0 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.20 C1=CC2=C(C=C1)NCCN2 T46643 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.20 C1=CC2=C(C=C1)OCCN2 B67657 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.20 C1=CC2=C(C=C1)SCCN2 D38749 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.20 C1=CC2=C(C=N1)CCCC2 T49977 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.20 C1=CC2=C(C=N1)CCCN2 T13324 [0,0,0,0,0,0|4,0,0]=4 8 B11R2.20 C1=CC2=C(C=N1)CCNC2 T49657 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.20 C1=CC2=C(C=N1)CCNC2 T69820 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.20 C1=CC2=C(C=N1)CNCC2 N14836 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.20 C1=CC2=C(C=N1)CNCC2 T49489 [0,0,0,0,0,0|4,0,0]=4 12 B11R2.20 C1=CC2=C(N=C1)NCCO2 D45987 [0,0,0,0,0,0|3,0,0]=3 13 B11R2.20 C1=CC=C2N=CC=NC2=C1 Q69216 [0,0,0,0,0,0|0,0,4]=4 14 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [0,0,0,0,0,0|1,0,0]=1 15 B11R2.20 C1=CN=C2CCCCC2=N1 T39429 [0,0,0,0,0,0|0,0,0]=0 16 B11R2.20 C1=CN=C2CCCNC2=C1 T32362 [0,0,0,0,0,0|2,0,0]=2 17 B11R2.20 C1=CN=C2CCNCC2=C1 T23208 [0,0,0,0,0,0|2,0,0]=2 18 B11R2.20 C1=CN=C2CCNCC2=C1 T4076 [0,0,0,0,0,0|2,0,0]=2 19 B11R2.20 C1=CN=C2CCNCC2=C1 T5331 [0,0,0,0,0,0|2,0,0]=2 20 B11R2.20 C1=CN=C2CNCCC2=C1 T13476 [0,0,0,0,0,0|2,0,0]=2 21 B11R2.20 C1=CN=C2CNCCC2=C1 T18760 [0,0,0,0,0,0|2,0,0]=2 22 B11R2.20 C1=CN=C2CNCCC2=C1 T23221 [0,0,0,0,0,0|2,0,0]=2 23 B11R2.20 C1=CN=C2N=CC=NC2=C1 P44854 [0,0,0,0,0,0|1,0,3]=4 24 B11R2.20 C1=CN=C2NCCCC2=C1 T37326 [0,0,0,0,0,0|2,0,0]=2 25 B11R2.20 C1=CN=C2NCCNC2=C1 T46338 [0,0,0,0,0,0|3,0,0]=3 26 B11R2.20 C1=CN=C2OCCNC2=C1 D13943 [0,0,0,0,0,0|3,0,0]=3 27 B11R2.20 C1=CN=C2OCCOC2=C1 D32153 [0,0,0,0,0,0|3,0,0]=3 28 B11R2.20 C1=NC=C2CCNCC2=N1 T11295 [0,0,0,0,0,0|3,0,0]=3 29 B11R2.20 C1=NC=C2CNCCC2=N1 T11293 [0,0,0,0,0,0|3,0,0]=3 30 B11R2.20 C1=NC=C2CNCCC2=N1 T1801 [0,0,0,0,0,0|3,0,0]=3 31 B11R2.20 C1=NC=C2CNCCC2=N1 T5337 [0,0,0,0,0,0|3,0,0]=3 32 B11R2.20 C1=NC=C2N=CC=NC2=C1 P61942 [0,0,0,0,0,0|1,0,3]=4 33 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 B52500 [0,1,0,0,0,0|2,0,0]=3 34 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B61360 [0,1,0,0,0,0|3,0,0]=4 35 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B8109 [0,1,0,0,0,0|3,0,0]=4 36 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 B52017 [0,1,0,0,0,0|3,0,0]=4 37 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B11621 [0,1,0,0,0,0|3,0,0]=4 38 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B5487 [0,1,0,0,0,0|3,0,0]=4 39 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 B52019 [0,1,0,0,0,0|3,0,0]=4 40 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 B14752 [0,1,0,0,0,0|3,0,0]=4 41 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 B15726 [0,1,0,0,0,0|3,0,0]=4 42 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 B14749 [0,1,0,0,0,0|3,0,0]=4 43 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 B52016 [0,1,0,0,0,0|3,0,0]=4 44 B12R2.24 BrC1=CN=C2CCCCC2=C1 B63820 [0,1,0,0,0,0|1,0,0]=2 45 B12R2.24 BrC1=CN=C2CCNCC2=C1 B4035 [0,1,0,0,0,0|2,0,0]=3 46 B12R2.24 BrC1=CN=C2CCNCC2=C1 B5101 [0,1,0,0,0,0|2,0,0]=3 47 B12R2.24 BrC1=CN=C2CNCCC2=C1 B14777 [0,1,0,0,0,0|2,0,0]=3 48 B12R2.24 BrC1=CN=C2CNCCC2=C1 B31695 [0,1,0,0,0,0|2,0,0]=3 49 B12R2.24 BrC1=CN=C2NCCOC2=C1 B38194 [0,1,0,0,0,0|3,0,0]=4 50 B12R2.24 BrC1=CN=C2OCCOC2=C1 B45348 [0,1,0,0,0,0|3,0,0]=4 51 B12R2.24 BrC1=NC2=C(C=C1)NCCC2 B37353 [0,1,0,0,0,0|2,0,0]=3 52 B12R2.24 BrC1=NC2=C(C=C1)OCCN2 B38889 [0,1,0,0,0,0|3,0,0]=4 53 B12R2.24 CC1=CC2=C(C=C1)CCCC2 M54692 [0,1,0,0,0,0|2,0,0]=3 54 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M52881 [0,1,0,0,0,0|3,0,0]=4 55 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M61207 [0,1,0,0,0,0|3,0,0]=4 56 B12R2.24 CC1=CC=C2NCCNC2=N1 M46873 [0,1,0,0,0,0|3,0,0]=4 57 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [0,1,0,0,0,0|3,0,0]=4 58 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,1,0,0,0,0|3,0,0]=4 59 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C32116 [0,1,0,0,0,0|3,0,0]=4 60 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C49776 [0,1,0,0,0,0|3,0,0]=4 61 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49772 [0,1,0,0,0,0|3,0,0]=4 62 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49779 [0,1,0,0,0,0|3,0,0]=4 63 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 C67678 [0,1,0,0,0,0|3,0,0]=4 64 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 C23914 [0,1,0,0,0,0|3,0,0]=4 65 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 C36781 [0,1,0,0,0,0|1,0,0]=2 66 B12R2.24 ClC1=NC2=C(C=C1)CCCN2 C49173 [0,1,0,0,0,0|2,0,0]=3 67 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 C4158 [0,1,0,0,0,0|2,0,0]=3 68 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 C49172 [0,1,0,0,0,0|2,0,0]=3 69 B12R2.24 ClC1=NC2=C(C=C1)NCCN2 C46061 [0,1,0,0,0,0|3,0,0]=4 70 B12R2.24 ClC1=NC2=C(C=N1)CCNC2 C19722 [0,1,0,0,0,0|3,0,0]=4 71 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 C18597 [0,1,0,0,0,0|3,0,0]=4 72 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 C5775 [0,1,0,0,0,0|3,0,0]=4 73 B12R2.24 ClC1=NN=C2CCNCC2=C1 C14032 [0,1,0,0,0,0|3,0,0]=4 74 B12R2.24 FC1=CC2=C(C=C1)CNCC2 F60960 [0,1,0,0,0,0|3,0,0]=4 75 B12R2.24 FC1=CC2=C(C=C1)NCCC2 F38792 [0,1,0,0,0,0|3,0,0]=4 76 B12R2.24 IC1=NC2=C(C=C1)OCCN2 K45719 [0,1,0,0,0,0|3,0,0]=4 77 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T63563 [0,1,0,0,0,0|3,0,0]=4 78 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T67419 [0,1,0,0,0,0|3,0,0]=4 79 B12R2.24 NC1=CC2=C(C=C1)CCNC2 T52130 [0,1,0,0,0,0|3,0,0]=4 80 B12R2.24 NC1=CN=C2CCNCC2=C1 T49518 [0,1,0,0,0,0|2,0,0]=3 81 B12R2.24 NC1=NC2=C(C=N1)CNCC2 T46596 [0,1,0,0,0,0|3,0,0]=4 82 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [0,1,0,0,0,0|2,0,0]=3 83 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 T50166 [0,1,0,0,0,0|3,0,0]=4 84 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [0,1,0,0,0,0|2,0,0]=3 85 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [0,1,0,0,0,0|2,0,0]=3 86 B12R2.24 N[C@H]1CCC2=CC=CN=C2C1 T37224 [0,1,0,0,0,0|1,0,0]=2 87 B12R2.24 O=C1C=C2CCCCC2=NN1 T62163 [0,1,0,0,0,0|2,0,0]=3 88 B12R2.24 O=C1C=CC2=C(CCNC2)N1 T39057 [0,1,0,0,0,0|2,0,1]=4 89 B12R2.24 O=C1CCC2=CC=CN=C2N1 D0689 [0,1,0,0,0,0|2,0,1]=4 90 B12R2.24 OC1=CC2=C(C=C1)CCCC2 T37096 [0,1,0,0,0,0|2,0,0]=3 91 B12R2.24 OC1=CC2=C(C=C1)CCCN2 H50029 [0,1,0,0,0,0|3,0,0]=4 92 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T38163 [0,1,0,0,0,0|3,0,0]=4 93 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T67068 [0,1,0,0,0,0|3,0,0]=4 94 B12R2.24 OC1=CC2=C(C=C1)NCCC2 H50028 [0,1,0,0,0,0|3,0,0]=4 95 B12R2.24 OC1=CN=C2CCCCC2=C1 T38906 [0,1,0,0,0,0|1,0,0]=2 96 B12R2.24 OC1=CN=C2CCNCC2=C1 T4034 [0,1,0,0,0,0|2,0,0]=3 97 B12R2.24 OC1=NC2=C(C=N1)CNCC2 T38314 [0,1,0,0,0,0|3,0,0]=4 98 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 T60427 [0,1,0,0,0,0|3,0,0]=4 99 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,1,0,0,0,0|2,0,0]=3 100 B12R2.1081 BrC1=C2CCCCC2=CC=C1 B4845 [0,1,0,0,0,0|2,0,0]=3 101 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B14750 [0,1,0,0,0,0|3,0,0]=4 102 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B49764 [0,1,0,0,0,0|3,0,0]=4 103 B12R2.1081 BrC1=C2CCCOC2=CC=C1 B52015 [0,1,0,0,0,0|3,0,0]=4 104 