0 B13R2.3683 BrC1=CC2=CC=C(I)C=C2N=C1 35122 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.3683 BrC1=CC=C2N=C(Br)C=NC2=C1 18458 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.3683 BrC1=CC=C2N=C(I)N=CC2=C1 33957 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.3683 BrC1=CN=C2N=C(Br)C=CC2=C1 18420 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 33548 [0,0,0,0,0,0|1,0,1]=2 5 B13R2.3683 CC1=CC=C2CC(=O)CCC2=C1 26065 [0,0,0,0,0,0|1,0,2]=3 6 B13R2.3683 CC1=CC=C2N=C(C)C=CC2=C1 5876 [0,0,0,0,0,0|2,0,0]=2 7 B13R2.3683 CC1=CC=C2N=C(Cl)C=CC2=C1 13893 [0,0,0,0,0,0|2,0,0]=2 8 B13R2.3683 CC1=CC=C2N=C(Cl)C=NC2=C1 20636 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 9755 [0,0,0,0,0,0|0,0,0]=0 10 B13R2.3683 CC1=CN=C2N=C(C)C=CC2=C1 27323 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 5882 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 7579 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.3683 ClC1=CC2=CC=C(Br)C=C2N=C1 21575 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.3683 ClC1=CC=C2C=C(Br)C=NC2=C1 21567 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.3683 ClC1=CC=C2N=C(Br)C=CC2=C1 25737 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.3683 ClC1=CC=C2N=C(Cl)C=CC2=N1 34608 [0,0,0,0,0,0|4,0,0]=4 17 B13R2.3683 ClC1=CC=C2N=C(Cl)C=NC2=C1 7583 [0,0,0,0,0,0|4,0,0]=4 18 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 14631 [0,0,0,0,0,0|3,0,0]=3 19 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=N1 14677 [0,0,0,0,0,0|4,0,0]=4 20 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2N=C1 14628 [0,0,0,0,0,0|4,0,0]=4 21 B13R2.3683 ClC1=NC2=CC=C(I)C=C2C=C1 14689 [0,0,0,0,0,0|3,0,0]=3 22 B13R2.3683 ClC1=NC2=NC=C(Br)C=C2C=C1 18342 [0,0,0,0,0,0|4,0,0]=4 23 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=C1 12551 [0,0,0,0,0,0|3,0,0]=3 24 B13R2.3683 FC1=CC=C2N=C(Cl)N=CC2=C1 14302 [0,0,0,0,0,0|4,0,0]=4 25 B13R2.3683 NC1=CC2=CC=C(Cl)C=C2N=C1 21568 [0,0,0,0,0,0|4,0,0]=4 26 B13R2.3683 NC1=CC2=CC=C(F)C=C2C=C1 27846 [0,0,0,0,0,0|3,0,0]=3 27 B13R2.3683 NC1=CC=C2NC(=O)C=CC2=C1 27592 [0,0,0,0,0,0|2,0,0]=2 28 B13R2.3683 NC1=CC=C2NC(=O)C=NC2=C1 34827 [0,0,0,0,0,0|3,0,0]=3 29 B13R2.3683 NC1=NC2=CC=C(Br)C=C2C=N1 16392 [0,0,0,0,0,0|4,0,0]=4 30 B13R2.3683 NC1=NC2=CC=C(Cl)C=C2C=N1 17841 [0,0,0,0,0,0|4,0,0]=4 31 B13R2.3683 NC1=NC2=CC=C(F)C=C2C=N1 14303 [0,0,0,0,0,0|4,0,0]=4 32 B13R2.3683 NC1=NC2=NC=C(Br)C=C2C=C1 20941 [0,0,0,0,0,0|4,0,0]=4 33 B13R2.3683 NC1=NC2=NC=C(Cl)C=C2C=C1 20940 [0,0,0,0,0,0|4,0,0]=4 34 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2N1 17808 [0,0,0,0,0,0|2,0,0]=2 35 B13R2.3683 O=C1C=CC2=CC(Cl)=CC=C2N1 25736 [0,0,0,0,0,0|2,0,0]=2 36 B13R2.3683 O=C1C=CC2=CC(F)=CC=C2N1 26337 [0,0,0,0,0,0|2,0,0]=2 37 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2O1 11099 [0,0,0,0,0,0|1,0,0]=1 38 B13R2.3683 O=C1C=NC2=CC(Br)=CC=C2N1 18436 [0,0,0,0,0,0|3,0,0]=3 39 B13R2.3683 O=C1C=NC2=CC(Cl)=CC=C2N1 18351 [0,0,0,0,0,0|3,0,0]=3 40 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2C1 16126 [0,0,0,0,0,0|2,0,2]=4 41 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 17577 [0,0,0,0,0,0|1,0,2]=3 42 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 34522 [0,0,0,0,0,0|1,0,2]=3 43 B13R2.3683 O=C1CCC2=CC(Cl)=CC=C2C1 17950 [0,0,0,0,0,0|2,0,2]=4 44 B13R2.3683 O=C1CCC2=CC(F)=CC=C2C1 17949 [0,0,0,0,0,0|2,0,2]=4 45 B13R2.3683 O=C1CCC2=CC(F)=CC=C2N1 27931 [0,0,0,0,0,0|2,0,2]=4 46 B13R2.3683 O=C1CCC2=CC(I)=CC=C2C1 17952 [0,0,0,0,0,0|2,0,2]=4 47 B13R2.3683 O=C1CCc2cc(O)ccc2N1 5863 [0,0,0,0,0,0|2,0,2]=4 48 B13R2.3683 O=C1COC2=C(C=CC(Br)=C2)N1 27579 [0,0,0,0,0,0|3,0,1]=4 49 B13R2.3683 O=C1COC2=C(C=CC(F)=C2)N1 27740 [0,0,0,0,0,0|3,0,1]=4 50 B13R2.3683 O=C1COC2=C(C=CC(O)=C2)N1 27734 [0,0,0,0,0,0|3,0,1]=4 51 B13R2.3683 O=C1COC2=CC(Br)=CC=C2C1 18376 [0,0,0,0,0,0|3,0,1]=4 52 B13R2.3683 O=C1COC2=CC(Cl)=CC=C2C1 18375 [0,0,0,0,0,0|3,0,1]=4 53 B13R2.3683 O=C1COC2=CC(F)=CC=C2C1 18374 [0,0,0,0,0,0|3,0,1]=4 54 B13R2.3683 O=C1N=CC2=CC(Br)=CC=C2N1 35223 [0,0,0,0,0,0|3,0,0]=3 55 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CO1 29214 [0,0,0,0,0,0|3,0,1]=4 56 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 2170 [0,0,0,0,0,0|2,0,1]=3 57 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 27928 [0,0,0,0,0,0|2,0,1]=3 58 B13R2.3683 OC1=CC2=CC=C(F)C=C2C=C1 27847 [0,0,0,0,0,0|2,0,1]=3 59 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 9426 [1,0,0,0,0,0|2,0,0]=3 60 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 20629 [1,0,0,0,0,0|3,0,0]=4 61 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 5814 [1,0,0,0,0,0|3,0,0]=4 62 B12R2.24 BrC1=CC2=CC=CN=C2N=C1 33544 [1,0,0,0,0,0|3,0,0]=4 63 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 12788 [1,0,0,0,0,0|3,0,0]=4 64 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 12736 [1,0,0,0,0,0|3,0,0]=4 65 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 17031 [1,0,0,0,0,0|3,0,0]=4 66 B12R2.24 BrC1=CC=C2CCC=CC2=C1 25683 [1,0,0,0,0,0|2,0,1]=4 67 