 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,1,0,0,0,1|1,0,0]=3 1019 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,1,0,0,0,1|1,0,0]=3 1020 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,1,0,0,0,1|2,0,0]=4 1021 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,1,0,0,0,1|2,0,0]=4 1022 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,1,0,0,0,1|2,0,0]=4 1023 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,1,0,0,0,1|2,0,0]=4 1024 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,1,0,0,0,1|2,0,0]=4 1025 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,1,0,0,0,1|2,0,0]=4 1026 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,1,0,0,0,1|2,0,0]=4 1027 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,1,0,0,0,1|2,0,0]=4 1028 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,1,0,0,0,1|2,0,0]=4 1029 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,1,0,0,0,1|2,0,0]=4 1030 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,1,0,0,0,1|2,0,0]=4 1031 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,1,0,0,0,1|2,0,0]=4 1032 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,1,0,0,0,1|2,0,0]=4 1033 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,1,0,0,0,1|2,0,0]=4 1034 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,1,0,0,0,1|2,0,0]=4 1035 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,1,0,0,0,1|2,0,0]=4 1036 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,1,0,0,0,1|2,0,0]=4 1037 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,1,0,0,0,1|2,0,0]=4 1038 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,1,0,0,0,1|2,0,0]=4 1039 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,1,0,0,0,1|2,0,0]=4 1040 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,1,0,0,0,1|2,0,0]=4 1041 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,1,0,0,0,1|2,0,0]=4 1042 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,1,0,0,0,1|2,0,0]=4 1043 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,1,0,0,0,1|1,0,0]=3 1044 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,1,0,0,0,1|2,0,0]=4 1045 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,1,0,0,0,1|2,0,0]=4 1046 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,1,0,0,0,1|2,0,0]=4 1047 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,1,0,0,0,1|2,0,0]=4 1048 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,1,0,0,0,1|2,0,0]=4 1049 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,1,0,0,0,1|2,0,0]=4 1050 B11R1.57 CCn1cccc1CN(C)C 270004a_100102631434_100011302050 [0,1,0,0,0,1|2,0,0]=4 1051 B11R1.57 CCn1ccnc1C=C(C)C 271570a_100102525489_100011617267 [0,1,0,0,0,1|2,0,0]=4 1052 B11R1.57 CCn1cncc1CC(=O)C 1458a_100000070787_100015185705 [0,1,0,0,0,1|1,0,0]=3 1053 B11R1.57 CCn1cnnc1CC(=O)C 1458a_100000070787_100015368369 [0,1,0,0,0,1|2,0,0]=4 1054 B11R1.57 CCn1nccc1C=C(C)C 271570a_100102525489_100000728327 [0,1,0,0,0,1|2,0,0]=4 1055 B11R1.57 CCn1nccc1CC(=O)C 1458a_100000070787_100025719316 [0,1,0,0,0,1|1,0,0]=3 1056 B11R1.89 CC(=C(C)c1ccnn1C)C 271570a_200000049429_100000688441 [0,1,0,0,0,1|2,0,0]=4 1057 B11R1.89 CC(=C(C)c1cncn1C)C 271570a_200000049429_100009814087 [0,1,0,0,0,1|2,0,0]=4 1058 B11R1.89 CC(=C(C)c1nccn1C)C 271570a_200000049429_100000707724 [0,1,0,0,0,1|2,0,0]=4 1059 B11R1.228 C#CC(=O)Cc1ccnn1C 1458a_100000211873_100000691648 [0,1,0,0,0,1|1,0,1]=4 1060 B11R1.228 C=CC(=O)Cc1ccnn1C 1458a_100000185746_100000691648 [0,1,0,0,0,1|1,0,1]=4 1061 B11R1.228 CCC(=O)Cc1ccnn1C 1458a_100000210414_100000691648 [0,1,0,0,0,1|1,0,0]=3 1062 B11R1.228 CCN(C)Cc1cccn1C 2230a_100000188278_100000210202 [0,1,0,0,0,1|2,0,0]=4 1063 B11R1.228 CCN(C)Cc1cccn1C 269982a_100000188278_100000204670 [0,1,0,0,0,1|2,0,0]=4 1064 B11R1.228 CN(CF)Cc1cccn1C 269982a_100000188278_100015361967 [0,1,0,0,0,1|2,0,0]=4 1065 B11R1.228 CNC(=O)Cc1nccn1C 11a_106832991635_200015194843 [0,1,0,0,0,1|1,0,0]=3 1066 B11R1.228 CNC(=O)Cc1nccn1C 240690a_100102657272_200015194843 [0,1,0,0,0,1|1,0,0]=3 1067 B11R1.228 Cn1nccc1CC(=O)CO 1458a_100000210174_100000691648 [0,1,0,0,0,1|1,0,0]=3 1068 B11R1.313 CC(=Cc1cnc(n1C)C)C 271570a_100102525489_100000762843 [0,1,0,0,0,1|2,0,0]=4 1069 B11R1.313 CC(=Cc1ncc(n1C)C)C 271570a_100102525489_100009816807 [0,1,0,0,0,1|2,0,0]=4 1070 B11R1.313 CC(=O)Cc1n[nH]c(=O)n1C 1458a_100000070787_100010408635 [0,1,0,0,0,1|2,0,0]=4 1071 B11R1.495 CC(=O)Cn1c(ccc1C)C 1458a_100000238583_200000210301 [0,1,0,0,0,1|2,0,0]=4 1072 B11R1.495 Cc1ccc(n1CC(=O)[13CH3])C 1458a_100000238583_200025704644 [0,1,0,0,0,1|2,0,0]=4 1073 B11R1.645 CC(=Cc1cc(nn1C)C)C 271570a_100102525489_100009818511 [0,1,0,0,0,1|2,0,0]=4 1074 B11R1.645 CC(=Cc1cc(nn1C)N)C 271570a_100102525489_100116209741 [0,1,0,0,0,1|2,0,0]=4 1075 B11R1.645 CC(=Cc1nc(cn1C)C)C 271570a_100102525489_100009816808 [0,1,0,0,0,1|2,0,0]=4 1076 B11R1.645 CC(=O)Cc1cc(nn1C)C 1458a_100000070787_100025716357 [0,1,0,0,0,1|1,0,0]=3 1077 B11R1.645 CC(=O)Cc1cc(nn1C)C 1458a_100132302298_200000210301 [0,1,0,0,0,1|1,0,0]=3 1078 B11R1.645 Cc1cc(n(n1)C)CC(=O)[13CH3] 1458a_100132302298_200025704644 [0,1,0,0,0,1|1,0,0]=3 1079 B11R1.21 C=C(C)c1ccc(=O)n(c1)C 271570a_100000694244_100011245003 [0,1,0,0,0,1|1,0,0]=3 1080 B11R1.21 C=C(C)c1ccc(=O)n(n1)C 271570a_100000694244_100009820752 [0,1,0,0,0,1|1,0,0]=3 1081 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [0,1,0,0,0,1|2,0,0]=4 1082 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [0,1,0,0,0,1|2,0,0]=4 1083 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [0,1,0,0,0,1|2,0,0]=4 1084 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [0,1,0,0,0,1|2,0,0]=4 1085 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [0,1,0,0,0,1|2,0,0]=4 1086 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [0,1,0,0,0,1|2,0,0]=4 1087 B11R1.21 C=C(C)c1ccc(c(n1)C)Br 271570a_100000694244_100012360386 [0,1,0,0,0,1|2,0,0]=4 1088 B11R1.21 C=C(C)c1ccc(c(n1)C)C 271570a_100000694244_100000103781 [0,1,0,0,0,1|2,0,0]=4 1089 B11R1.21 C=C(C)c1ccc(c(n1)C)F 271570a_100000694244_100009814307 [0,1,0,0,0,1|2,0,0]=4 1090 B11R1.21 C=C(C)c1ccc(c(n1)C)N 271570a_100000694244_100000760127 [0,1,0,0,0,1|2,0,0]=4 1091 B11R1.21 C=C(C)c1ccc(c(n1)C)O 271570a_100000694244_100010233687 [0,1,0,0,0,1|2,0,0]=4 1092 B11R1.21 C=C(C)c1cn(c(=O)cn1)C 271570a_100000694244_100009843036 [0,1,0,0,0,1|2,0,0]=4 1093 B11R1.21 C=C(C)c1cnc(=O)n(c1)C 271570a_100000694244_100009819886 [0,1,0,0,0,1|2,0,0]=4 1094 B11R1.21 CC(=O)C1=NN(C(=O)CC1)C 1458a_100000223367_200000210301 [0,1,0,0,0,1|0,0,2]=4 1095 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,1,0,0,0,1|2,0,0]=4 1096 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,1,0,0,0,1|2,0,0]=4 1097 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,1,0,0,0,1|2,0,0]=4 1098 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,1,0,0,0,1|2,0,0]=4 1099 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,1,0,0,0,1|2,0,0]=4 1100 