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B14751 [0,1,0,0,0,0|3,0,0]=4 105 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B26536 [0,1,0,0,0,0|3,0,0]=4 106 B12R2.1081 BrC1=C2CNCCC2=CC=C1 B14753 [0,1,0,0,0,0|3,0,0]=4 107 B12R2.1081 BrC1=C2CNCCC2=CC=C1 B49767 [0,1,0,0,0,0|3,0,0]=4 108 B12R2.1081 BrC1=C2NCCCC2=CC=C1 B49762 [0,1,0,0,0,0|3,0,0]=4 109 B12R2.1081 BrC1=C2OCCCC2=CC=C1 B63715 [0,1,0,0,0,0|3,0,0]=4 110 B12R2.1081 BrC1=NC=CC2=C1CCCC2 B23969 [0,1,0,0,0,0|3,0,0]=4 111 B12R2.1081 CC1=CC=CC2=C1CCCN2 M54142 [0,1,0,0,0,0|3,0,0]=4 112 B12R2.1081 CC1=CC=CC2=C1NCCC2 M52879 [0,1,0,0,0,0|3,0,0]=4 113 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [0,1,0,0,0,0|3,0,0]=4 114 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [0,1,0,0,0,0|3,0,0]=4 115 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M52878 [0,1,0,0,0,0|3,0,0]=4 116 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M54141 [0,1,0,0,0,0|3,0,0]=4 117 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.1081 ClC1=C2CCCCC2=NC=C1 C49771 [0,1,0,0,0,0|1,0,0]=2 119 B12R2.1081 ClC1=C2CCCNC2=CC=C1 C36903 [0,1,0,0,0,0|3,0,0]=4 120 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49773 [0,1,0,0,0,0|3,0,0]=4 121 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49780 [0,1,0,0,0,0|3,0,0]=4 122 B12R2.1081 ClC1=C2OCCCC2=CC=C1 C52035 [0,1,0,0,0,0|3,0,0]=4 123 B12R2.1081 FC1=C2CCCNC2=CC=C1 F5341 [0,1,0,0,0,0|3,0,0]=4 124 B12R2.1081 NC1=CC=CC2=C1CCNC2 T50168 [0,1,0,0,0,0|3,0,0]=4 125 B12R2.1081 NC1=CC=CC2=C1CCNC2 T52129 [0,1,0,0,0,0|3,0,0]=4 126 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [0,1,0,0,0,0|2,0,0]=3 127 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 T66114 [0,1,0,0,0,0|1,0,0]=2 128 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C22307 [0,1,0,0,0,0|3,0,0]=4 129 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C52103 [0,1,0,0,0,0|3,0,0]=4 130 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [0,1,0,0,0,0|2,0,0]=3 131 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 D66113 [0,1,0,0,0,0|1,0,0]=2 132 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 T52250 [0,1,0,0,0,0|1,0,0]=2 133 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 A12037 [0,1,0,0,0,0|1,0,0]=2 134 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 T50167 [0,1,0,0,0,0|3,0,0]=4 135 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C22029 [0,1,0,0,0,0|3,0,0]=4 136 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52100 [0,1,0,0,0,0|3,0,0]=4 137 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52104 [0,1,0,0,0,0|3,0,0]=4 138 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 T37381 [0,1,0,0,0,0|3,0,0]=4 139 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 C63239 [0,1,0,0,0,0|3,0,0]=4 140 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 D4046 [0,1,0,0,0,0|3,0,0]=4 141 B12R2.1081 O=C1CCCC2=C1C=CC=N2 D0654 [0,1,0,0,0,0|1,0,1]=3 142 B12R2.1081 O=C1CCCC2=CC=CN=C12 D51765 [0,1,0,0,0,0|1,0,1]=3 143 B12R2.1081 O=C1CCOC2=CC=CN=C12 P48464 [0,1,0,0,0,0|2,0,1]=4 144 B12R2.1081 O=C1NC=NC2=C1CCNC2 T4088 [0,1,0,0,0,0|3,0,0]=4 145 B12R2.1081 O=C1NCCC2=C1C=CC=N2 D48818 [0,1,0,0,0,0|2,0,1]=4 146 B12R2.1081 O=C1NCCC2=CC=CN=C12 D48817 [0,1,0,0,0,0|2,0,1]=4 147 B12R2.1081 OC1=C2CCCCC2=NC=C1 T63204 [0,1,0,0,0,0|1,0,0]=2 148 B12R2.1081 OC1=C2NCCCC2=CC=C1 H67535 [0,1,0,0,0,0|3,0,0]=4 149 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [0,1,0,0,0,0|2,0,0]=3 150 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 T50023 [0,1,0,0,0,0|1,0,0]=2 151 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 T50022 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [0,0,1,0,0,0|3,0,0]=4 153 B10R1.4 