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 2374 [1,0,0,0,0,0|2,0,0]=3 68 B12R2.24 BrC1=CC=C2N=CN=CC2=C1 14663 [1,0,0,0,0,0|3,0,0]=4 69 B12R2.24 BrC1=CC=C2N=NC=CC2=C1 15884 [1,0,0,0,0,0|3,0,0]=4 70 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 21827 [1,0,0,0,0,0|2,0,0]=3 71 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 25764 [1,0,0,0,0,0|3,0,0]=4 72 B12R2.24 BrC1=NC2=NC=CC=C2C=C1 18424 [1,0,0,0,0,0|3,0,0]=4 73 B12R2.24 CC1=CC2=CC=CC=C2N=C1 2344 [1,0,0,0,0,0|2,0,0]=3 74 B12R2.24 CC1=CC=C2C=CC=NC2=C1 5811 [1,0,0,0,0,0|2,0,0]=3 75 B12R2.24 CC1=CC=C2C=NC=CC2=C1 6210 [1,0,0,0,0,0|2,0,0]=3 76 B12R2.24 CC1=CC=C2N=CC=CC2=C1 5807 [1,0,0,0,0,0|1,0,0]=2 77 B12R2.24 CC1=NC2=CC=CC=C2C=C1 5809 [1,0,0,0,0,0|2,0,0]=3 78 B12R2.24 CC1=NC2=NC=CC=C2C=C1 13904 [1,0,0,0,0,0|3,0,0]=4 79 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 9464 [1,0,0,0,0,0|2,0,0]=3 80 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 6215 [1,0,0,0,0,0|3,0,0]=4 81 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 14555 [1,0,0,0,0,0|3,0,0]=4 82 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 19899 [1,0,0,0,0,0|3,0,0]=4 83 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 5813 [1,0,0,0,0,0|2,0,0]=3 84 B12R2.24 ClC1=CC=C2N=CC=NC2=C1 15421 [1,0,0,0,0,0|3,0,0]=4 85 B12R2.24 ClC1=CC=C2N=CN=CC2=C1 14680 [1,0,0,0,0,0|3,0,0]=4 86 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 7580 [1,0,0,0,0,0|2,0,0]=3 87 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 14666 [1,0,0,0,0,0|3,0,0]=4 88 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 15447 [1,0,0,0,0,0|3,0,0]=4 89 B12R2.24 ClC1=NC2=CC=NC=C2C=C1 14667 [1,0,0,0,0,0|3,0,0]=4 90 B12R2.24 ClC1=NC2=CN=CC=C2C=C1 25766 [1,0,0,0,0,0|3,0,0]=4 91 B12R2.24 ClC1=NC2=NC=CC=C2C=C1 18422 [1,0,0,0,0,0|3,0,0]=4 92 B12R2.24 FC1=CC2=CC=CC=C2C=C1 19886 [1,0,0,0,0,0|2,0,0]=3 93 B12R2.24 FC1=CC=C2C=NC=CC2=C1 27896 [1,0,0,0,0,0|3,0,0]=4 94 B12R2.24 FC1=CC=C2N=CC=CC2=C1 36233 [1,0,0,0,0,0|2,0,0]=3 95 B12R2.24 IC1=CC=C2N=CC=CC2=C1 23785 [1,0,0,0,0,0|2,0,0]=3 96 B12R2.24 IC1=CC=C2N=CN=CC2=C1 15886 [1,0,0,0,0,0|3,0,0]=4 97 B12R2.24 IC1=NC2=CC=CC=C2C=C1 24681 [1,0,0,0,0,0|2,0,0]=3 98 B12R2.24 NC1=CC2=CC=CC=C2C=C1 23236 [1,0,0,0,0,0|2,0,0]=3 99 B12R2.24 NC1=CC2=CC=CC=C2C=N1 6217 [1,0,0,0,0,0|3,0,0]=4 100 B12R2.24 NC1=CC2=CC=CC=C2N=C1 12769 [1,0,0,0,0,0|3,0,0]=4 101 B12R2.24 NC1=CC=C2C=CC=NC2=C1 12786 [1,0,0,0,0,0|3,0,0]=4 102 B12R2.24 NC1=CC=C2C=CN=CC2=C1 12737 [1,0,0,0,0,0|3,0,0]=4 103 B12R2.24 NC1=CC=C2C=NC=CC2=C1 34666 [1,0,0,0,0,0|3,0,0]=4 104 B12R2.24 NC1=CC=C2N=CC=CC2=C1 24732 [1,0,0,0,0,0|2,0,0]=3 105 B12R2.24 NC1=CC=C2N=CC=NC2=C1 15453 [1,0,0,0,0,0|3,0,0]=4 106 B12R2.24 NC1=NC2=CC=CC=C2C=C1 5818 [1,0,0,0,0,0|2,0,0]=3 107 B12R2.24 NC1=NC2=CC=CC=C2N=C1 15443 [1,0,0,0,0,0|3,0,0]=4 108 B12R2.24 NC1=NC2=CC=CN=C2C=C1 18361 [1,0,0,0,0,0|3,0,0]=4 109 B12R2.24 NC1=NC2=CN=CC=C2C=C1 25757 [1,0,0,0,0,0|3,0,0]=4 110 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [1,0,0,0,0,0|0,0,0]=1 111 B12R2.24 O=C1C=CC2=CC=NC=C2N1 25763 [1,0,0,0,0,0|2,0,0]=3 112 B12R2.24 O=C1C=CC2=CN=CC=C2N1 27583 [1,0,0,0,0,0|2,0,0]=3 113 B12R2.24 O=C1CC2=CC=CC=C2CO1 22155 [1,0,0,0,0,0|2,0,1]=4 114 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [1,0,0,0,0,0|1,0,2]=4 115 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [1,0,0,0,0,0|2,0,1]=4 116 B12R2.24 O=C1COC2=CC=CC=C2C1 9704 [1,0,0,0,0,0|2,0,1]=4 117 B12R2.24 OC1=CC2=CC=CC=C2N=C1 12770 [1,0,0,0,0,0|2,0,1]=4 118 B12R2.24 OC1=CC=C2C=CC=NC2=C1 5841 [1,0,0,0,0,0|2,0,1]=4 119 B12R2.24 OC1=CC=C2C=CN=CC2=C1 6264 [1,0,0,0,0,0|2,0,1]=4 120 B12R2.24 OC1=CC=C2C=NC=CC2=C1 6260 [1,0,0,0,0,0|2,0,1]=4 121 B12R2.24 OC1=CC=C2N=CC=CC2=C1 5840 [1,0,0,0,0,0|2,0,0]=3 122 B12R2.24 OC1=NC2=CC=CC=C2N=C1 15472 [1,0,0,0,0,0|2,0,1]=4 123 B12R2.24 OC1=NC2=CC=CN=C2C=C1 27746 [1,0,0,0,0,0|2,0,1]=4 124 B12R2.24 SC1=CC2=CC=CC=C2C=C1 6833 [1,0,0,0,0,0|1,1,0]=3 125 B12R2.24 SC1=NC2=CC=CC=C2N=C1 15427 [1,0,0,0,0,0|2,1,0]=4 126 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 35439 [1,0,0,0,0,0|2,0,1]=4 127 B14R2.2332 C=CC1=CC=C2C=C(O)C=CC2=C1 26531 [0,1,0,0,0,0|1,0,2]=4 128 B14R2.2332 CC1=NC2=CC=C(C=O)C=C2C=C1 24685 [0,1,0,0,0,0|2,0,0]=3 129 B14R2.2332 CC1=NC2=CC=C(CO)C=C2C=C1 24686 [0,1,0,0,0,0|2,0,0]=3 130 B14R2.2332 COC1=CC2=CC=C(Br)C=C2N=C1 21576 [0,1,0,0,0,0|3,0,0]=4 131 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 29076 [0,1,0,0,0,0|2,0,0]=3 132 B14R2.2332 COC1=CC=C2C=C(Br)C=NC2=C1 18327 [0,1,0,0,0,0|3,0,0]=4 133 B14R2.2332 COC1=CC=C2C=C(Cl)C=NC2=C1 18409 [0,1,0,0,0,0|3,0,0]=4 134 B14R2.2332 COC1=CC=C2C=C(O)C=CC2=C1 2282 [0,1,0,0,0,0|1,0,1]=3 135 B14R2.2332 COC1=CC=C2CC(=O)CCC2=C1 13703 [0,1,0,0,0,0|1,0,2]=4 136 B14R2.2332 COC1=CC=C2CC(=O)COC2=C1 18378 [0,1,0,0,0,0|2,0,1]=4 137 B14R2.2332 COC1=CC=C2N=C(C)C=CC2=C1 5910 [0,1,0,0,0,0|2,0,0]=3 138 B14R2.2332 COC1=CC=C2N=C(Cl)N=CC2=C1 32256 [0,1,0,0,0,0|3,0,0]=4 139 B14R2.2332 COC1=NC2=CC=C(Br)C=C2C=C1 33701 [0,1,0,0,0,0|2,0,1]=4 140 B14R2.2332 