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,1,0,0,0,1|2,0,0]=4 1101 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,1,0,0,0,1|2,0,0]=4 1102 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,1,0,0,0,1|2,0,0]=4 1103 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,1,0,0,0,1|1,0,0]=3 1104 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,1,0,0,0,1|1,0,0]=3 1105 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,1,0,0,0,1|1,0,0]=3 1106 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,1,0,0,0,1|1,0,0]=3 1107 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,1,0,0,0,1|1,0,0]=3 1108 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,1,0,0,0,1|1,0,0]=3 1109 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,1,0,0,0,1|1,0,0]=3 1110 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,1,0,0,0,1|2,0,0]=4 1111 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,1,0,0,0,1|2,0,0]=4 1112 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,1,0,0,0,1|2,0,0]=4 1113 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,1,0,0,0,1|2,0,0]=4 1114 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,1,0,0,0,1|2,0,0]=4 1115 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,1,0,0,0,1|2,0,0]=4 1116 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,1,0,0,0,1|2,0,0]=4 1117 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,1,0,0,0,1|2,0,0]=4 1118 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,1,0,0,0,1|2,0,0]=4 1119 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,1,0,0,0,1|2,0,0]=4 1120 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,1,0,0,0,1|2,0,0]=4 1121 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,1,0,0,0,1|2,0,0]=4 1122 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,1,0,0,0,1|2,0,0]=4 1123 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,1,0,0,0,1|2,0,0]=4 1124 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,1,0,0,0,1|2,0,0]=4 1125 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,1,0,0,0,1|2,0,0]=4 1126 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,1,0,0,0,1|2,0,0]=4 1127 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,1,0,0,0,1|2,0,0]=4 1128 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,1,0,0,0,1|2,0,0]=4 1129 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,1,0,0,0,1|2,0,0]=4 1130 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,1,0,0,0,1|2,0,0]=4 1131 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,1,0,0,0,1|2,0,0]=4 1132 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,1,0,0,0,1|2,0,0]=4 1133 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,1,0,0,0,1|2,0,0]=4 1134 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,1,0,0,0,1|2,0,0]=4 1135 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,1,0,0,0,1|2,0,0]=4 1136 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,1,0,0,0,1|2,0,0]=4 1137 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,1,0,0,0,1|2,0,0]=4 1138 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,1,0,0,0,1|2,0,0]=4 1139 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,1,0,0,0,1|2,0,0]=4 1140 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,1,0,0,0,1|2,0,0]=4 1141 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,1,0,0,0,1|2,0,0]=4 1142 B11R1.21 CN1N=C(CCC1=O)C(=O)[13CH3] 1458a_100000223367_200025704644 [0,1,0,0,0,1|0,0,2]=4 1143 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,1,0,0,0,1|1,0,0]=3 1144 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,1,0,0,0,1|1,0,0]=3 1145 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,1,0,0,0,1|1,0,0]=3 1146 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,1,0,0,0,1|1,0,0]=3 1147 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,1,0,0,0,1|2,0,0]=4 1148 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,1,0,0,0,1|1,0,0]=3 1149 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,1,0,0,0,1|2,0,0]=4 1150 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,1,0,0,0,1|1,0,0]=3 1151 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,1,0,0,0,1|2,0,0]=4 1152 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,1,0,0,0,1|2,0,0]=4 1153 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,1,0,0,0,1|2,0,0]=4 1154 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,1,0,0,0,1|2,0,0]=4 1155 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,1,0,0,0,1|2,0,0]=4 1156 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,1,0,0,0,1|2,0,0]=4 1157 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,1,0,0,0,1|2,0,0]=4 1158 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,1,0,0,0,1|2,0,0]=4 1159 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,1,0,0,0,1|2,0,0]=4 1160 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,1,0,0,0,1|2,0,0]=4 1161 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,1,0,0,0,1|2,0,0]=4 1162 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,1,0,0,0,1|2,0,0]=4 1163 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,1,0,0,0,1|2,0,0]=4 1164 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,1,0,0,0,1|2,0,0]=4 1165 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,1,0,0,0,1|2,0,0]=4 1166 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,1,0,0,0,1|2,0,0]=4 1167 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,1,0,0,0,1|2,0,0]=4 1168 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,1,0,0,0,1|2,0,0]=4 1169 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,1,0,0,0,1|2,0,0]=4 1170 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,1,0,0,0,1|2,0,0]=4 1171 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,1,0,0,0,1|2,0,0]=4 1172 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,1,0,0,0,1|2,0,0]=4 1173 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,1,0,0,0,1|2,0,0]=4 1174 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,1,0,0,0,1|2,0,0]=4 1175 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,1,0,0,0,1|2,0,0]=4 1176 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,1,0,0,0,1|2,0,0]=4 1177 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,1,0,0,0,1|2,0,0]=4 1178 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,1,0,0,0,1|2,0,0]=4 1179 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,1,0,0,0,1|2,0,0]=4 1180 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,1,0,0,0,1|2,0,0]=4 1181 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,1,0,0,0,1|1,0,0]=3 1182 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,1,0,0,0,1|2,0,0]=4 1183 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,1,0,0,0,1|2,0,0]=4 1184 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,1,0,0,0,1|2,0,0]=4 1185 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,1,0,0,0,1|2,0,0]=4 1186 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,1,0,0,0,1|2,0,0]=4 1187 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,1,0,0,0,1|2,0,0]=4 1188 B11R1.23 CNC(=O)C1=CCCN(C1)C 