CCNC1=NC=CN=C1N E63353 [0,0,1,0,0,0|2,0,0]=3 154 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [0,0,1,0,0,0|3,0,0]=4 155 B10R1.4 CCOC1=NC=CN=C1Br B43051 [0,0,1,0,0,0|2,0,0]=3 156 B10R1.4 CCOC1=NC=CN=C1N A36915 [0,0,1,0,0,0|2,0,0]=3 157 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [0,0,1,0,0,0|3,0,0]=4 158 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [0,0,1,0,0,0|3,0,0]=4 159 B10R1.4 N#CCC1=NC=CN=C1Cl C11546 [0,0,1,0,0,0|2,0,1]=4 160 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [0,0,1,0,0,0|3,0,0]=4 161 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [0,0,1,0,0,0|3,0,0]=4 162 B10R1.17 CCCCC1=CC=NC=C1 B50306 [0,0,1,0,0,0|3,0,0]=4 163 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [0,0,1,0,0,0|3,0,0]=4 164 B10R1.17 CCCOC1=CC=CC=C1 P50263 [0,0,1,0,0,0|3,0,0]=4 165 B10R1.17 CCNCC1=CC=CC=C1 B39547 [0,0,1,0,0,0|3,0,0]=4 166 B10R1.17 CCNCC1=NC=CC=C1 P46970 [0,0,1,0,0,0|2,0,0]=3 167 B10R1.17 CCOCC1=CC=CC=C1 E50267 [0,0,1,0,0,0|3,0,0]=4 168 B10R1.17 CNCCC1=CC=CN=C1 M46974 [0,0,1,0,0,0|2,0,0]=3 169 B10R1.17 NCCOC1=NC=CC=C1 P43633 [0,0,1,0,0,0|3,0,0]=4 170 B10R1.17 OCCCC1=NC=CC=C1 P62447 [0,0,1,0,0,0|2,0,0]=3 171 B10R1.17 OCCCC1=NC=CC=C1 P7829 [0,0,1,0,0,0|2,0,0]=3 172 B10R1.17 OCCSC1=NC=CC=C1 P46439 [0,0,1,0,0,0|3,0,0]=4 173 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [0,0,1,0,0,0|3,0,0]=4 174 B10R1.20 CCC1=C(CO)C=CC=C1 E50269 [0,0,1,0,0,0|3,0,0]=4 175 B10R1.20 CCC1=NC=CN=C1OC E43629 [0,0,1,0,0,0|1,0,0]=2 176 B10R1.20 CNC1=C(CO)C=CC=N1 M43647 [0,0,1,0,0,0|3,0,0]=4 177 B10R1.20 COC1=C(CBr)C=CC=N1 B26711 [0,0,1,0,0,0|3,0,0]=4 178 B10R1.20 COC1=C(CBr)C=CC=N1 B46181 [0,0,1,0,0,0|3,0,0]=4 179 B10R1.20 COC1=C(CN)N=CC=C1 M46464 [0,0,1,0,0,0|3,0,0]=4 180 B10R1.20 COC1=C(CO)N=CC=C1 M46400 [0,0,1,0,0,0|3,0,0]=4 181 B10R1.20 COC1=CC=CN=C1OC D1095 [0,0,1,0,0,0|3,0,0]=4 182 B10R1.20 COC1=NC=CC=C1CN A12723 [0,0,1,0,0,0|3,0,0]=4 183 B10R1.20 COC1=NC=CC=C1CN A7689 [0,0,1,0,0,0|3,0,0]=4 184 B10R1.20 COC1=NC=CC=C1CO M12722 [0,0,1,0,0,0|3,0,0]=4 185 B10R1.20 COC1=NC=CN=C1CN M43353 [0,0,1,0,0,0|2,0,0]=3 186 B10R1.20 COC1=NC=CN=C1NN H41209 [0,0,1,0,0,0|3,0,0]=4 187 B10R1.20 ClCC1=CC=CN=C1CCl B62022 [0,0,1,0,0,0|3,0,0]=4 188 B10R1.20 ClCC1=NC=CN=C1CCl B42742 [0,0,1,0,0,0|2,0,0]=3 189 B10R1.20 NCC1=C(CO)C=CC=N1 A46594 [0,0,1,0,0,0|3,0,0]=4 190 B10R2.7 C1=C2NCCCC2=NN1 T5370 [0,0,0,0,1,0|2,0,0]=3 191 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [0,0,0,0,1,0|3,0,0]=4 192 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [0,0,0,0,1,0|3,0,0]=4 193 B10R2.7 C1=CC2=C(CCCC2)N1 I19039 [0,0,0,0,1,0|0,0,1]=2 194 B10R2.7 C1=CC2=C(CCNC2)S1 T15619 [0,0,0,0,1,0|2,0,0]=3 195 B10R2.7 C1=CC2=C(CNCC2)S1 T4039 [0,0,0,0,1,0|2,0,0]=3 196 B10R2.7 C1=CN2CCCNC2=N1 T43548 [0,0,0,0,1,0|2,0,0]=3 197 B10R2.7 C1=CN2CCNCC2=C1 T14626 [0,0,0,0,1,0|3,0,0]=4 198 B10R2.7 C1=CN2CCNCC2=N1 T4077 [0,0,0,0,1,0|2,0,0]=3 199 B10R2.7 C1=CN2CCNCC2=N1 T43344 [0,0,0,0,1,0|2,0,0]=3 200 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [0,0,0,0,1,0|1,0,0]=2 201 B10R2.7 C1=CN=C2CNCC2=C1 D12180 [0,0,0,0,1,0|2,0,0]=3 202 B10R2.7 C1=CN=C2CNCC2=C1 D3602 [0,0,0,0,1,0|2,0,0]=3 203 B10R2.7 C1=CN=C2NC=CC2=N1 P7478 [0,0,0,0,1,0|1,0,2]=4 204 B10R2.7 C1=CN=C2NC=NC2=N1 K40813 [0,0,0,0,1,0|2,0,1]=4 205 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [0,0,0,0,1,0|2,0,0]=3 206 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [0,0,0,0,1,0|2,0,0]=3 207 B10R2.7 C1=CN=C2NN=CC2=N1 P6228 [0,0,0,0,1,0|2,0,1]=4 208 B10R2.7 C1=CN=C2SC=CC2=N1 T42141 [0,0,0,0,1,0|1,0,2]=4 209 B10R2.7 C1=NC2=C(CCCC2)N1 B9938 [0,0,0,0,1,0|0,0,1]=2 210 B10R2.7 C1=NC2=C(CNCC2)N1 T4238 [0,0,0,0,1,0|1,0,1]=3 211 B10R2.7 