N#CC1=CC=C2N=C(Cl)C=CC2=C1 27905 [0,1,0,0,0,0|2,0,1]=4 141 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 35927 [0,1,0,0,0,0|2,0,0]=3 142 B14R2.2332 O=CC1=NC2=CC=C(F)C=C2C=C1 35640 [0,1,0,0,0,0|2,0,0]=3 143 B14R2.8235 CC1=CC=C2N=C(Cl)N=C(Cl)C2=C1 23095 [0,1,0,0,0,0|3,0,0]=4 144 B14R2.8235 CC1=CC=C2NC(=O)OC(=O)C2=C1 19767 [0,1,0,0,0,0|2,0,0]=3 145 B14R2.8235 FC1=CC=C2N=C(Cl)C=C(Cl)C2=C1 13935 [0,1,0,0,0,0|3,0,0]=4 146 B14R2.8235 O=C1C=C(O)C2=CC(Cl)=CC=C2O1 24343 [0,1,0,0,0,0|1,0,0]=2 147 B14R2.8235 O=C1NC(=O)C2=CC(Br)=CC=C2N1 20961 [0,1,0,0,0,0|3,0,0]=4 148 B14R2.8235 O=C1NC2=CC=C(Br)C=C2C(=O)O1 12764 [0,1,0,0,0,0|3,0,0]=4 149 B14R2.8235 O=C1NC2=CC=C(Cl)C=C2C(=O)O1 2115 [0,1,0,0,0,0|3,0,0]=4 150 B14R2.8235 O=C1NC2=CC=C(F)C=C2C(=O)O1 1956 [0,1,0,0,0,0|3,0,0]=4 151 B14R2.8239 CC1=CC=C2N=C(Cl)C(Cl)=NC2=C1 20637 [0,1,0,0,0,0|3,0,0]=4 152 B14R2.8239 O=C1C=CC2=CC(O)=C(O)C=C2O1 10610 [0,1,0,0,0,0|1,0,0]=2 153 B14R2.29369 OC1=C(Br)C2=CC=C(Br)C=C2C=C1 22920 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 25873 [0,0,1,0,0,0|1,0,2]=4 155 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 25814 [0,0,1,0,0,0|1,0,2]=4 156 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 13947 [0,0,1,0,0,0|1,0,2]=4 157 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 26050 [0,0,1,0,0,0|1,0,2]=4 158 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 19211 [0,0,1,0,0,0|2,0,1]=4 159 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 3757 [0,0,1,0,0,0|1,0,0]=2 160 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 3629 [0,0,1,0,0,0|1,0,0]=2 161 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 3489 [0,0,1,0,0,0|1,0,0]=2 162 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 4346 [0,0,1,0,0,0|1,0,0]=2 163 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 8222 [0,0,1,0,0,0|1,0,0]=2 164 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 34709 [0,0,1,0,0,0|2,0,1]=4 165 B12R1.233 Cc1ccc(CC(=O)O)c(C)c1 26355 [0,0,1,0,0,0|2,0,1]=4 166 B12R2.606 CC1=CC2=C(C=C1)N=C(C)N2 7657 [0,0,0,0,1,0|3,0,0]=4 167 B12R2.606 CC1=CC2=C(C=C1)N=C(C)S2 21826 [0,0,0,0,1,0|3,0,0]=4 168 B12R2.606 CC1=CC2=C(C=C1)N=C(Cl)S2 21875 [0,0,0,0,1,0|3,0,0]=4 169 B12R2.606 CC1=CC2=C(C=C1)N=C(N)S2 8469 [0,0,0,0,1,0|3,0,0]=4 170 B12R2.606 CC1=CC2=C(C=C1)N=C(S)N2 7610 [0,0,0,0,1,0|2,1,0]=4 171 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 21721 [0,0,0,0,1,0|2,0,0]=3 172 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 8640 [0,0,0,0,1,0|2,0,0]=3 173 B12R2.606 CC1=CC2=C(C=C1)OC(N)=N2 17701 [0,0,0,0,1,0|2,0,0]=3 174 B12R2.606 CC1=CC2=C(C=C1)SC(N)=N2 26064 [0,0,0,0,1,0|2,1,0]=4 175 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 32466 [0,0,0,0,1,0|2,0,0]=3 176 B12R2.606 CC1=CC2=CC(Br)=CC=C2N1 9382 [0,0,0,0,1,0|3,0,0]=4 177 B12R2.606 CC1=CC2=CC(Cl)=CC=C2N1 17201 [0,0,0,0,1,0|3,0,0]=4 178 B12R2.606 CC1=CC2=CC(F)=CC=C2N1 2158 [0,0,0,0,1,0|3,0,0]=4 179 B12R2.606 CC1=CC2=CC(N)=CC=C2N1 7273 [0,0,0,0,1,0|3,0,0]=4 180 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 8551 [0,0,0,0,1,0|2,0,1]=4 181 B12R2.606 CC1=CC2=CC=C(Cl)C=C2N1 19921 [0,0,0,0,1,0|3,0,0]=4 182 B12R2.606 CC1=CC2=CC=C(F)C=C2N1 19920 [0,0,0,0,1,0|3,0,0]=4 183 B12R2.606 CC1=CC2=CC=C(O)C=C2N1 19945 [0,0,0,0,1,0|2,0,1]=4 184 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 8314 [0,0,0,0,1,0|1,0,1]=3 185 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 7330 [0,0,0,0,1,0|2,0,0]=3 186 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 33471 [0,0,0,0,1,0|3,0,0]=4 187 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)O1 8645 [0,0,0,0,1,0|3,0,0]=4 188 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 33731 [0,0,0,0,1,0|3,0,0]=4 189 B12R2.606 FC1=CC2=C(C=C1)OC(Cl)=N2 21891 [0,0,0,0,1,0|3,0,0]=4 190 B12R2.606 NC1=CC2=C(C=C1)NC(=O)S2 21730 [0,0,0,0,1,0|3,0,0]=4 191 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 7209 [0,0,0,0,1,0|2,0,1]=4 192 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)O1 27923 [0,0,0,0,1,0|3,0,0]=4 193 B12R2.606 NC1=NC2=C(C=CC(Cl)=C2)O1 12473 [0,0,0,0,1,0|3,0,0]=4 194 B12R2.606 NC1=NC2=C(C=CC(F)=C2)O1 21895 [0,0,0,0,1,0|3,0,0]=4 195 B12R2.606 Nc1ccc2nc(=O)nc2c1 7162 [0,0,0,0,1,0|3,0,0]=4 196 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 7169 [0,0,0,0,1,0|2,0,1]=4 197 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 1673 [0,0,0,0,1,0|2,0,1]=4 198 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 1687 [0,0,0,0,1,0|2,0,1]=4 199 B12R2.606 O=C1CC2=CC(O)=CC=C2N1 7348 [0,0,0,0,1,0|2,0,1]=4 200 B12R2.606 O=C1CC2=CC=C(Br)C=C2C1 18044 [0,0,0,0,1,0|2,0,1]=4 201 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 7320 [0,0,0,0,1,0|3,0,0]=4 202 B12R2.606 O=C1CC2=CC=C(Cl)C=C2C1 18039 [0,0,0,0,1,0|2,0,1]=4 203 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 1674 [0,0,0,0,1,0|3,0,0]=4 204 B12R2.606 O=C1CC2=CC=C(F)C=C2C1 18032 [0,0,0,0,1,0|2,0,1]=4 205 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 1688 [0,0,0,0,1,0|3,0,0]=4 206 B12R2.606 O=C1CC2=CC=C(I)C=C2C1 