240690a_100102657272_100020639683 [0,1,0,0,0,1|0,0,2]=4 1189 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,1,0,0,0,1|2,0,0]=4 1190 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,1,0,0,0,1|2,0,0]=4 1191 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,1,0,0,0,1|2,0,0]=4 1192 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,1,0,0,0,1|2,0,0]=4 1193 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,1,0,0,0,1|1,0,0]=3 1194 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,1,0,0,0,1|1,0,0]=3 1195 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,1,0,0,0,1|1,0,0]=3 1196 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,1,0,0,0,1|1,0,0]=3 1197 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,1,0,0,0,1|2,0,0]=4 1198 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,1,0,0,0,1|2,0,0]=4 1199 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,1,0,0,0,1|2,0,0]=4 1200 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,1,0,0,0,1|2,0,0]=4 1201 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,1,0,0,0,1|2,0,0]=4 1202 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,1,0,0,0,1|2,0,0]=4 1203 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,1,0,0,0,1|2,0,0]=4 1204 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,1,0,0,0,1|2,0,0]=4 1205 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,1,0,0,0,1|2,0,0]=4 1206 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,1,0,0,0,1|2,0,0]=4 1207 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,1,0,0,0,1|2,0,0]=4 1208 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,1,0,0,0,1|2,0,0]=4 1209 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,1,0,0,0,1|2,0,0]=4 1210 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,1,0,0,0,1|2,0,0]=4 1211 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,1,0,0,0,1|2,0,0]=4 1212 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,1,0,0,0,1|2,0,0]=4 1213 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,1,0,0,0,1|2,0,0]=4 1214 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,1,0,0,0,1|2,0,0]=4 1215 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,1,0,0,0,1|1,0,0]=3 1216 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,1,0,0,0,1|2,0,0]=4 1217 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,1,0,0,0,1|2,0,0]=4 1218 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,1,0,0,0,1|2,0,0]=4 1219 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,1,0,0,0,1|2,0,0]=4 1220 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,1,0,0,0,1|2,0,0]=4 1221 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,1,0,0,0,1|2,0,0]=4 1222 B11R1.74 C=C(C)c1cc(cc(c1)C)C 271570a_100000694244_100011215608 [0,1,0,0,0,1|2,0,0]=4 1223 B11R1.74 C=C(C)c1cc(cc(c1)Cl)C 271570a_100000694244_100010172791 [0,1,0,0,0,1|2,0,0]=4 1224 B11R1.74 C=C(C)c1cc(cc(c1)F)C 271570a_100000694244_100011356977 [0,1,0,0,0,1|2,0,0]=4 1225 B11R1.74 C=C(C)c1cc(cc(c1)N)C 271570a_100000694244_100000695972 [0,1,0,0,0,1|2,0,0]=4 1226 B11R1.74 C=C(C)c1cc(cc(c1)O)C 271570a_100000694244_100011999630 [0,1,0,0,0,1|2,0,0]=4 1227 B11R1.74 C=C(C)c1cc(cc(n1)C)C 271570a_100000694244_100000069240 [0,1,0,0,0,1|2,0,0]=4 1228 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200000210301 [0,1,0,0,0,1|2,0,0]=4 1229 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [0,1,0,0,0,1|1,0,0]=3 1230 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [0,1,0,0,0,1|2,0,0]=4 1231 B11R1.74 CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200000210301 [0,1,0,0,0,1|2,0,0]=4 1232 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [0,1,0,0,0,1|2,0,0]=4 1233 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [0,1,0,0,0,1|2,0,0]=4 1234 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [0,1,0,0,0,1|1,0,0]=3 1235 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [0,1,0,0,0,1|1,0,0]=3 1236 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [0,1,0,0,0,1|2,0,0]=4 1237 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [0,1,0,0,0,1|2,0,0]=4 1238 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [0,1,0,0,0,1|2,0,0]=4 1239 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [0,1,0,0,0,1|1,0,0]=3 1240 B11R1.74 CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_200000210301 [0,1,0,0,0,1|2,0,0]=4 1241 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [0,1,0,0,0,1|2,0,0]=4 1242 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [0,1,0,0,0,1|2,0,0]=4 1243 B11R1.74 CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200000210301 [0,1,0,0,0,1|2,0,0]=4 1244 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [0,1,0,0,0,1|1,0,0]=3 1245 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [0,1,0,0,0,1|2,0,0]=4 1246 B11R1.74 CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_200000210301 [0,1,0,0,0,1|2,0,0]=4 1247 B11R1.74 CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_200000210301 [0,1,0,0,0,1|2,0,0]=4 1248 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [0,1,0,0,0,1|1,0,0]=3 1249 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [0,1,0,0,0,1|1,0,0]=3 1250 B11R1.74 CC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100009884196 [0,1,0,0,0,1|2,0,0]=4 1251 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [0,1,0,0,0,1|2,0,0]=4 1252 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [0,1,0,0,0,1|1,0,0]=3 1253 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [0,1,0,0,0,1|1,0,0]=3 1254 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [0,1,0,0,0,1|1,0,0]=3 1255 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [0,1,0,0,0,1|1,0,0]=3 1256 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [0,1,0,0,0,1|1,0,0]=3 1257 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [0,1,0,0,0,1|1,0,0]=3 1258 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200025704644 [0,1,0,0,0,1|2,0,0]=4 1259 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [0,1,0,0,0,1|2,0,0]=4 1260 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200025704644 [0,1,0,0,0,1|2,0,0]=4 1261 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [0,1,0,0,0,1|2,0,0]=4 1262 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [0,1,0,0,0,1|2,0,0]=4 1263 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [0,1,0,0,0,1|2,0,0]=4 1264 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [0,1,0,0,0,1|2,0,0]=4 1265 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)F 1458a_100000211655_200025704644 [0,1,0,0,0,1|2,0,0]=4 1266 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [0,1,0,0,0,1|2,0,0]=4 1267 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200025704644 [0,1,0,0,0,1|2,0,0]=4 1268 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [0,1,0,0,0,1|2,0,0]=4 1269 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)F 1458a_100012047268_200025704644 [0,1,0,0,0,1|2,0,0]=4 1270 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)I 