C1=NC2=C(CNCC2)N1 T43575 [0,0,0,0,1,0|1,0,1]=3 212 B10R2.7 C1=NC=C2CNCC2=N1 D14103 [0,0,0,0,1,0|3,0,0]=4 213 B10R2.7 C1=NN2CCCCC2=C1 T43624 [0,0,0,0,1,0|1,0,0]=2 214 B10R2.7 C1=NN2CCCNC2=C1 T4033 [0,0,0,0,1,0|2,0,0]=3 215 B10R2.7 C1=NN2CCNCC2=C1 P21692 [0,0,0,0,1,0|2,0,0]=3 216 B10R2.7 C1=NN2CCNCC2=C1 P31055 [0,0,0,0,1,0|2,0,0]=3 217 B10R2.7 C1=NN2CCNCC2=N1 T41208 [0,0,0,0,1,0|2,0,0]=3 218 B10R2.7 C1=NN=C2CNCCN12 T31071 [0,0,0,0,1,0|3,0,0]=4 219 B10R2.7 C1=NN=C2CNCCN12 T4031 [0,0,0,0,1,0|3,0,0]=4 220 B10R2.7 C1=NN=C2CNCCN12 T7844 [0,0,0,0,1,0|3,0,0]=4 221 B10R2.7 C1=NNC2=C1CCCC2 I22516 [0,0,0,0,1,0|1,0,1]=3 222 B10R2.7 C1=NNC2=C1CCNC2 T43576 [0,0,0,0,1,0|2,0,1]=4 223 B10R2.7 C1=NNC2=C1CNCC2 T8859 [0,0,0,0,1,0|2,0,1]=4 224 B12R2.41 C1=CC2=C(C=C1)CCNCC2 T10517 [0,0,0,0,0,1|2,0,0]=3 225 B12R2.41 C1=CC2=C(C=C1)CNCCC2 T69161 [0,0,0,0,0,1|2,0,0]=3 226 B12R2.41 C1=CC2=C(C=C1)NCCCC2 T32455 [0,0,0,0,0,1|2,0,0]=3 227 B12R2.41 C1=CC2=C(C=C1)OCCNC2 T50030 [0,0,0,0,0,1|3,0,0]=4 228 B12R2.41 C1=CN=C2CCNCCC2=C1 P59935 [0,0,0,0,0,1|1,0,0]=2 229 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,0,1,0,0,0|1,0,0]=3 230 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,0,1,0,0,0|0,0,0]=2 231 B9R1.8 CCNC1=NC=CN=C1 E43330 [1,0,1,0,0,0|1,0,0]=3 232 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,0,1,0,0,0|2,0,0]=4 233 B9R1.8 CNCC1=NC=CN=C1 M14584 [1,0,1,0,0,0|1,0,0]=3 234 B9R1.8 COCC1=NC=CC=C1 M46377 [1,0,1,0,0,0|2,0,0]=4 235 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,0,1,0,0,0|2,0,0]=4 236 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,0,1,0,0,0|2,0,0]=4 237 B9R1.8 NNCC1=NC=CN=C1 H7534 [1,0,1,0,0,0|2,0,0]=4 238 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,0,1,0,0,0|2,0,0]=4 239 B9R1.8 OCCC1=NC=CN=C1 P24824 [1,0,1,0,0,0|1,0,0]=3 240 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [1,0,1,0,0,0|2,0,0]=4 241 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [1,0,1,0,0,0|2,0,0]=4 242 B9R1.15 CC1=CC=CN=C1CCl C14758 [1,0,1,0,0,0|2,0,0]=4 243 B9R1.15 CC1=CC=CN=C1CCl C46105 [1,0,1,0,0,0|2,0,0]=4 244 B9R1.15 CC1=CC=CN=C1CN M46460 [1,0,1,0,0,0|2,0,0]=4 245 B9R1.15 CC1=CC=CN=C1CO H46388 [1,0,1,0,0,0|2,0,0]=4 246 B9R1.15 CC1=NC=CN=C1C=O M14617 [1,0,1,0,0,0|1,0,1]=4 247 B9R1.15 CC1=NC=CN=C1CCl C14615 [1,0,1,0,0,0|1,0,0]=3 248 B9R1.15 CC1=NC=CN=C1CN A11549 [1,0,1,0,0,0|1,0,0]=3 249 B9R1.15 CC1=NC=CN=C1CO H14616 [1,0,1,0,0,0|1,0,0]=3 250 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [1,0,1,0,0,0|2,0,0]=4 251 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [1,0,1,0,0,0|2,0,0]=4 252 B9R1.15 CCC1=NC=CN=C1C E43603 [1,0,1,0,0,0|0,0,0]=2 253 B9R1.15 CCC1=NC=CN=C1Cl C38966 [1,0,1,0,0,0|1,0,0]=3 254 B9R1.15 CCC1=NC=CN=C1N E43328 [1,0,1,0,0,0|1,0,0]=3 255 B9R1.15 CCC1=NC=CNC1=O E43188 [1,0,1,0,0,0|1,0,1]=4 256 B9R1.15 CNC1=NC=CN=C1N M63361 [1,0,1,0,0,0|2,0,0]=4 257 B9R1.15 COC1=NC=CC=C1C M46378 [1,0,1,0,0,0|2,0,0]=4 258 B9R1.15 COC1=NC=CN=C1Br B40912 [1,0,1,0,0,0|2,0,0]=4 259 B9R1.15 COC1=NC=CN=C1C M39278 [1,0,1,0,0,0|1,0,0]=3 260 B9R1.15 COC1=NC=CN=C1Cl C1053 [1,0,1,0,0,0|2,0,0]=4 261 B9R1.15 COC1=NC=CN=C1I I3006 [1,0,1,0,0,0|2,0,0]=4 262 B9R1.15 COC1=NC=CN=C1N M32096 [1,0,1,0,0,0|2,0,0]=4 263 B9R1.15 CSC1=NC=CN=C1C M43263 [1,0,1,0,0,0|1,0,0]=3 264 B9R1.15 ClCC1=NC=CN=C1Cl C12594 [1,0,1,0,0,0|2,0,0]=4 265 B9R1.15 NCC1=NC=CN=C1Cl C25893 [1,0,1,0,0,0|2,0,0]=4 266 B9R1.15 NCC1=NC=CN=C1Cl C26687 [1,0,1,0,0,0|2,0,0]=4 267 B9R1.15 O=CC1=C(Cl)CCCC1 C46451 [1,0,1,0,0,0|2,0,0]=4 268 B9R1.15 OCC1=NC=CN=C1Cl C1612 [1,0,1,0,0,0|2,0,0]=4 269 B11R1.81 CCOC1=C(C)N=C(N)C=C1 E46978 [0,1,1,0,0,0|2,0,0]=4 270 B11R1.86 CC1=NC=CN=C1CC(C)C B50395 [0,1,1,0,0,0|0,0,0]=2 271 