18087 [0,0,0,0,1,0|2,0,1]=4 207 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 21893 [0,0,0,0,1,0|3,0,0]=4 208 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 21839 [0,0,0,0,1,0|3,0,0]=4 209 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)O1 8644 [0,0,0,0,1,0|3,0,0]=4 210 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 21837 [0,0,0,0,1,0|3,0,0]=4 211 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 21892 [0,0,0,0,1,0|2,0,0]=3 212 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)S1 21841 [0,0,0,0,1,0|2,1,0]=4 213 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 8642 [0,0,0,0,1,0|2,0,0]=3 214 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)S1 13573 [0,0,0,0,1,0|2,1,0]=4 215 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 15342 [0,0,0,0,1,0|2,0,0]=3 216 B12R2.606 SC1=NC2=C(C=CC(Cl)=C2)O1 8704 [0,0,0,0,1,0|2,1,0]=4 217 B12R2.612 BrC1=CC=C2C(Br)=CNC2=C1 8325 [0,0,0,0,1,0|3,0,0]=4 218 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 8850 [0,0,0,0,1,0|0,0,2]=3 219 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 32472 [0,0,0,0,1,0|3,0,0]=4 220 B12R2.612 CC1=CSC2=C1C=CC(Br)=C2 32447 [0,0,0,0,1,0|3,0,0]=4 221 B12R2.612 CC1=CSC2=C1C=CC(Cl)=C2 33021 [0,0,0,0,1,0|3,0,0]=4 222 B12R2.612 CN1C=CC2=CC(Br)=CC=C21 7946 [0,0,0,0,1,0|3,0,0]=4 223 B12R2.612 CN1C=CC2=CC(Cl)=CC=C21 16045 [0,0,0,0,1,0|3,0,0]=4 224 B12R2.612 CN1C=CC2=CC(F)=CC=C21 16044 [0,0,0,0,1,0|3,0,0]=4 225 B12R2.612 CN1C=CC2=CC(N)=CC=C21 9381 [0,0,0,0,1,0|3,0,0]=4 226 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 14476 [0,0,0,0,1,0|1,0,2]=4 227 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 25145 [0,0,0,0,1,0|2,0,1]=4 228 B12R2.612 NC1=CC=C2C(=O)OCC2=C1 25214 [0,0,0,0,1,0|2,0,1]=4 229 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 8853 [0,0,0,0,1,0|1,0,2]=4 230 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 2250 [0,0,0,0,1,0|1,0,2]=4 231 B12R2.612 O=C1CCC2=CC(F)=CC=C12 2388 [0,0,0,0,1,0|1,0,2]=4 232 B12R2.612 O=C1CCC2=CC(I)=CC=C12 17862 [0,0,0,0,1,0|1,0,2]=4 233 B12R2.612 O=C1CCC2=CC(O)=CC=C12 8857 [0,0,0,0,1,0|1,0,2]=4 234 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 17998 [0,0,0,0,1,0|2,0,1]=4 235 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 17996 [0,0,0,0,1,0|2,0,1]=4 236 B12R2.612 O=C1COC2=C1C=CC(I)=C2 22336 [0,0,0,0,1,0|2,0,1]=4 237 B12R2.612 O=C1COC2=C1C=CC(O)=C2 28015 [0,0,0,0,1,0|2,0,1]=4 238 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 35478 [0,0,0,0,1,0|2,0,1]=4 239 B12R2.612 O=C1NCC2=CC(F)=CC=C12 31701 [0,0,0,0,1,0|2,0,1]=4 240 B12R2.612 O=C1NCc2cc(O)ccc21 31625 [0,0,0,0,1,0|2,0,1]=4 241 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 20699 [0,0,0,0,1,0|2,0,1]=4 242 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [1,0,1,0,0,0|1,0,1]=4 243 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [1,0,1,0,0,0|1,0,1]=4 244 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [1,0,1,0,0,0|1,0,1]=4 245 B11R1.37 CC1=CC(C#N)=C(C=O)C=C1 27853 [1,0,1,0,0,0|1,0,1]=4 246 B11R1.37 COC1=C(C=O)C=CC(C)=C1 18122 [1,0,1,0,0,0|1,0,1]=4 247 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 11078 [1,0,1,0,0,0|1,0,0]=3 248 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 25891 [1,0,1,0,0,0|1,0,0]=3 249 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 36191 [1,0,1,0,0,0|1,0,0]=3 250 B11R1.91 O=C(O)C#CC1=CC=CC=C1 13737 [1,0,1,0,0,0|0,0,2]=4 251 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [1,0,1,0,0,0|0,0,2]=4 252 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 13612 [1,0,1,0,0,0|0,0,0]=2 253 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 16731 [1,0,1,0,0,0|1,0,0]=3 254 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3816 [1,0,1,0,0,0|1,0,0]=3 255 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 9807 [1,0,1,0,0,0|1,0,0]=3 256 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 8142 [1,0,1,0,0,0|0,0,1]=3 257 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 34899 [1,0,1,0,0,0|1,0,1]=4 258 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 33530 [1,0,1,0,0,0|1,0,1]=4 259 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 3055 [1,0,1,0,0,0|1,0,1]=4 260 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 3059 [1,0,1,0,0,0|1,0,1]=4 261 B11R1.86 CC(=O)OC1=C(I)C=CC=C1 3062 [1,0,1,0,0,0|1,0,1]=4 262 B11R2.20 C1=CC2=CN=CC=C2N=C1 18071 [2,0,0,0,0,0|2,0,0]=4 263 B11R2.20 C1=CC=C2C=NC=CC2=C1 7536 [2,0,0,0,0,0|2,0,0]=4 264 B11R2.20 C1=CN=C2C=CC=NC2=C1 18072 [2,0,0,0,0,0|2,0,0]=4 265 B11R2.20 C1=CN=C2N=CC=CC2=C1 16485 [2,0,0,0,0,0|2,0,0]=4 266 B13R1.15 COC(=O)\C=C\c1cccc(Br)c1 27528 [0,1,1,0,0,0|1,0,0]=3 267 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=C1 29987 [0,1,1,0,0,0|0,0,2]=4 268 B13R1.147 CC1=CC=CC([C@H](N)CC(=O)O)=C1 30024 [0,1,1,0,0,0|0,0,2]=4 269 B13R1.148 CC1=CC(C[C@@H](N)C(=O)O)=CC=C1 18697 [0,1,1,0,0,0|0,0,2]=4 270 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 18698 [0,1,1,0,0,0|0,0,2]=4 271 B13R1.150 