1458a_100011204819_200025704644 [0,1,0,0,0,1|2,0,0]=4 1271 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [0,1,0,0,0,1|1,0,1]=4 1272 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [0,1,0,0,0,1|1,0,1]=4 1273 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [0,1,0,0,0,1|2,0,0]=4 1274 B11R1.266 C=C(C)c1cccc(c1)CF 271570a_100000694244_100010878472 [0,1,0,0,0,1|2,0,0]=4 1275 B11R1.266 C=C(C)c1cccc(c1)CN 271570a_100000694244_100000106179 [0,1,0,0,0,1|2,0,0]=4 1276 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [0,1,0,0,0,1|2,0,0]=4 1277 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [0,1,0,0,0,1|2,0,0]=4 1278 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [0,1,0,0,0,1|2,0,0]=4 1279 B11R1.266 C=C(C)c1cccc(c1)SC 271570a_100000694244_100011215954 [0,1,0,0,0,1|2,0,0]=4 1280 B11R1.266 C=C(C)c1cccc(c1)SC 62a_100012123953_200000210301 [0,1,0,0,0,1|2,0,0]=4 1281 B11R1.266 C=C(C)c1cccc(c1)SC 62a_200000210301_100012123953 [0,1,0,0,0,1|2,0,0]=4 1282 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_100012123953_200025704644 [0,1,0,0,0,1|2,0,0]=4 1283 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100012123953 [0,1,0,0,0,1|2,0,0]=4 1284 B11R1.266 C=C(C)c1cccc(n1)CC 271570a_100000694244_100009856026 [0,1,0,0,0,1|2,0,0]=4 1285 B11R1.266 C=C(C)c1cccc(n1)CN 271570a_100000694244_100016990191 [0,1,0,0,0,1|2,0,0]=4 1286 B11R1.266 C=C(C)c1cccc(n1)CO 271570a_100000694244_100000694195 [0,1,0,0,0,1|2,0,0]=4 1287 B11R1.266 C=C(C)c1cccc(n1)NC 271570a_100000694244_100000703281 [0,1,0,0,0,1|2,0,0]=4 1288 B11R1.266 C=C(C)c1cccc(n1)OC 271570a_100000694244_100000760917 [0,1,0,0,0,1|2,0,0]=4 1289 B11R1.266 C=C(C)c1cccc(n1)SC 271570a_100000694244_100011960944 [0,1,0,0,0,1|2,0,0]=4 1290 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [0,1,0,0,0,1|1,0,1]=4 1291 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [0,1,0,0,0,1|1,0,1]=4 1292 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [0,1,0,0,0,1|1,0,1]=4 1293 B11R1.266 C=Cc1cccc(n1)C(=O)C 271570a_100011290941_100009816502 [0,1,0,0,0,1|1,0,1]=4 1294 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,1,0,0,0,1|2,0,0]=4 1295 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,1,0,0,0,1|2,0,0]=4 1296 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [0,1,0,0,0,1|1,0,1]=4 1297 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,1,0,0,0,1|1,0,0]=3 1298 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [0,1,0,0,0,1|1,0,0]=3 1299 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [0,1,0,0,0,1|1,0,0]=3 1300 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [0,1,0,0,0,1|1,0,0]=3 1301 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [0,1,0,0,0,1|1,0,0]=3 1302 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [0,1,0,0,0,1|1,0,0]=3 1303 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [0,1,0,0,0,1|1,0,0]=3 1304 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [0,1,0,0,0,1|2,0,0]=4 1305 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [0,1,0,0,0,1|2,0,0]=4 1306 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_100010643186_200025704644 [0,1,0,0,0,1|2,0,0]=4 1307 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_200025704644_100010643186 [0,1,0,0,0,1|2,0,0]=4 1308 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,1,0,0,0,1|2,0,0]=4 1309 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,1,0,0,0,1|2,0,0]=4 1310 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,1,0,0,0,1|1,0,0]=3 1311 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,1,0,0,0,1|1,0,0]=3 1312 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [0,1,0,0,0,1|2,0,0]=4 1313 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [0,1,0,0,0,1|1,0,0]=3 1314 B11R1.266 CNc1cccc(n1)C(=O)N 27a_100102657272_100011834053 [0,1,0,0,0,1|2,0,0]=4 1315 B11R1.266 CNc1nccc(n1)C(=O)C 27a_100102657272_100010643186 [0,1,0,0,0,1|2,0,0]=4 1316 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [0,1,0,0,0,1|1,0,0]=3 1317 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [0,1,0,0,0,1|1,0,0]=3 1318 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [0,1,0,0,0,1|1,0,0]=3 1319 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [0,1,0,0,0,1|2,0,0]=4 1320 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [0,1,0,0,0,1|2,0,0]=4 1321 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [0,1,0,0,0,1|1,0,0]=3 1322 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [0,1,0,0,0,1|2,0,0]=4 1323 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [0,1,0,0,0,1|2,0,0]=4 1324 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [0,1,0,0,0,1|2,0,0]=4 1325 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [0,1,0,0,0,1|2,0,0]=4 1326 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [0,1,0,0,0,1|1,0,0]=3 1327 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [0,1,0,0,0,1|1,0,0]=3 1328 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [0,1,0,0,0,1|1,0,0]=3 1329 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [0,1,0,0,0,1|2,0,0]=4 1330 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [0,1,0,0,0,1|2,0,0]=4 1331 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [0,1,0,0,0,1|1,0,0]=3 1332 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [0,1,0,0,0,1|2,0,0]=4 1333 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [0,1,0,0,0,1|2,0,0]=4 1334 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [0,1,0,0,0,1|1,0,0]=3 1335 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [0,1,0,0,0,1|1,0,0]=3 1336 B11R1.266 CSc1cccc(n1)C(=O)N 62a_100011834053_200000210301 [0,1,0,0,0,1|2,0,0]=4 1337 B11R1.266 CSc1cccc(n1)C(=O)N 62a_200000210301_100011834053 [0,1,0,0,0,1|2,0,0]=4 1338 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,1,0,0,0,1|2,0,0]=4 1339 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,1,0,0,0,1|2,0,0]=4 1340 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,1,0,0,0,1|2,0,0]=4 1341 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,1,0,0,0,1|2,0,0]=4 1342 B11R1.266 CSc1nccc(n1)C(=O)C 62a_100010643186_200000210301 [0,1,0,0,0,1|2,0,0]=4 1343 B11R1.266 CSc1nccc(n1)C(=O)C 62a_200000210301_100010643186 [0,1,0,0,0,1|2,0,0]=4 1344 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [0,1,0,0,0,1|1,0,1]=4 1345 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,1,0,0,0,1|1,0,0]=3 1346 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [0,1,0,0,0,1|2,0,0]=4 1347 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [0,1,0,0,0,1|2,0,0]=4 1348 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [0,1,0,0,0,1|2,0,0]=4 1349 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [0,1,0,0,0,1|2,0,0]=4 1350 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [0,1,0,0,0,1|2,0,0]=4 1351 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_100011834053_200025704644 [0,1,0,0,0,1|2,0,0]=4 1352 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_200025704644_100011834053 [0,1,0,0,0,1|2,0,0]=4 