B11R1.182 CCOC1=C(N)N=CC(Br)=N1 A69486 [0,1,1,0,0,0|2,0,0]=4 272 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [0,1,1,0,0,0|2,0,0]=4 273 B11R1.222 COC(=O)C1=NC=CN=C1C M23587 [0,1,1,0,0,0|1,0,1]=4 274 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [0,1,1,0,0,0|2,0,0]=4 275 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [0,1,1,0,0,0|2,0,0]=4 276 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [0,1,1,0,0,0|2,0,0]=4 277 B11R1.1 CCOCC1=CN=C(Cl)C=C1 C62281 [0,1,1,0,0,0|2,0,0]=4 278 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [0,1,1,0,0,0|1,0,1]=4 279 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [0,1,1,0,0,0|1,0,1]=4 280 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [0,1,1,0,0,0|2,0,0]=4 281 B11R1.16 CCOC(=O)C1=NC=CN=C1 E24926 [0,1,1,0,0,0|1,0,1]=4 282 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 P46920 [0,1,1,0,0,0|2,0,0]=4 283 B11R1.24 CCCOC1=NC(C)=CN=C1 M46976 [0,1,1,0,0,0|1,0,0]=3 284 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [0,1,1,0,0,0|2,0,0]=4 285 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [0,1,1,0,0,0|1,0,0]=3 286 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [0,1,1,0,0,0|1,0,0]=3 287 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [0,1,1,0,0,0|2,0,0]=4 288 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [0,1,1,0,0,0|1,0,0]=3 289 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [0,1,1,0,0,0|2,0,0]=4 290 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [0,1,1,0,0,0|1,0,0]=3 291 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [0,1,1,0,0,0|1,0,0]=3 292 B11R1.40 COC(=O)CC1=NC=CN=C1 M12293 [0,1,1,0,0,0|1,0,1]=4 293 B11R1.37 CCC1=NC=C(C)N=C1CC D50396 [0,1,1,0,0,0|0,0,0]=2 294 B11R1.37 COC1=C(OC)N=C(Br)C=N1 B43030 [0,1,1,0,0,0|2,0,0]=4 295 B11R1.53 CCC1=NC=CN=C1C(C)=O E46656 [0,1,1,0,0,0|0,0,1]=3 296 B11R2.1 BrC1=CN=C2CCCCN12 B38146 [0,1,0,0,1,0|1,0,0]=3 297 B11R2.1 BrC1=CN=C2CNCCN12 B10989 [0,1,0,0,1,0|2,0,0]=4 298 B11R2.1 BrC1=CN=C2CNCCN12 B4584 [0,1,0,0,1,0|2,0,0]=4 299 B11R2.1 BrC1=CSC2=C1CNCC2 B30059 [0,1,0,0,1,0|2,0,0]=4 300 B11R2.1 BrC1=NNC2=C1CCCC2 B17975 [0,1,0,0,1,0|1,0,1]=4 301 B11R2.1 CN1C=NC2=C1CCNC2 M62081 [0,1,0,0,1,0|1,0,1]=4 302 B11R2.1 C[C@H]1CCC2=NC=CN=C21 M46644 [0,1,0,0,1,0|0,0,0]=2 303 B11R2.1 ClC1=NN=C2CCCCN12 C37363 [0,1,0,0,1,0|2,0,0]=4 304 B11R2.1 ClC1=NNC2=C1CCCC2 C69702 [0,1,0,0,1,0|1,0,1]=4 305 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [0,1,0,0,1,0|2,0,0]=4 306 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [0,1,0,0,1,0|2,0,0]=4 307 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [0,1,0,0,1,0|2,0,0]=4 308 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D49490 [0,1,0,0,1,0|1,0,0]=3 309 B11R2.1 N[C@H]1COC2=NC=CC=C21 D64566 [0,1,0,0,1,0|2,0,0]=4 310 B11R2.1 O=C1CCC2=C1C=CC=N2 D5364 [0,1,0,0,1,0|1,0,1]=4 311 B11R2.1 O=C1CCC2=CC=CN=C12 C48452 [0,1,0,0,1,0|1,0,1]=4 312 B11R2.1 O=C1NNC2=C1CCCC2 T69676 [0,1,0,0,1,0|1,0,1]=4 313 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [0,1,0,0,1,0|2,0,0]=4 314 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [0,1,0,0,1,0|2,0,0]=4 315 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [0,1,0,0,1,0|2,0,0]=4 316 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D67550 [0,1,0,0,1,0|1,0,0]=3 317 B11R2.10 BrC1=NC2=C(CNCC2)S1 B4047 [0,1,0,0,1,0|2,0,0]=4 318 B11R2.10 BrC1CC2=C(C=CC=C2)C1 B51667 [0,1,0,0,1,0|2,0,0]=4 319 B11R2.10 CC1=NC2=C(CCNC2)N1 M25339 [0,1,0,0,1,0|1,0,1]=4 320 B11R2.10 CC1=NC2=C(CCNC2)O1 M46467 [0,1,0,0,1,0|2,0,0]=4 321 B11R2.10 CC1=NC2=C(CNCC2)N1 M38898 [0,1,0,0,1,0|1,0,1]=4 322 B11R2.10 CC1=NC2=C(CNCC2)N1 M46472 [0,1,0,0,1,0|1,0,1]=4 323 B11R2.10 