O=C(O)\C=C\C1=C(F)C(Cl)=CC=C1 7112 [0,1,1,0,0,0|1,0,0]=3 272 B13R1.150 O=C(O)\C=C\C1=C(F)C(F)=CC=C1 4329 [0,1,1,0,0,0|1,0,0]=3 273 B13R1.511 CC1=C(C)C=C(CCC(=O)O)C=C1 25724 [0,1,1,0,0,0|0,0,2]=4 274 B13R1.511 O=C(O)\C=C\C1=CC(Br)=C(F)C=C1 3228 [0,1,1,0,0,0|1,0,0]=3 275 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(Cl)C=C1 8259 [0,1,1,0,0,0|1,0,0]=3 276 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(F)C=C1 4071 [0,1,1,0,0,0|1,0,0]=3 277 B13R1.511 O=C(O)\C=C\C1=CC(F)=C(F)C=C1 3107 [0,1,1,0,0,0|1,0,0]=3 278 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 8262 [0,1,1,0,0,0|1,0,0]=3 279 B13R1.643 COC1=CC=CC(\C=C\C(=O)O)=C1 8229 [0,1,1,0,0,0|0,0,0]=2 280 B13R1.893 O=C(O)\C=C\C1=C(Br)C=CC(F)=C1 26645 [0,1,1,0,0,0|1,0,0]=3 281 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(Br)=C1 3230 [0,1,1,0,0,0|1,0,0]=3 282 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(F)=C1 4336 [0,1,1,0,0,0|1,0,0]=3 283 B13R1.3420 O=C(O)\C=C\C1=CC(F)=CC(F)=C1 4345 [0,1,1,0,0,0|1,0,0]=3 284 B13R1.653 COC1=CC(Br)=C(OC(C)=O)C=C1 5303 [0,1,1,0,0,0|1,0,1]=4 285 B13R2.32 CC1=C(Cl)C2=CC=CC=C2N=C1 22720 [1,1,0,0,0,0|2,0,0]=4 286 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 15912 [1,1,0,0,0,0|1,0,0]=3 287 B13R2.32 FC1=C(Br)C=CC2=CC=CC=C21 13696 [1,1,0,0,0,0|2,0,0]=4 288 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 34401 [1,1,0,0,0,0|2,0,0]=4 289 B13R2.32 NC1=C(N)C2=CC=CC=C2C=C1 35202 [1,1,0,0,0,0|2,0,0]=4 290 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 22909 [1,1,0,0,0,0|1,0,1]=4 291 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 28186 [1,1,0,0,0,0|2,0,0]=4 292 B13R2.57 BrCC1=CC2=CC=CC=C2C=C1 9429 [1,1,0,0,0,0|1,0,0]=3 293 B13R2.57 BrCC1=CC2=CC=CC=C2C=N1 23798 [1,1,0,0,0,0|2,0,0]=4 294 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 23800 [1,1,0,0,0,0|2,0,0]=4 295 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 19828 [1,1,0,0,0,0|1,0,1]=4 296 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 9471 [1,1,0,0,0,0|1,0,1]=4 297 B13R2.57 CCC1=CC2=CC=CC=C2N=C1 7519 [1,1,0,0,0,0|2,0,0]=4 298 B13R2.57 COC1=CC2=CC=CC=C2C=C1 29075 [1,1,0,0,0,0|1,0,0]=3 299 B13R2.57 COC1=CC=C2C=CN=CC2=C1 6277 [1,1,0,0,0,0|2,0,0]=4 300 B13R2.57 COC1=CC=C2C=NC=CC2=C1 6276 [1,1,0,0,0,0|2,0,0]=4 301 B13R2.57 COC1=CC=C2N=CC=CC2=C1 5917 [1,1,0,0,0,0|1,0,0]=3 302 B13R2.57 COC1=NC2=CC=CC=C2C=C1 23493 [1,1,0,0,0,0|1,0,1]=4 303 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 28940 [1,1,0,0,0,0|1,0,0]=3 304 B13R2.57 N#CC1=CC=C2N=CC=CC2=C1 31670 [1,1,0,0,0,0|1,0,1]=4 305 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 36052 [1,1,0,0,0,0|2,0,0]=4 306 B13R2.57 NCC1=CC=C2N=CC=CC2=C1 13321 [1,1,0,0,0,0|1,0,0]=3 307 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 5819 [1,1,0,0,0,0|2,0,0]=4 308 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 9416 [1,1,0,0,0,0|1,0,0]=3 309 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 23838 [1,1,0,0,0,0|2,0,0]=4 310 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 10181 [1,1,0,0,0,0|1,0,1]=4 311 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 2277 [1,1,0,0,0,0|1,0,0]=3 312 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 21935 [1,1,0,0,0,0|2,0,0]=4 313 B13R2.57 O=CC1=NC2=NC=CC=C2C=C1 17894 [1,1,0,0,0,0|2,0,0]=4 314 B13R2.57 OCC1=CC=C2N=CC=CC2=C1 12427 [1,1,0,0,0,0|1,0,0]=3 315 B13R2.57 [C-]#[N+]C1=CC2=CC=CC=C2C=C1 29045 [1,1,0,0,0,0|1,0,1]=4 316 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 36175 [1,1,0,0,0,0|2,0,0]=4 317 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 5850 [1,1,0,0,0,0|2,0,0]=4 318 B13R2.155 CC1=NC2=CC(F)=CC=C2C=C1 5896 [1,1,0,0,0,0|2,0,0]=4 319 B13R2.155 ClC1=NC2=CC(Br)=CC=C2C=C1 27904 [1,1,0,0,0,0|2,0,0]=4 320 B13R2.155 NC1=NC2=CC(Br)=CC=C2C=C1 34537 [1,1,0,0,0,0|2,0,0]=4 321 B13R2.155 O=C1C=CC2=CC=C(O)C=C2N1 5866 [1,1,0,0,0,0|1,0,0]=3 322 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 10607 [1,1,0,0,0,0|0,0,0]=2 323 B13R2.155 O=C1C=NC2=CC=C(Cl)C=C2N1 18465 [1,1,0,0,0,0|2,0,0]=4 324 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=C1 32314 [1,1,0,0,0,0|1,0,1]=4 325 B13R2.162 CC1=CC=C2C=CN=C(Cl)C2=C1 34167 [1,1,0,0,0,0|2,0,0]=4 326 B13R2.162 CC1=CC=C2OCCC(=O)C2=C1 17932 [1,1,0,0,0,0|0,0,2]=4 327 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 21848 [1,1,0,0,0,0|2,0,0]=4 328 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 5878 [1,1,0,0,0,0|2,0,0]=4 329 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 5852 [1,1,0,0,0,0|2,0,0]=4 330 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 24684 [1,1,0,0,0,0|2,0,0]=4 331 B13R2.162 ClC1=CC=C2N=CC=C(Cl)C2=C1 5894 [1,1,0,0,0,0|2,0,0]=4 332 B13R2.162 ClC1=CC=NC2=CC=C(Br)C=C12 20825 [1,1,0,0,0,0|2,0,0]=4 333 B13R2.162 ClC1=CC=NC2=CC=C(I)C=C12 14688 [1,1,0,0,0,0|2,0,0]=4 334 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 16930 [1,1,0,0,0,0|2,0,0]=4 335 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=C1 23770 [1,1,0,0,0,0|2,0,0]=4 336 B13R2.162 FC1=CC=C2N=CC=C(Br)C2=C1 