1353 B11R1.59 CCn1cccc1C(C)NC 269862a_106832991636_100011934003 [0,2,0,0,0,0|1,0,1]=4 1354 B11R1.59 COC(=O)c1[nH]ccc1OC 34a_100000131702_200000210301 [0,2,0,0,0,0|2,0,0]=4 1355 B11R1.59 COC(=O)c1[nH]ccc1O[13CH3] 34a_100000131702_200025704644 [0,2,0,0,0,0|2,0,0]=4 1356 B11R1.59 COC(=O)c1[nH]ccc1SC 62a_200000210301_100102525103 [0,2,0,0,0,0|2,0,0]=4 1357 B11R1.59 COC(=O)c1[nH]ccc1S[13CH3] 62a_200025704644_100102525103 [0,2,0,0,0,0|2,0,0]=4 1358 B11R1.59 COC(=O)c1ccoc1SC 62a_200000210301_100011935261 [0,2,0,0,0,0|2,0,0]=4 1359 B11R1.59 COC(=O)c1ccoc1S[13CH3] 62a_200025704644_100011935261 [0,2,0,0,0,0|2,0,0]=4 1360 B11R1.59 COC(=O)c1ccsc1SC 62a_100009822520_200000210301 [0,2,0,0,0,0|2,0,0]=4 1361 B11R1.59 COC(=O)c1ccsc1SC 62a_200000210301_100009822520 [0,2,0,0,0,0|2,0,0]=4 1362 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_100009822520_200025704644 [0,2,0,0,0,0|2,0,0]=4 1363 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_200025704644_100009822520 [0,2,0,0,0,0|2,0,0]=4 1364 B11R1.59 COC(=O)c1cscc1SC 62a_100012351140_200000210301 [0,2,0,0,0,0|2,0,0]=4 1365 B11R1.59 COC(=O)c1cscc1SC 62a_200000210301_100012351140 [0,2,0,0,0,0|2,0,0]=4 1366 B11R1.59 COC(=O)c1cscc1S[13CH3] 62a_100012351140_200025704644 [0,2,0,0,0,0|2,0,0]=4 1367 B11R1.59 COC(=O)c1cscc1S[13CH3] 62a_200025704644_100012351140 [0,2,0,0,0,0|2,0,0]=4 1368 B11R1.59 COC(=O)c1occc1SC 62a_200000210301_100012676306 [0,2,0,0,0,0|2,0,0]=4 1369 B11R1.59 COC(=O)c1occc1S[13CH3] 62a_200025704644_100012676306 [0,2,0,0,0,0|2,0,0]=4 1370 B11R1.59 COC(=O)c1sccc1OC 7a_100000043449_200000210301 [0,2,0,0,0,0|2,0,0]=4 1371 B11R1.59 COC(=O)c1sccc1O[13CH3] 7a_100000043449_200025704644 [0,2,0,0,0,0|2,0,0]=4 1372 B11R1.59 COC(=O)c1sccc1SC 62a_200000210301_100000730364 [0,2,0,0,0,0|2,0,0]=4 1373 B11R1.59 COC(=O)c1sccc1S[13CH3] 62a_200025704644_100000730364 [0,2,0,0,0,0|2,0,0]=4 1374 B11R1.178 C=C(C)c1ccnn1C(C)C 271570a_100000694244_100010264481 [0,2,0,0,0,0|2,0,0]=4 1375 B11R1.178 C=C(C)c1ccsc1C(=O)C 271570a_100000694244_100000738688 [0,2,0,0,0,0|2,0,0]=4 1376 B11R1.178 C=C(C)c1cncn1C(C)C 271570a_100000694244_100009849687 [0,2,0,0,0,0|2,0,0]=4 1377 B11R1.178 C=C(C)c1nccn1C(C)C 271570a_100000694244_100009820211 [0,2,0,0,0,0|2,0,0]=4 1378 B11R1.178 CC(=O)c1sccc1C(F)F 1458a_100009926068_200000210301 [0,2,0,0,0,0|2,0,0]=4 1379 B11R1.178 [13CH3]C(=O)c1sccc1C(F)F 1458a_100009926068_200025704644 [0,2,0,0,0,0|2,0,0]=4 1380 B11R1.193 CC(=O)c1sccc1SCF 62a_100000738688_100015361967 [0,2,0,0,0,0|2,0,0]=4 1381 B11R1.193 CC=Cc1ccsc1C(=O)C 271570a_100016259895_100000738688 [0,2,0,0,0,0|2,0,0]=4 1382 B11R1.193 CCSc1ccsc1C(=O)C 62a_100000738688_100000210202 [0,2,0,0,0,0|2,0,0]=4 1383 B11R1.471 C=C(C)c1c(cnn1C)C#N 271570a_100000694244_100000702867 [0,2,0,0,0,0|2,0,0]=4 1384 B11R1.471 C=C(C)c1c(cnn1C)CO 271570a_100000694244_100011063722 [0,2,0,0,0,0|2,0,0]=4 1385 B11R1.471 C=Cc1cnn(c1C(=O)C)C 271570a_100011290941_100012349272 [0,2,0,0,0,0|1,0,0]=3 1386 B11R1.471 C=Cc1cnn(c1C(=O)N)C 271570a_100011290941_100010776205 [0,2,0,0,0,0|2,0,0]=4 1387 B11R1.471 CC(=O)c1c(cnn1C)S[13CH3] 62a_100012349272_200025704644 [0,2,0,0,0,0|1,0,0]=3 1388 B11R1.471 CC(=O)c1c(cnn1C)S[13CH3] 62a_200025704644_100012349272 [0,2,0,0,0,0|1,0,0]=3 1389 B11R1.471 CSc1cnn(c1C(=O)C)C 62a_100012349272_200000210301 [0,2,0,0,0,0|1,0,0]=3 1390 B11R1.471 CSc1cnn(c1C(=O)C)C 62a_200000210301_100012349272 [0,2,0,0,0,0|1,0,0]=3 1391 B11R1.471 CSc1cnn(c1C(=O)N)C 62a_100010776205_200000210301 [0,2,0,0,0,0|2,0,0]=4 1392 B11R1.471 CSc1cnn(c1C(=O)N)C 62a_200000210301_100010776205 [0,2,0,0,0,0|2,0,0]=4 1393 B11R1.471 Cn1ncc(c1C(=O)N)S[13CH3] 62a_100010776205_200025704644 [0,2,0,0,0,0|2,0,0]=4 1394 B11R1.471 Cn1ncc(c1C(=O)N)S[13CH3] 62a_200025704644_100010776205 [0,2,0,0,0,0|2,0,0]=4 1395 B11R1.225 COC(=O)c1cc(cn1C)O 271570a_203496583355_100000240937 [0,2,0,0,0,0|0,0,0]=2 1396 B11R1.225 COC(=O)c1cc(nn1C)O 271570a_203496583355_100014069049 [0,2,0,0,0,0|1,0,0]=3 1397 B11R1.225 COC(=O)c1cc(sc1C)O 271570a_203496583355_100010187159 [0,2,0,0,0,0|2,0,0]=4 1398 B11R1.225 COC(=O)c1nc(cn1C)O 271570a_203496583355_100010173829 [0,2,0,0,0,0|1,0,0]=3 1399 B11R1.225 COC(=O)c1oc(cc1C)O 271570a_203496583355_100000737583 [0,2,0,0,0,0|2,0,0]=4 1400 B11R1.137 CNS(=O)(=O)c1ccnn1C 270084a_100102657272_100000750881 [0,2,0,0,0,0|2,0,0]=4 1401 B11R1.137 CNS(=O)(=O)c1ccnn1C 274078a_100102657272_100000750881 [0,2,0,0,0,0|2,0,0]=4 1402 B11R1.199 CCNC(C)c1cccn1C 269862a_100015525214_100000709046 [0,2,0,0,0,0|1,0,1]=4 1403 B11R1.199 CNCC(=O)c1cccn1C 2230a_106832991635_200011262399 [0,2,0,0,0,0|0,0,0]=2 1404 B11R1.199 CNCC(=O)c1cccn1C 34a_100102657272_200011262399 [0,2,0,0,0,0|0,0,0]=2 1405 B11R1.199 CNCC(=O)c1cccn1C 7a_106832991635_200011262399 [0,2,0,0,0,0|0,0,0]=2 1406 B11R1.199 CNCC(=O)c1nccn1C 34a_100102657272_100010243886 [0,2,0,0,0,0|1,0,0]=3 1407 B11R1.199 CNCC(=O)c1nccn1C 7a_106832991635_100010243886 [0,2,0,0,0,0|1,0,0]=3 1408 B11R1.199 COCC(=O)c1cccn1C 34a_100138415774_200011262399 [0,2,0,0,0,0|0,0,0]=2 1409 B11R1.199 COCC(=O)c1nccn1C 34a_100138415774_100010243886 [0,2,0,0,0,0|1,0,0]=3 1410 B11R1.199 CSCC(=O)c1cccn1C 62a_200000210301_200011262399 [0,2,0,0,0,0|0,0,0]=2 1411 B11R1.199 CSCC(=O)c1cccn1C 62a_200011262399_200000210301 [0,2,0,0,0,0|0,0,0]=2 1412 B11R1.199 CSCC(=O)c1nccn1C 62a_100010243886_200000210301 [0,2,0,0,0,0|1,0,0]=3 1413 B11R1.199 CSCC(=O)c1nccn1C 62a_200000210301_100010243886 [0,2,0,0,0,0|1,0,0]=3 1414 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200011262399_200025704644 [0,2,0,0,0,0|0,0,0]=2 1415 B11R1.199 Cn1cccc1C(=O)CS[13CH3] 62a_200025704644_200011262399 [0,2,0,0,0,0|0,0,0]=2 1416 B11R1.199 Cn1ccnc1C(=O)CS[13CH3] 62a_100010243886_200025704644 [0,2,0,0,0,0|1,0,0]=3 1417 B11R1.199 Cn1ccnc1C(=O)CS[13CH3] 62a_200025704644_100010243886 [0,2,0,0,0,0|1,0,0]=3 1418 B11R1.865 COC(=O)c1ccc(n1C)O 271570a_203496583355_100010124797 [0,2,0,0,0,0|0,0,0]=2 1419 B11R1.865 COC(=O)c1cnc(n1C)O 271570a_203496583355_100009816624 [0,2,0,0,0,0|1,0,0]=3 1420 B11R1.865 COC(=O)c1scc(c1C)O 271570a_203496583355_100010184805 [0,2,0,0,0,0|2,0,0]=4 1421 B11R1.875 COC(=O)c1c(cnn1C)O 271570a_203496583355_100010000105 [0,2,0,0,0,0|1,0,0]=3 1422 B11R1.473 C=C(C)c1cnc(n1C)C=O 271570a_100000694244_200009816901 [0,2,0,0,0,0|2,0,0]=4 1423 B11R1.473 C=C(C)c1cnc(n1C)CO 271570a_100000694244_100009817024 [0,2,0,0,0,0|2,0,0]=4 1424 B11R1.473 C=Cc1[nH]cc(c1C)C(=O)C 271570a_100011290941_200010235672 [0,2,0,0,0,0|2,0,0]=4 1425 B11R1.473 CC(=O)c1c[nH]c(c1C)S[13CH3] 62a_200010235672_200025704644 [0,2,0,0,0,0|2,0,0]=4 1426 B11R1.473 CC(=O)c1c[nH]c(c1C)S[13CH3] 62a_200025704644_200010235672 [0,2,0,0,0,0|2,0,0]=4 1427 B11R1.473 CSc1[nH]cc(c1C)C(=O)C 62a_200000210301_200010235672 [0,2,0,0,0,0|2,0,0]=4 1428 B11R1.473 CSc1[nH]cc(c1C)C(=O)C 62a_200010235672_200000210301 [0,2,0,0,0,0|2,0,0]=4 1429 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,1,1,0,0|0,0,2]=4 1430 