CC1=NC2=C(CNCC2)S1 T43688 [0,1,0,0,1,0|2,0,0]=4 324 B11R2.10 CN1C=C2CNCCC2=N1 T46599 [0,1,0,0,1,0|2,0,0]=4 325 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 D64809 [0,1,0,0,1,0|2,0,0]=4 326 B11R2.10 ClC1=NC2=C(COCC2)S1 C5933 [0,1,0,0,1,0|2,0,0]=4 327 B11R2.10 NC1=CC2=C(CCCC2)S1 T54076 [0,1,0,0,1,0|1,0,0]=3 328 B11R2.10 NC1=NC2=C(CCCC2)S1 T61596 [0,1,0,0,1,0|1,0,0]=3 329 B11R2.10 NC1=NC2=C(COCC2)S1 D1973 [0,1,0,0,1,0|2,0,0]=4 330 B11R2.10 NC1=NC2=C(COCC2)S1 D67553 [0,1,0,0,1,0|2,0,0]=4 331 B11R2.10 OC1CC2=C(C=CC=C2)C1 D67665 [0,1,0,0,1,0|2,0,0]=4 332 B11R2.36 BrC1=CN=C2CNCC2=C1 B11679 [0,1,0,0,1,0|2,0,0]=4 333 B11R2.36 BrC1=CN=C2CNCC2=C1 B11680 [0,1,0,0,1,0|2,0,0]=4 334 B11R2.36 BrC1=CN=C2NCCC2=C1 B12242 [0,1,0,0,1,0|2,0,0]=4 335 B11R2.36 BrC1=CN=C2NCCC2=C1 B30154 [0,1,0,0,1,0|2,0,0]=4 336 B11R2.36 BrC1=NC2=C(C=C1)NCC2 B45617 [0,1,0,0,1,0|2,0,0]=4 337 B11R2.36 CN1CCC2=C(C1)NC=N2 M46597 [0,1,0,0,1,0|1,0,1]=4 338 B11R2.36 CN1CCC2=C(C1)SC=N2 M43689 [0,1,0,0,1,0|2,0,0]=4 339 B11R2.36 ClC1=CN=C2NCCC2=C1 C45621 [0,1,0,0,1,0|2,0,0]=4 340 B11R2.36 ClC1=NC2=C(C=C1)CCC2 C48882 [0,1,0,0,1,0|1,0,0]=3 341 B11R2.36 ClC1=NC2=C(C=C1)CNC2 C25491 [0,1,0,0,1,0|2,0,0]=4 342 B11R2.36 ClC1=NC2=C(C=N1)CCC2 C37147 [0,1,0,0,1,0|2,0,0]=4 343 B11R2.36 FC1=CC2=C(C=C1)CCC2 F51669 [0,1,0,0,1,0|2,0,0]=4 344 B11R2.36 FC1=CN=C2CNCC2=C1 F18831 [0,1,0,0,1,0|2,0,0]=4 345 B11R2.36 IC1=CC2=C(C=C1)CCC2 K64448 [0,1,0,0,1,0|2,0,0]=4 346 B11R2.36 N[C@H]1CCC2=C(C=NN2)C1 T61876 [0,1,0,0,1,0|1,0,1]=4 347 B11R2.36 O[C@@H]1COC2=NC=CN2C1 D62363 [0,1,0,0,1,0|2,0,0]=4 348 B11R2.36 O[C@H]1CCC2=NC=CN2C1 T37484 [0,1,0,0,1,0|1,0,0]=3 349 B11R2.106 BrC1=C2CCCC2=CC=C1 B10979 [0,1,0,0,1,0|2,0,0]=4 350 B11R2.106 BrC1=C2CCNC2=NC=C1 B19352 [0,1,0,0,1,0|2,0,0]=4 351 B11R2.106 CC1=C2CCCC2=CC=C1 M52674 [0,1,0,0,1,0|2,0,0]=4 352 B11R2.106 C[C@H]1CCNC2=CC=NN21 M63835 [0,1,0,0,1,0|2,0,0]=4 353 B11R2.106 C[C@H]1CNCC2=CC=NN21 M20706 [0,1,0,0,1,0|2,0,0]=4 354 B11R2.106 ClC1=C2CCCC2=NC=C1 C48883 [0,1,0,0,1,0|1,0,0]=3 355 B11R2.106 ClC1=C2CCNC2=NC=C1 C30162 [0,1,0,0,1,0|2,0,0]=4 356 B11R2.106 ClC1=NC=NC2=C1CCC2 C13916 [0,1,0,0,1,0|2,0,0]=4 357 B11R2.106 FC1=C2CCOC2=NC=C1 F30045 [0,1,0,0,1,0|2,0,0]=4 358 B11R2.106 IC1=C2CCCC2=CC=C1 K51671 [0,1,0,0,1,0|2,0,0]=4 359 B11R2.106 O=C1CCCC2=C1C=CO2 D49075 [0,1,0,0,1,0|1,0,1]=4 360 B11R2.106 O=C1CCCC2=C1C=CS2 B13835 [0,1,0,0,1,0|1,0,1]=4 361 B11R2.106 O=C1CCCC2=C1SC=N2 D45890 [0,1,0,0,1,0|1,0,1]=4 362 B11R2.106 O=C1CCCC2=NNC=C12 T60555 [0,1,0,0,1,0|1,0,1]=4 363 B11R2.106 O=C1CCCN2N=CC=C12 D45989 [0,1,0,0,1,0|1,0,1]=4 364 B11R2.106 O=C1NC=NC2=C1CCC2 T14805 [0,1,0,0,1,0|2,0,0]=4 365 B11R2.106 OC1=C2CCCC2=CC=C1 K49868 [0,1,0,0,1,0|2,0,0]=4 366 B11R2.106 OC1=C2CCNC2=NC=C1 D62930 [0,1,0,0,1,0|2,0,0]=4 367 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 D54551 [0,1,0,0,0,1|2,0,0]=4 368 B13R2.163 O=C1CCCC2=CC=CN=C2N1 D49730 [0,1,0,0,0,1|1,0,1]=4 369 B13R2.3729 BrC1=CC2=C(C=C1)CCCCN2 B52729 [0,1,0,0,0,1|2,0,0]=4 370 B13R2.3729 BrC1=CC2=C(C=C1)CCCNC2 B52730 [0,1,0,0,0,1|2,0,0]=4 371 B13R2.3729 FC1=CC2=C(C=C1)CNCCC2 F54128 [0,1,0,0,0,1|2,0,0]=4 372 B13R2.32 NC1CCC2=C(C=CC=C2)C1O A37316 [0,2,0,0,0,0|2,0,0]=4 373 B13R2.57 C#CC1=CC2=C(C=C1)CCCC2 E64380 [0,2,0,0,0,0|2,0,0]=4 374 B13R2.57 NCC1=CC=C2CCCNC2=N1 T50324 [0,2,0,0,0,0|2,0,0]=4 375 B13R2.155 CN1CCC2=NC=C(N)C=C2C1 A50325 [0,2,0,0,0,0|2,0,0]=4 376 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 B52728 [0,2,0,0,0,0|2,0,0]=4 377 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 B52740 [0,2,0,0,0,0|2,0,0]=4 378 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 F52752 [0,2,0,0,0,0|2,0,0]=4 379 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N