32272 [1,1,0,0,0,0|2,0,0]=4 337 B13R2.162 FC1=CC=C2N=CC=C(Cl)C2=C1 5845 [1,1,0,0,0,0|2,0,0]=4 338 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 22270 [1,1,0,0,0,0|1,0,1]=4 339 B13R2.162 NC1=CC=NC2=CC=C(Br)C=C12 20826 [1,1,0,0,0,0|2,0,0]=4 340 B13R2.162 NC1=CC=NC2=CC=C(F)C=C12 23945 [1,1,0,0,0,0|2,0,0]=4 341 B13R2.162 NC1=NC2=C(Br)C=CC=C2C=C1 27726 [1,1,0,0,0,0|2,0,0]=4 342 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2N1 27901 [1,1,0,0,0,0|1,0,0]=3 343 B13R2.162 OC1=CC=C2N=CC=C(Br)C2=C1 8309 [1,1,0,0,0,0|2,0,0]=4 344 B13R2.162 OC1=CC=NC2=CC=C(Br)C=C12 20827 [1,1,0,0,0,0|2,0,0]=4 345 B13R2.162 OC1=CC=NC2=CC=C(Cl)C=C12 10576 [1,1,0,0,0,0|2,0,0]=4 346 B13R2.162 OC1=CC=NC2=CC=C(F)C=C12 5897 [1,1,0,0,0,0|2,0,0]=4 347 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 7554 [1,1,0,0,0,0|1,0,1]=4 348 B13R2.328 CC1=C2N=CC=CC2=CC(Cl)=C1 27417 [1,1,0,0,0,0|2,0,0]=4 349 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 5875 [1,1,0,0,0,0|2,0,0]=4 350 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 5879 [1,1,0,0,0,0|2,0,0]=4 351 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 5862 [1,1,0,0,0,0|1,0,1]=4 352 B13R2.328 CC1=CC2=CC=CC=C2C(Cl)=N1 19783 [1,1,0,0,0,0|2,0,0]=4 353 B13R2.328 CC1=CC2=CC=CC=C2C(O)=N1 27723 [1,1,0,0,0,0|2,0,0]=4 354 B13R2.328 FC1=CC(Br)=CC2=CC=CC=C12 13690 [1,1,0,0,0,0|2,0,0]=4 355 B13R2.328 NC1=CC(=O)C2=CC=CC=C2N1 13209 [1,1,0,0,0,0|2,0,0]=4 356 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 27641 [1,1,0,0,0,0|2,0,0]=4 357 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 27898 [1,1,0,0,0,0|2,0,0]=4 358 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=C1 27781 [1,1,0,0,0,0|2,0,0]=4 359 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 8693 [1,1,0,0,0,0|0,0,0]=2 360 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 13599 [1,1,0,0,0,0|2,0,0]=4 361 B13R2.328 OC1=C2N=CC=CC2=CC(Br)=C1 34716 [1,1,0,0,0,0|2,0,0]=4 362 B13R2.328 OC1=CC(O)=NC2=CC=CC=C12 7556 [1,1,0,0,0,0|1,0,1]=4 363 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 26197 [1,1,0,0,0,0|1,0,1]=4 364 B13R2.369 CC1=C(O)C=C2C=CC=NC2=C1 34451 [1,1,0,0,0,0|2,0,0]=4 365 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl 12431 [1,1,0,0,0,0|2,0,0]=4 366 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br 35526 [1,1,0,0,0,0|2,0,0]=4 367 B13R2.369 FC1=C(Br)C=C2C=CC=NC2=C1 17381 [1,1,0,0,0,0|2,0,0]=4 368 B13R2.369 FC1=C(F)C=C2N=CC=CC2=C1 7217 [1,1,0,0,0,0|2,0,0]=4 369 B13R2.369 NC1=CC2=CC=CC=C2C=C1N 15532 [1,1,0,0,0,0|2,0,0]=4 370 B13R2.5179 CC1=CC=C2C(Cl)=CC=NC2=C1 34410 [1,1,0,0,0,0|2,0,0]=4 371 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 34782 [1,1,0,0,0,0|1,0,0]=3 372 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=C1 24683 [1,1,0,0,0,0|2,0,0]=4 373 B13R2.5179 NC1=CC=C2C(O)=CC=CC2=C1 12474 [1,1,0,0,0,0|2,0,0]=4 374 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 34829 [1,1,0,0,0,0|2,0,0]=4 375 B13R2.5179 NC1=NC2=CC=CC(Br)=C2C=C1 27897 [1,1,0,0,0,0|2,0,0]=4 376 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)O1 10165 [0,1,0,0,1,0|1,0,0]=3 377 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)S1 27920 [0,1,0,0,1,0|1,1,0]=4 378 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 21830 [0,1,0,0,1,0|2,0,0]=4 379 B13R2.2121 COC1=CC2=C(C=C1)OC(C)=N2 25985 [0,1,0,0,1,0|2,0,0]=4 380 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)C2 17715 [0,1,0,0,1,0|0,1,1]=4 381 B13R2.2121 COC1=CC=C2CC(=O)CC2=C1 18091 [0,1,0,0,1,0|1,0,1]=4 382 B13R2.2121 COC1=CC=C2CC(=O)NC2=C1 8303 [0,1,0,0,1,0|2,0,0]=4 383 B13R2.2121 COC1=CC=C2NC(=O)CC2=C1 8313 [0,1,0,0,1,0|1,0,1]=4 384 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 7236 [0,1,0,0,1,0|2,0,0]=4 385 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 13606 [0,1,0,0,1,0|1,0,0]=3 386 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O 1666 [0,1,0,0,1,0|2,0,0]=4 387 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O 13607 [0,1,0,0,1,0|2,0,0]=4 388 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O 1685 [0,1,0,0,1,0|2,0,0]=4 389 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O 15509 [0,1,0,0,1,0|2,0,0]=4 390 B13R2.13083 CC1=CC2=C(C=C1C)OC(C)=N2 8696 [0,1,0,0,1,0|2,0,0]=4 391 B13R2.13083 CC1=CC2=NC(=O)N=C2C=C1N 7588 [0,1,0,0,1,0|2,0,0]=4 392 B13R2.662 CC1=CC=C2C(C=O)=CNC2=C1 7241 [0,1,0,0,1,0|1,0,0]=3 393 B13R2.662 O=CC1=CNC2=CC(Br)=CC=C12 7691 [0,1,0,0,1,0|2,0,0]=4 394 B13R2.662 O=CC1=CNC2=CC(Cl)=CC=C12 7693 [0,1,0,0,1,0|2,0,0]=4 395 B13R2.662 O=CC1=CNC2=CC(F)=CC=C12 7269 [0,1,0,0,1,0|2,0,0]=4 396 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 18002 [0,1,0,0,1,0|1,0,1]=4 397 B13R2.2130 COC1=CC=C2C(=C1)C=CN2C 13866 [0,1,0,0,1,0|2,0,0]=4 398 B13R2.2130 COC1=CC=C2C(=O)CCC2=C1 2031 [0,1,0,0,1,0|0,0,2]=4 399 B13R2.2130 COc1ccc2c(c1)CNC2=O 31624 [0,1,0,0,1,0|1,0,1]=4 400 B13R2.2130 O=C1NCC2=CC(CO)=CC=C12 25141 [0,1,0,0,1,0|1,0,1]=4 401 B13R2.5187 NC1=CC=C2C(=O)NC(=O)C2=C1 30274 [0,1,0,0,1,0|2,0,0]=4 402 B13R2.5187 