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,1,1,0,0|1,0,1]=4 1431 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,1,1,0,0|0,0,2]=4 1432 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,1,1,0,0|1,0,1]=4 1433 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [0,0,1,1,0,0|1,0,1]=4 1434 B9R1.2 CNc1cc[nH]c(=O)n1 27a_100102657272_200000134032 [0,0,1,1,0,0|2,0,0]=4 1435 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [0,0,1,1,0,0|1,0,1]=4 1436 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [0,0,1,1,0,0|1,0,0]=3 1437 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [0,0,1,1,0,0|1,0,0]=3 1438 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [0,0,1,1,0,0|1,0,1]=4 1439 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [0,0,1,1,0,0|1,0,1]=4 1440 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [0,0,1,1,0,0|1,0,1]=4 1441 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [0,0,1,1,0,0|0,0,2]=4 1442 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [0,0,1,1,0,0|0,0,2]=4 1443 B9R1.2 CNc1cccc(n1)F 27a_100102657272_100009815982 [0,0,1,1,0,0|2,0,0]=4 1444 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [0,0,1,1,0,0|1,0,1]=4 1445 B9R1.2 CNc1ccnc(c1)C 27a_100102657272_100000758586 [0,0,1,1,0,0|2,0,0]=4 1446 B9R1.2 CNc1ccnc(n1)C 27a_100102657272_100000749937 [0,0,1,1,0,0|2,0,0]=4 1447 B9R1.2 CNc1cncc(n1)C 27a_100102657272_100000754123 [0,0,1,1,0,0|2,0,0]=4 1448 B9R1.2 CNc1nccc(n1)C 27a_100102657272_100000750684 [0,0,1,1,0,0|2,0,0]=4 1449 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [0,0,1,1,0,0|2,0,0]=4 1450 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [0,0,1,1,0,0|2,0,0]=4 1451 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [0,0,1,1,0,0|2,0,0]=4 1452 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [0,0,1,1,0,0|2,0,0]=4 1453 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [0,0,1,1,0,0|2,0,0]=4 1454 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [0,0,1,1,0,0|2,0,0]=4 1455 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [0,0,1,1,0,0|2,0,0]=4 1456 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [0,0,1,1,0,0|2,0,0]=4 1457 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [0,0,1,1,0,0|1,0,0]=3 1458 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [0,0,1,1,0,0|1,0,0]=3 1459 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [0,0,1,1,0,0|2,0,0]=4 1460 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [0,0,1,1,0,0|2,0,0]=4 1461 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [0,0,1,1,0,0|2,0,0]=4 1462 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [0,0,1,1,0,0|2,0,0]=4 1463 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [0,0,1,1,0,0|2,0,0]=4 1464 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [0,0,1,1,0,0|2,0,0]=4 1465 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [0,0,1,1,0,0|1,0,1]=4 1466 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [0,0,1,1,0,0|1,0,1]=4 1467 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [0,0,1,1,0,0|1,0,1]=4 1468 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [0,0,1,1,0,0|1,0,1]=4 1469 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [0,0,1,1,0,0|0,0,2]=4 1470 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [0,0,1,1,0,0|2,0,0]=4 1471 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [0,0,1,1,0,0|2,0,0]=4 1472 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,1,1,0,0|1,0,1]=4 1473 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,1,1,0,0|1,0,1]=4 1474 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [0,0,1,1,0,0|1,0,1]=4 1475 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [0,0,1,1,0,0|1,0,0]=3 1476 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [0,0,1,1,0,0|1,0,1]=4 1477 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [0,0,1,1,0,0|1,0,1]=4 1478 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [0,0,1,1,0,0|1,0,1]=4 1479 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [0,0,1,1,0,0|0,0,2]=4 1480 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [0,0,1,1,0,0|0,0,2]=4 1481 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [0,0,1,1,0,0|1,0,1]=4 1482 B9R1.15 CNc1ccn[nH]c1=O 27a_100102657272_100000087129 [0,0,1,1,0,0|2,0,0]=4 1483 B9R1.15 CNc1ccncc1C 27a_100102657272_100000765111 [0,0,1,1,0,0|2,0,0]=4 1484 B9R1.15 CNc1nccnc1C 27a_100102657272_100011999405 [0,0,1,1,0,0|2,0,0]=4 1485 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [0,0,1,1,0,0|2,0,0]=4 1486 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [0,0,1,1,0,0|2,0,0]=4 1487 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [0,0,1,1,0,0|2,0,0]=4 1488 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [0,0,1,1,0,0|2,0,0]=4 1489 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [0,0,1,1,0,0|2,0,0]=4 1490 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [0,0,1,1,0,0|2,0,0]=4 1491 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [0,0,1,1,0,0|2,0,0]=4 1492 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [0,0,1,1,0,0|2,0,0]=4 1493 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [0,0,1,1,0,0|2,0,0]=4 1494 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [0,0,1,1,0,0|2,0,0]=4 1495 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [0,0,1,1,0,0|1,0,0]=3 1496 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [0,0,1,1,0,0|2,0,0]=4 1497 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [0,0,1,1,0,0|2,0,0]=4 1498 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [0,0,1,1,0,0|2,0,0]=4 1499 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [0,0,1,1,0,0|2,0,0]=4 1500 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [0,0,1,1,0,0|2,0,0]=4 1501 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [0,0,1,1,0,0|2,0,0]=4 1502 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [0,0,1,1,0,0|2,0,0]=4 1503 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [0,0,1,1,0,0|2,0,0]=4 1504 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [0,0,1,1,0,0|1,0,1]=4 1505 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [0,0,1,1,0,0|1,0,1]=4 1506 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [0,0,1,1,0,0|1,0,1]=4 1507 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [0,0,1,1,0,0|1,0,1]=4 1508 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [0,0,1,1,0,0|0,0,2]=4 1509 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [0,0,1,1,0,0|2,0,0]=4 1510 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [0,0,1,1,0,0|2,0,0]=4 1511 B11R1.86 CC(=Cc1cccc[n+]1C)C 271570a_100102525489_100000212160 [0,0,0,0,0,2|1,0,1]=4 1512 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,0,0,0,0,2|2,0,0]=4 1513 B11R1.86 CC(=Cc1cccnc1C)C 271570a_100102525489_100000751574 [0,0,0,0,0,2|2,0,0]=4 1514 B11R1.86 CC(=Cc1ccncc1C)C 271570a_100102525489_100015191297 [0,0,0,0,0,2|2,0,0]=4 1515 B11R1.86 CC(=Cc1cnccc1C)C 271570a_100102525489_100000761580 [0,0,0,0,0,2|2,0,0]=4 1516 