M55488 [0,2,0,0,0,0|2,0,0]=4 380 B13R2.162 NC1=CC2=C(C=C1)CCC[C@@H]2O A52930 [0,2,0,0,0,0|2,0,0]=4 381 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 B36947 [0,2,0,0,0,0|2,0,0]=4 382 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 B52739 [0,2,0,0,0,0|2,0,0]=4 383 B13R2.162 O=C1CCCC2=NC=C(Cl)C=C12 C51526 [0,2,0,0,0,0|1,0,1]=4 384 B13R2.328 CC1=NC2=C(CCCC2)C(O)=N1 M50175 [0,2,0,0,0,0|2,0,0]=4 385 B13R2.328 ClC1=CC(Cl)=NC2=C1CCCC2 D25753 [0,2,0,0,0,0|1,0,0]=3 386 B13R2.328 ClC1=NC(Cl)=C2CCCCC2=N1 D16674 [0,2,0,0,0,0|2,0,0]=4 387 B13R2.328 O=C1C=C(O)C2=C(CCCC2)N1 H24303 [0,2,0,0,0,0|1,0,1]=4 388 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 B52726 [0,2,0,0,0,0|2,0,0]=4 389 B13R2.3683 O[C@H]1CCC2=C(C=CC(Br)=C2)C1 B37785 [0,2,0,0,0,0|2,0,0]=4 390 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 M55487 [0,2,0,0,0,0|2,0,0]=4 391 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 B32355 [0,2,0,0,0,0|2,0,0]=4 392 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 B52738 [0,2,0,0,0,0|2,0,0]=4 393 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 C52743 [0,2,0,0,0,0|2,0,0]=4 394 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 F54129 [0,2,0,0,0,0|2,0,0]=4 395 B13R2.5179 O=C1CCCC2=C1C=CC(Cl)=N2 C51525 [0,2,0,0,0,0|1,0,1]=4 396 B13R2.5179 O[C@H]1CCCC2=C1C=CC(F)=C2 F63760 [0,2,0,0,0,0|2,0,0]=4 397 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N M55486 [0,2,0,0,0,0|2,0,0]=4 398 B13R2.342 CC1=CC=CC2=C1CCC[C@H]2N M54825 [0,2,0,0,0,0|2,0,0]=4 399 B13R2.342 N[C@@H]1CCCC2=C(Br)C=CC=C21 B63754 [0,2,0,0,0,0|2,0,0]=4 400 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 B52725 [0,2,0,0,0,0|2,0,0]=4 401 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 B52737 [0,2,0,0,0,0|2,0,0]=4 402 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 B52742 [0,2,0,0,0,0|2,0,0]=4 403 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 F52751 [0,2,0,0,0,0|2,0,0]=4 404 B13R2.1613 N#C[C@H]1CCCC2=C1C=CC=C2 T54377 [0,2,0,0,0,0|2,0,0]=4 405 B13R2.1613 O=CC1=C2CCCCC2=CC=C1 T54552 [0,2,0,0,0,0|2,0,0]=4 406 B13R2.1613 OCC1=C2CCCCC2=CC=C1 T54761 [0,2,0,0,0,0|2,0,0]=4 407 B13R2.1613 O\N=C1/CCCC2=CC=CN=C21 D65194 [0,2,0,0,0,0|1,0,1]=4 408 B11R2.55 BrC1=C(C2CC2)N=CC=C1 B48876 [0,0,1,1,0,0|2,0,0]=4 409 B11R2.55 BrC1=NC=CC=C1C2CC2 B48874 [0,0,1,1,0,0|2,0,0]=4 410 B11R2.55 ClC1=NC=CC=C1C2CC2 C48880 [0,0,1,1,0,0|2,0,0]=4 411 B11R2.55 FC1=NC=CC=C1C2CC2 C48886 [0,0,1,1,0,0|2,0,0]=4 412 B11R2.55 NC1=NC=CC=C1C2CC2 C46639 [0,0,1,1,0,0|2,0,0]=4 413 B11R2.239 C1=CN=C(C2CNC2)C=N1 A46337 [0,0,1,1,0,0|1,0,0]=3 414 B11R2.239 C1=CN=CC(C2CNC2)=C1 A49655 [0,0,1,1,0,0|2,0,0]=4 415 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 T63009 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.33 CC1=C(CCN)SC=N1 M3229 [0,0,1,0,1,0|2,0,0]=4 417 B9R1.33 CC1=C(CCO)N=CS1 M43392 [0,0,1,0,1,0|2,0,0]=4 418 B9R1.33 CC1=C(CCO)SC=N1 M68882 [0,0,1,0,1,0|2,0,0]=4 419 B9R1.33 CC1=NC=CN1CCN M43556 [0,0,1,0,1,0|2,0,0]=4 420 B9R1.33 CCOC1=C(C)N=CO1 E43381 [0,0,1,0,1,0|2,0,0]=4 421 B9R1.12 CCCCC1=CSC=C1 B47048 [0,0,1,0,1,0|1,0,0]=3 422 B9R1.12 CCCCC1=NC=CN1 B43788 [0,0,1,0,1,0|0,0,1]=3 423 B9R1.12 CCOCC1=CC=CO1 E38338 [0,0,1,0,1,0|2,0,0]=4 424 B9R1.12 ClCCCN1C=CN=C1 C43325 [0,0,1,0,1,0|2,0,0]=4 425 B9R1.12 ICCCC1=CC=CS1 K46278 [0,0,1,0,1,0|2,0,0]=4 426 B9R1.12 OCCCC1=CC=CS1 T36724 [0,0,1,0,1,0|2,0,0]=4 427 B9R2.3 C1=CN2CCCC2=N1 D63557 [0,0,0,0,2,0|1,0,0]=3 428 B9R2.3 C1=NN2CCCC2=C1 D16430 [0,0,0,0,2,0|1,0,0]=3 429 B9R2.3 C1=NNC2=C1CCC2 C15794 [0,0,0,0,2,0|1,0,1]=4 430 B9R2.50 C1=CC2=C(C=C1)CC2 B68912 [0,0,0,0,2,0|2,0,0]=4 431 B13R2.67 C1=CC2=C(C=C1)NCCCNC2 H53029 [0,0,0,0,0,2|2,0,0]=4