O=C1OC(=O)C2=CC(Br)=CC=C12 2027 [0,1,0,0,1,0|2,0,0]=4 403 B13R2.5187 O=C1OC(=O)C2=CC(Cl)=CC=C12 12512 [0,1,0,0,1,0|2,0,0]=4 404 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 1950 [0,1,0,0,1,0|2,0,0]=4 405 B13R2.11634 CC1=C(C)C=C2C(=O)CCC2=C1 25730 [0,1,0,0,1,0|0,0,2]=4 406 B13R2.11642 CC1=CC(C)=C2C(=O)CCC2=C1 5362 [0,1,0,0,1,0|0,0,2]=4 407 B15R2.1754 CC1=CC=C2C=C(C=O)C(Cl)=NC2=C1 7567 [0,2,0,0,0,0|2,0,0]=4 408 B15R2.1754 COC1=C(O)C=C2OC(=O)C=CC2=C1 15777 [0,2,0,0,0,0|0,0,0]=2 409 B15R2.4780 COC1=CC=C2C=C(C=O)C=CC2=C1 13704 [0,2,0,0,0,0|1,0,0]=3 410 B15R2.4780 COC1=CC=C2C=C(OC)C=CC2=C1 22734 [0,2,0,0,0,0|1,0,1]=4 411 B15R2.4780 COC1=CC=C2NC(=C=O)C=CC2=C1 13952 [0,2,0,0,0,0|1,0,0]=3 412 B15R2.7180 CC(=O)C1=CC=C2C=C(O)C=CC2=C1 11101 [0,2,0,0,0,0|1,0,1]=4 413 B15R2.7180 CC1=NC2=CC=C(C(=O)O)C=C2C=C1 36096 [0,2,0,0,0,0|2,0,0]=4 414 B15R2.7180 O=C(Cl)C1=CC2=CC=C(Br)C=C2C=C1 35114 [0,2,0,0,0,0|2,0,0]=4 415 B15R2.7180 O=C(O)C1=CC2=CC=C(Br)C=C2C=C1 9466 [0,2,0,0,0,0|2,0,0]=4 416 B15R2.7180 O=C(O)C1=CC2=CC=C(Cl)C=C2C=C1 33553 [0,2,0,0,0,0|2,0,0]=4 417 B15R2.7180 O=C(O)C1=CC2=CC=C(F)C=C2C=C1 9468 [0,2,0,0,0,0|2,0,0]=4 418 B15R2.7180 O=C(O)C1=NC2=CC=C(Br)C=C2C=C1 13404 [0,2,0,0,0,0|2,0,0]=4 419 B15R2.7180 O=C1C=CC2=CC([N+](=O)[O-])=CC=C2N1 27591 [0,2,0,0,0,0|2,0,0]=4 420 B15R2.21329 COC1=CC=C2CC(=O)NC(=O)C2=C1 18357 [0,2,0,0,0,0|2,0,0]=4 421 B15R2.21329 COC1=CC=C2N=C(C)C=C(N)C2=C1 23950 [0,2,0,0,0,0|2,0,0]=4 422 B15R2.21329 COC1=CC=C2NC(=O)OC(=O)C2=C1 28840 [0,2,0,0,0,0|2,0,0]=4 423 B15R2.21329 COC1=CC=C2NC(=O)OC(=O)C2=C1 36271 [0,2,0,0,0,0|2,0,0]=4 424 B15R2.21329 COC1=CC=C2OC(=O)C=C(O)C2=C1 13265 [0,2,0,0,0,0|0,0,0]=2 425 B15R2.21336 COC1=CC=C2NC(=O)C(=O)NC2=C1 34277 [0,2,0,0,0,0|2,0,0]=4 426 B15R2.89401 COC1=CC=C2C(=C1)C=CC(=O)N2C 26048 [0,2,0,0,0,0|1,0,0]=3 427 B15R2.59733 CC1=C(C)C=C2C(=O)NC(=O)NC2=C1 6328 [0,2,0,0,0,0|2,0,0]=4 428 B15R2.59733 CC1=C(C)C=C2C(O)=CC(=O)OC2=C1 8692 [0,2,0,0,0,0|0,0,0]=2 429 B15R2.1824 CC1=CC=C2N=C(Cl)C(C=O)=CC2=C1 5947 [0,2,0,0,0,0|2,0,0]=4 430 B15R2.1824 N#CC1=CC2=CC(Cl)=CC=C2NC1=O 22715 [0,2,0,0,0,0|2,0,0]=4 431 B13R2.371 CC1=C2N=CC=CC2=C(Br)C=C1 34294 [0,0,1,1,0,0|2,0,0]=4 432 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 34809 [0,0,1,1,0,0|2,0,0]=4 433 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 35375 [0,0,1,1,0,0|2,0,0]=4 434 B13R2.371 OC1=CC=C(Br)C2=CC=CC=C12 35501 [0,0,1,1,0,0|2,0,0]=4 435 B13R2.371 OC1=CC=C(Cl)C2=CC=CC=C12 34669 [0,0,1,1,0,0|2,0,0]=4 436 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 12114 [0,0,1,0,1,0|1,0,0]=3 437 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 7423 [0,0,1,0,1,0|1,0,1]=4 438 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 22351 [0,0,1,0,1,0|1,0,1]=4 439 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 23893 [0,0,1,0,1,0|1,0,1]=4 440 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 20971 [0,0,1,0,1,0|0,0,2]=4 441 B11R1.22 COC(=O)C1=CC=C(C)C=C1 15479 [0,0,1,0,1,0|1,0,1]=4 442 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 12103 [0,0,1,0,1,0|2,0,0]=4 443 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 27268 [0,0,1,0,1,0|2,0,0]=4 444 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 12090 [0,0,1,0,1,0|2,0,0]=4 445 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 12088 [0,0,1,0,1,0|2,0,0]=4 446 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 12125 [0,0,1,0,1,0|2,0,0]=4 447 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 3340 [0,0,1,0,1,0|2,0,0]=4 448 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 28872 [0,0,1,0,1,0|0,0,1]=3 449 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 1961 [0,0,1,0,1,0|1,0,1]=4 450 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 4244 [0,0,1,0,1,0|1,0,1]=4 451 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 16510 [0,0,1,0,1,0|1,0,1]=4 452 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 4167 [0,0,1,0,1,0|1,0,1]=4 453 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 4195 [0,0,1,0,1,0|1,0,1]=4 454 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 21773 [0,0,1,0,1,0|1,0,1]=4 455 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 3376 [0,0,1,0,1,0|0,0,2]=4 456 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 16935 [0,0,1,0,1,0|1,0,1]=4 457 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 4719 [0,0,1,0,1,0|2,0,0]=4 458 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 15441 [0,0,1,0,1,0|1,0,1]=4 459 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 4567 [0,0,1,0,1,0|2,0,0]=4 460 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 1395 [0,0,1,0,1,0|2,0,0]=4 461 B11R1.166 CC1=CC(I)=C(C(=O)O)C=C1 30572 [0,0,1,0,1,0|2,0,0]=4 462 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 4952 [0,0,1,0,1,0|2,0,0]=4 463 B11R1.166 CC1=CC(N)=C(C(N)=O)C=C1 4030 [0,0,1,0,1,0|2,0,0]=4 464 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 18270 [0,0,1,0,1,0|2,0,0]=4 465 B11R2.1 BrC1=CNC2=CC=CC=C12 11087 [1,0,0,0,1,0|2,0,0]=4 466 B11R2.1 