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [0,0,0,0,0,2|2,0,0]=4 1517 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,0,0,0,0,2|2,0,0]=4 1518 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,0,0,0,0,2|2,0,0]=4 1519 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,0,0,0,0,2|1,0,0]=3 1520 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,0,0,0,0,2|1,0,0]=3 1521 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,0,0,0,0,2|2,0,0]=4 1522 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,0,0,0,0,2|2,0,0]=4 1523 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,0,0,0,0,2|2,0,0]=4 1524 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,0,0,0,0,2|2,0,0]=4 1525 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,0,0,0,0,2|2,0,0]=4 1526 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,0,0,0,0,2|2,0,0]=4 1527 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,0,0,0,0,2|2,0,0]=4 1528 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,0,0,0,0,2|2,0,0]=4 1529 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,0,0,0,0,2|2,0,0]=4 1530 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,0,0,0,0,2|1,0,0]=3 1531 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,0,0,0,0,2|2,0,0]=4 1532 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,0,0,0,0,2|2,0,0]=4 1533 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,0,0,0,0,2|2,0,0]=4 1534 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [0,0,0,0,0,2|1,0,0]=3 1535 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [0,0,0,0,0,2|2,0,0]=4 1536 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,0,0,0,0,2|1,0,0]=3 1537 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,0,0,0,0,2|2,0,0]=4 1538 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,0,0,0,0,2|2,0,0]=4 1539 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,0,0,0,0,2|1,0,0]=3 1540 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,0,0,0,0,2|1,0,0]=3 1541 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,0,0,0,0,2|2,0,0]=4 1542 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,0,0,0,0,2|2,0,0]=4 1543 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,0,0,0,0,2|2,0,0]=4 1544 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,0,0,0,0,2|2,0,0]=4 1545 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,0,0,0,0,2|2,0,0]=4 1546 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,0,0,0,0,2|2,0,0]=4 1547 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,0,0,0,0,2|1,0,0]=3 1548 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,0,0,0,0,2|1,0,0]=3 1549 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,0,0,0,0,2|1,0,0]=3 1550 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,0,0,0,0,2|1,0,0]=3 1551 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,0,0,0,0,2|2,0,0]=4 1552 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,0,0,0,0,2|2,0,0]=4 1553 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,0,0,0,0,2|2,0,0]=4 1554 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,0,0,0,0,2|2,0,0]=4 1555 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,0,0,0,0,2|2,0,0]=4 1556 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,0,0,0,0,2|2,0,0]=4 1557 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,0,0,0,0,2|2,0,0]=4 1558 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,0,0,0,0,2|2,0,0]=4 1559 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,0,0,0,0,2|2,0,0]=4 1560 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,0,0,0,0,2|2,0,0]=4 1561 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,0,0,0,0,2|2,0,0]=4 1562 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,0,0,0,0,2|2,0,0]=4 1563 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,0,0,0,0,2|2,0,0]=4 1564 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [0,0,0,0,0,2|2,0,0]=4 1565 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,0,0,0,0,2|2,0,0]=4 1566 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,0,0,0,0,2|2,0,0]=4 1567 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,0,0,0,0,2|1,0,0]=3 1568 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,0,0,0,0,2|1,0,0]=3 1569 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,0,0,0,0,2|2,0,0]=4 1570 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,0,0,0,0,2|2,0,0]=4 1571 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,0,0,0,0,2|2,0,0]=4 1572 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,0,0,0,0,2|2,0,0]=4 1573 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,0,0,0,0,2|2,0,0]=4 1574 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,0,0,0,0,2|2,0,0]=4 1575 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,0,0,0,0,2|2,0,0]=4 1576 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,0,0,0,0,2|2,0,0]=4 1577 B11R1.90 C=C(C)COc1ccnn1C 34a_100020632926_100000748629 [0,0,0,0,0,2|2,0,0]=4 1578 B11R1.90 C=C(C)CSc1ccnn1C 62a_100000688441_100000211660 [0,0,0,0,0,2|2,0,0]=4 1579 B11R1.90 C=C(C)CSc1ccnn1C 62a_100000748629_100000688441 [0,0,0,0,0,2|2,0,0]=4 1580 B11R1.90 C=C(C)CSc1cncn1C 62a_100000748629_100009814087 [0,0,0,0,0,2|2,0,0]=4 1581 B11R1.90 C=C(C)CSc1cncn1C 62a_100009814087_100000211660 [0,0,0,0,0,2|2,0,0]=4 1582 B11R1.90 C=C(C)CSc1nccn1C 62a_100000707724_100000211660 [0,0,0,0,0,2|2,0,0]=4 1583 B11R1.90 C=C(C)CSc1nccn1C 62a_100000748629_100000707724 [0,0,0,0,0,2|2,0,0]=4 1584 B11R1.90 CC(=O)C=Cc1ccnn1C 1458a_100102528386_200000210301 [0,0,0,0,0,2|1,0,0]=3 1585 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,0,0,0,0,2|2,0,0]=4 1586 B11R1.90 CC(=O)CCc1ccnn1C 1458a_100000763893_200000210301 [0,0,0,0,0,2|1,0,0]=3 1587 B11R1.90 CC(=O)CCc1nccn1C 1458a_200011261795_200000210301 [0,0,0,0,0,2|1,0,0]=3 1588 B11R1.90 CC(=O)CSc1nncn1C 1458a_100000178178_200000210301 [0,0,0,0,0,2|2,0,0]=4 1589 B11R1.90 CC(=O)NCc1cccn1C 11a_100011219357_100015343762 [0,0,0,0,0,2|0,0,0]=2 1590 B11R1.90 CC(=O)NCc1cccn1C 1626a_100011219357_100015343762 [0,0,0,0,0,2|0,0,0]=2 1591 B11R1.90 CC(=O)NCc1cccn1C 240690a_100011219357_100015343762 [0,0,0,0,0,2|0,0,0]=2 1592 B11R1.90 CC(=O)NCc1cccn1C 527a_100011219357_100103153847 [0,0,0,0,0,2|0,0,0]=2 1593 B11R1.90 CC(=O)NCc1ccnn1C 11a_100025706696_100015343762 [0,0,0,0,0,2|1,0,0]=3 1594 B11R1.90 CC(=O)NCc1ccnn1C 240690a_100025706696_100015343762 [0,0,0,0,0,2|1,0,0]=3 1595 B11R1.90 CC(=O)NCc1ccnn1C 527a_100025706696_100103153847 [0,0,0,0,0,2|1,0,0]=3 1596 B11R1.90 CC(=O)NCc1cncn1C 11a_100000732891_100015343762 [0,0,0,0,0,2|1,0,0]=3 1597 B11R1.90 CC(=O)NCc1cncn1C 240690a_100000732891_100015343762 [0,0,0,0,0,2|1,0,0]=3 1598 B11R1.90 CC(=O)NCc1cncn1C 527a_100000732891_100103153847 [0,0,0,0,0,2|1,0,0]=3 1599 B11R1.90 CC(=O)NCc1nccn1C 11a_100015186572_100015343762 [0,0,0,0,0,2|1,0,0]=3 1600 B11R1.90 CC(=O)NCc1nccn1C 240690a_100015186572_100015343762 [0,0,0,0,0,2|1,0,0]=3 1601 B11R1.90 CC(=O)NCc1nccn1C 527a_100015186572_100103153847 [0,0,0,0,0,2|1,0,0]=3 1602 B11R1.90 CC(=O)NCc1sccc1C 11a_100000238519_100015343762 [0,0,0,0,0,2|2,0,0]=4 1603 B11R1.90 CC(=O)NCc1sccc1C 1626a_100000238519_100015343762 [0,0,0,0,0,2|2,0,0]=4 1604 B11R1.90 CC(=O)NCc1sccc1C 240690a_100000238519_100015343762 [0,0,0,0,0,2|2,0,0]=4 1605 B11R1.90 CC(=O)NCc1sccc1C 527a_100000238519_100103153847 [0,0,0,0,0,2|2,0,0]=4 1606 B11R1.90 CC(C)NCc1cccn1C 34a_100011219357_100000210206 [0,0,0,0,0,2|1,0,1]=4 1607 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,0,0,0,0,2|2,0,0]=4 1608 B11R1.90 Cn1ccnc1CCC(=O)[13CH3] 1458a_200011261795_200025704644 [0,0,0,0,0,2|1,0,0]=3 1609 B11R1.90 Cn1ccnc1SCC(=O)N 62a_100000707724_100000747473 [0,0,0,0,0,2|2,0,0]=4 1610 B11R1.90 Cn1ccnc1SCC(=O)N 62a_100000747473_100000707724 [0,0,0,0,0,2|2,0,0]=4 1611 B11R1.90 Cn1ccnc1SCC(=O)[O-] 62a_100000707724_100020667443 [0,0,0,0,0,2|2,0,0]=4 1612 B11R1.90 Cn1ccnc1SCC(=O)[O-] 62a_100020667443_100000707724 [0,0,0,0,0,2|2,0,0]=4 1613 B11R1.90 Cn1cncc1SCC(=O)N 62a_100000747473_100009814087 [0,0,0,0,0,2|2,0,0]=4 1614 B11R1.90 Cn1cncc1SCC(=O)N 62a_100009814087_100000747473 [0,0,0,0,0,2|2,0,0]=4 1615 B11R1.90 Cn1cncc1SCC(=O)[O-] 62a_100009814087_100020667443 [0,0,0,0,0,2|2,0,0]=4 1616 B11R1.90 Cn1cncc1SCC(=O)[O-] 62a_100020667443_100009814087 [0,0,0,0,0,2|2,0,0]=4 1617 B11R1.90 Cn1cnnc1SCC(=O)[13CH3] 1458a_100000178178_200025704644 [0,0,0,0,0,2|2,0,0]=4 1618 B11R1.90 Cn1nccc1C=CC(=O)[13CH3] 1458a_100102528386_200025704644 [0,0,0,0,0,2|1,0,0]=3 1619 B11R1.90 Cn1nccc1CCC(=O)[13CH3] 1458a_100000763893_200025704644 [0,0,0,0,0,2|1,0,0]=3 1620 B11R1.90 Cn1nccc1OCC(=O)N 34a_100020632926_100000187820 [0,0,0,0,0,2|2,0,0]=4 1621 B11R1.90 Cn1nccc1OCC(=O)[O-] 34a_100020632926_100020667443 [0,0,0,0,0,2|2,0,0]=4 1622 B11R1.90 Cn1nccc1SCC(=O)N 62a_100000688441_100000747473 [0,0,0,0,0,2|2,0,0]=4 1623 B11R1.90 Cn1nccc1SCC(=O)N 62a_100000747473_100000688441 [0,0,0,0,0,2|2,0,0]=4 1624 B11R1.90 Cn1nccc1SCC(=O)[O-] 62a_100000688441_100020667443 [0,0,0,0,0,2|2,0,0]=4 1625 B11R1.90 Cn1nccc1SCC(=O)[O-] 62a_100020667443_100000688441 [0,0,0,0,0,2|2,0,0]=4 1626 B11R1.157 CC(=Cc1ccc[n+](c1)C)C 271570a_100102525489_100009996589 [0,0,0,0,0,2|1,0,1]=4 1627 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [0,0,0,0,0,2|2,0,0]=4 1628 B11R1.157 CC(=Cc1cccc(n1)C)C 271570a_100102525489_100000742759 [0,0,0,0,0,2|2,0,0]=4 1629 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,0,0,0,0,2|2,0,0]=4 1630 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,0,0,0,0,2|2,0,0]=4 1631 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,0,0,0,0,2|2,0,0]=4 1632 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,0,0,0,0,2|1,0,0]=3 1633 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,0,0,0,0,2|1,0,0]=3 1634 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,0,0,0,0,2|2,0,0]=4 1635 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,0,0,0,0,2|2,0,0]=4 1636 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,0,0,0,0,2|2,0,0]=4 1637 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,0,0,0,0,2|2,0,0]=4 1638 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,0,0,0,0,2|2,0,0]=4 1639 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,0,0,0,0,2|2,0,0]=4 1640 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,0,0,0,0,2|2,0,0]=4 1641 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,0,0,0,0,2|2,0,0]=4 1642 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,0,0,0,0,2|2,0,0]=4 1643 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,0,0,0,0,2|2,0,0]=4 1644 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,0,0,0,0,2|2,0,0]=4 1645 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,0,0,0,0,2|1,0,0]=3 1646 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,0,0,0,0,2|1,0,0]=3 1647 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,0,0,0,0,2|2,0,0]=4 1648 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,0,0,0,0,2|2,0,0]=4 1649 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,0,0,0,0,2|2,0,0]=4 1650 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,0,0,0,0,2|2,0,0]=4 1651 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [0,0,0,0,0,2|2,0,0]=4 1652 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,0,0,0,0,2|2,0,0]=4 1653 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,0,0,0,0,2|2,0,0]=4 1654 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,0,0,0,0,2|2,0,0]=4 1655 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,0,0,0,0,2|2,0,0]=4 1656 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,0,0,0,0,2|2,0,0]=4 1657 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,0,0,0,0,2|1,0,0]=3 1658 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,0,0,0,0,2|1,0,0]=3 1659 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,0,0,0,0,2|1,0,0]=3 1660 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,0,0,0,0,2|1,0,0]=3 1661 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,0,0,0,0,2|2,0,0]=4 1662 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,0,0,0,0,2|2,0,0]=4 1663 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,0,0,0,0,2|2,0,0]=4 1664 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,0,0,0,0,2|2,0,0]=4 1665 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,0,0,0,0,2|2,0,0]=4 1666 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,0,0,0,0,2|2,0,0]=4 1667 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,0,0,0,0,2|2,0,0]=4 1668 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,0,0,0,0,2|2,0,0]=4 1669 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,0,0,0,0,2|2,0,0]=4 1670 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,0,0,0,0,2|2,0,0]=4 1671 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,0,0,0,0,2|2,0,0]=4 1672 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,0,0,0,0,2|2,0,0]=4 1673 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,0,0,0,0,2|2,0,0]=4 1674 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,0,0,0,0,2|2,0,0]=4 1675 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,0,0,0,0,2|2,0,0]=4 1676 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,0,0,0,0,2|2,0,0]=4 1677 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,0,0,0,0,2|2,0,0]=4 1678 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,0,0,0,0,2|1,0,0]=3 1679 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,0,0,0,0,2|1,0,0]=3 1680 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,0,0,0,0,2|2,0,0]=4 1681 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,0,0,0,0,2|2,0,0]=4 1682 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,0,0,0,0,2|2,0,0]=4 1683 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,0,0,0,0,2|2,0,0]=4 1684 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,0,0,0,0,2|2,0,0]=4 1685 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,0,0,0,0,2|2,0,0]=4 1686 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,0,0,0,0,2|2,0,0]=4 1687 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,0,0,0,0,2|2,0,0]=4