BrC1=COC2=C1C=CC=C2 28021 [1,0,0,0,1,0|2,0,0]=4 467 B11R2.1 BrC1=CSC2=C1C=CC=C2 13106 [1,0,0,0,1,0|2,0,0]=4 468 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [1,0,0,0,1,0|1,0,1]=4 469 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [1,0,0,0,1,0|2,0,0]=4 470 B11R2.1 CC1=CNC2=NC=CC=C12 19349 [1,0,0,0,1,0|2,0,0]=4 471 B11R2.1 CC1=CSC2=C1C=CC=C2 13547 [1,0,0,0,1,0|2,0,0]=4 472 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [1,0,0,0,1,0|1,0,1]=4 473 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [1,0,0,0,1,0|2,0,0]=4 474 B11R2.1 ClC1=CNC2=CC=CC=C12 25672 [1,0,0,0,1,0|2,0,0]=4 475 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [1,0,0,0,1,0|0,0,2]=4 476 B11R2.1 O=C1COC2=C1C=CC=C2 7023 [1,0,0,0,1,0|1,0,1]=4 477 B11R2.1 O=C1CSC2=C1C=CC=C2 23797 [1,0,0,0,1,0|1,0,1]=4 478 B11R2.1 O=C1NCC2=CC=CC=C12 25108 [1,0,0,0,1,0|1,0,1]=4 479 B11R2.1 O=C1NNC2=CC=CC=C12 28083 [1,0,0,0,1,0|2,0,0]=4 480 B11R2.1 O=C1NSC2=C1C=CC=C2 15685 [1,0,0,0,1,0|2,0,0]=4 481 B11R2.1 O=C1OCC2=CC=CC=C12 22169 [1,0,0,0,1,0|1,0,1]=4 482 B11R2.1 O=C1SSC2=C1C=CC=C2 32197 [1,0,0,0,1,0|2,0,0]=4 483 B11R2.1 OC1=CNC2=CC=CC=C12 7264 [1,0,0,0,1,0|1,0,1]=4 484 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 13460 [1,0,0,0,1,0|1,0,0]=3 485 B11R2.10 BrC1=CC2=CC=CC=C2C1 9657 [1,0,0,0,1,0|2,0,0]=4 486 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 33485 [1,0,0,0,1,0|2,0,0]=4 487 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [1,0,0,0,1,0|1,0,1]=4 488 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [1,0,0,0,1,0|2,0,0]=4 489 B11R2.10 CC1=NC2=C(C=CC=C2)O1 8631 [1,0,0,0,1,0|2,0,0]=4 490 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 21885 [1,0,0,0,1,0|2,0,0]=4 491 B11R2.10 NC1=NC2=C(C=CC=C2)O1 17695 [1,0,0,0,1,0|2,0,0]=4 492 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [1,0,0,0,1,0|0,0,1]=3 493 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [1,0,0,0,1,0|1,0,1]=4 494 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [1,0,0,0,1,0|1,0,1]=4 495 B11R2.10 O=C1NC2=C(C=CC=C2)O1 8633 [1,0,0,0,1,0|1,0,0]=3 496 B11R2.10 O=C1NC2=C(C=CC=C2)S1 21831 [1,0,0,0,1,0|1,1,0]=4 497 B11R2.10 O=C1NC2=NC=CC=C2O1 11061 [1,0,0,0,1,0|2,0,0]=4 498 B11R2.10 SC1=NC2=C(C=CC=C2)O1 8630 [1,0,0,0,1,0|1,1,0]=4 499 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 22017 [1,0,0,0,1,0|1,0,0]=3 500 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 17145 [1,0,0,0,1,0|2,0,0]=4 501 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 15353 [1,0,0,0,1,0|1,1,0]=4 502 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 7752 [1,0,0,0,1,0|1,1,0]=4 503 B11R2.36 BrC1=CC2=C(C=CO2)C=C1 28003 [1,0,0,0,1,0|2,0,0]=4 504 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 27849 [1,0,0,0,1,0|2,0,0]=4 505 B11R2.36 BrC1=CC=C2C=CNC2=C1 1662 [1,0,0,0,1,0|2,0,0]=4 506 B11R2.36 BrC1=CC=C2NC=CC2=C1 1661 [1,0,0,0,1,0|2,0,0]=4 507 B11R2.36 BrC1=CN=C2OC=CC2=C1 26778 [1,0,0,0,1,0|2,0,0]=4 508 B11R2.36 CC1=CC2=C(C=C1)N=CN2 7666 [1,0,0,0,1,0|2,0,0]=4 509 B11R2.36 CC1=CC2=C(C=C1)OC=C2 28016 [1,0,0,0,1,0|0,0,0]=2 510 B11R2.36 CC1=CC2=C(C=C1)OC=N2 8638 [1,0,0,0,1,0|1,0,0]=3 511 B11R2.36 CC1=CC2=C(C=CS2)C=C1 15767 [1,0,0,0,1,0|1,0,0]=3 512 B11R2.36 CC1=CC=C2C=CNC2=C1 7240 [1,0,0,0,1,0|1,0,0]=3 513 B11R2.36 CC1=CC=C2NC=CC2=C1 7238 [1,0,0,0,1,0|1,0,0]=3 514 B11R2.36 CC1=CC=C2NN=CC2=C1 7832 [1,0,0,0,1,0|2,0,0]=4 515 B11R2.36 CC1=CN=C2NC=CC2=C1 27042 [1,0,0,0,1,0|2,0,0]=4 516 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 28012 [1,0,0,0,1,0|1,0,0]=3 517 B11R2.36 ClC1=CC2=C(C=C1)OC=N2 8712 [1,0,0,0,1,0|2,0,0]=4 518 B11R2.36 ClC1=CC2=C(C=CO2)C=C1 32456 [1,0,0,0,1,0|2,0,0]=4 519 B11R2.36 ClC1=CC2=C(C=CS2)C=C1 32442 [1,0,0,0,1,0|2,0,0]=4 520 B11R2.36 ClC1=CC=C2C=CNC2=C1 1669 [1,0,0,0,1,0|2,0,0]=4 521 B11R2.36 ClC1=CC=C2NC=CC2=C1 1668 [1,0,0,0,1,0|2,0,0]=4 522 B11R2.36 FC1=CC2=C(C=C1)OC=C2 16047 [1,0,0,0,1,0|1,0,0]=3 523 B11R2.36 FC1=CC2=C(C=C1)OC=N2 21888 [1,0,0,0,1,0|2,0,0]=4 524 B11R2.36 FC1=CC2=C(C=C1)SC=C2 16046 [1,0,0,0,1,0|1,1,0]=4 525 B11R2.36 FC1=CC2=C(C=CS2)C=C1 34529 [1,0,0,0,1,0|2,0,0]=4 526 B11R2.36 FC1=CC=C2C=CNC2=C1 1682 [1,0,0,0,1,0|2,0,0]=4 527 B11R2.36 FC1=CC=C2NC=CC2=C1 1681 [1,0,0,0,1,0|2,0,0]=4 528 B11R2.36 IC1=CC=C2NC=CC2=C1 27398 [1,0,0,0,1,0|2,0,0]=4 529 B11R2.36 NC1=CC2=C(C=C1)OC=N2 34838 [1,0,0,0,1,0|2,0,0]=4 530 B11R2.36 NC1=CC2=C(C=C1)SC=C2 27144 [1,0,0,0,1,0|1,1,0]=4 531 B11R2.36 NC1=CC2=C(C=CS2)C=C1 34225 [1,0,0,0,1,0|2,0,0]=4 532 B11R2.36 NC1=CC=C2C=CNC2=C1 7311 [1,0,0,0,1,0|2,0,0]=4 533 B11R2.36 NC1=CC=C2NC=CC2=C1 7234 [1,0,0,0,1,0|2,0,0]=4 534 B11R2.36 OC1=CC2=C(C=C1)OC=C2 34267 [1,0,0,0,1,0|1,0,0]=3 535 B11R2.36 OC1=CC2=C(C=CO2)C=C1 28025 [1,0,0,0,1,0|2,0,0]=4 536 B11R2.36 OC1=CC2=C(C=CS2)C=C1 33018 [1,0,0,0,1,0|2,0,0]=4 537 B11R2.36 OC1=CC=C2C=CNC2=C1 7261 [1,0,0,0,1,0|2,0,0]=4 538 B11R2.36 OC1=CC=C2NC=CC2=C1 7263 [1,0,0,0,1,0|2,0,0]=4 539 B13R1.149 CC1=CC=CC(OCCC(=O)O)=C1 19231 [0,0,1,0,0,1|0,0,2]=4 540 B13R2.33 O=C1C=NC2=C(C=CC=C2)C=N1 2017 [1,0,0,0,0,1|2,0,0]=4