0 B11R2.2 c1cc(c[nH]1)c2ccon2 WXVL_LR0685BT5115 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.2 c1cc(c[nH]1)c2cnc[nH]2 WXVL_LR0418BT5115 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.2 c1cc(c[nH]1)c2nc[nH]n2 WXVL_LR0419BT5115 [0,0,0,0,0,0|3,0,1]=4 3 B11R2.2 c1cc(co1)c2ccon2 WXVL_LR0685BT1598 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.2 c1cc(n[nH]1)c2ccon2 WXVL_LR0685BT0902 [0,0,0,0,0,0|2,0,2]=4 5 B11R2.2 c1cc(n[nH]1)c2cnc[nH]2 WXVL_LR0418BT0902 [0,0,0,0,0,0|2,0,1]=3 6 B11R2.2 c1cc(n[nH]1)c2nc[nH]n2 WXVL_LR0419BT0902 [0,0,0,0,0,0|2,0,2]=4 7 B11R2.2 c1cc(no1)c2ccsc2 WXVL_LR0685BT1561 [0,0,0,0,0,0|4,0,0]=4 8 B11R2.2 c1cc(no1)c2cncs2 WXVL_LR0685BT0771 [0,0,0,0,0,0|2,1,1]=4 9 B11R2.2 c1cc(no1)c2cscn2 WXVL_LR0685BT0962 [0,0,0,0,0,0|3,0,1]=4 10 B11R2.2 c1coc(c1)c2cccs2 WXVL_LR0498BT1995 [0,0,0,0,0,0|3,0,0]=3 11 B11R2.2 c1coc(c1)c2ccon2 WXVL_LR0685BT1995 [0,0,0,0,0,0|3,0,0]=3 12 B11R2.2 c1coc(c1)c2cn[nH]n2 WXVL_LR0395BT1995 [0,0,0,0,0,0|3,0,1]=4 13 B11R2.2 c1coc(c1)c2cnc[nH]2 WXVL_LR0418BT1995 [0,0,0,0,0,0|3,0,0]=3 14 B11R2.2 c1coc(c1)c2cnoc2 WXVL_LR0706BT1995 [0,0,0,0,0,0|4,0,0]=4 15 B11R2.2 c1coc(c1)c2cnsc2 WXVL_LR0652BT1995 [0,0,0,0,0,0|4,0,0]=4 16 B11R2.2 c1coc(c1)c2nc[nH]n2 WXVL_LR0419BT1995 [0,0,0,0,0,0|2,0,1]=3 17 B11R2.2 c1coc(c1)c2ncns2 WXVL_LR0623BT1995 [0,0,0,0,0,0|3,0,0]=3 18 B11R2.2 c1csc(c1)c2cc[nH]c2 WXVL_LR0498BT5115 [0,0,0,0,0,0|3,0,1]=4 19 B11R2.2 c1csc(c1)c2cc[nH]n2 WXVL_LR0498BT0902 [0,0,0,0,0,0|2,0,1]=3 20 B11R2.2 c1csc(c1)c2cccs2 WXVL_LR0498BT1547 [0,0,0,0,0,0|3,1,0]=4 21 B11R2.2 c1csc(c1)c2cccs2 WXVL_LR0498BT4023 [0,0,0,0,0,0|3,1,0]=4 22 B11R2.2 c1csc(c1)c2cccs2 WXVL_LR0498BT5079 [0,0,0,0,0,0|3,1,0]=4 23 B11R2.2 c1csc(c1)c2ccoc2 WXVL_LR0498BT1598 [0,0,0,0,0,0|4,0,0]=4 24 B11R2.2 c1csc(c1)c2ccon2 WXVL_LR0685BT1547 [0,0,0,0,0,0|3,0,0]=3 25 B11R2.2 c1csc(c1)c2ccon2 WXVL_LR0685BT4023 [0,0,0,0,0,0|3,0,0]=3 26 B11R2.2 c1csc(c1)c2ccon2 WXVL_LR0685BT5079 [0,0,0,0,0,0|3,0,0]=3 27 B11R2.2 c1csc(c1)c2ccsc2 WXVL_LR0498BT1561 [0,0,0,0,0,0|4,0,0]=4 28 B11R2.2 c1csc(c1)c2cn[nH]c2 WXVL_LR0498BT0829 [0,0,0,0,0,0|4,0,0]=4 29 B11R2.2 c1csc(c1)c2cn[nH]n2 WXVL_LR0395BT1547 [0,0,0,0,0,0|3,0,1]=4 30 B11R2.2 c1csc(c1)c2cn[nH]n2 WXVL_LR0395BT4023 [0,0,0,0,0,0|3,0,1]=4 31 B11R2.2 c1csc(c1)c2cn[nH]n2 WXVL_LR0395BT5079 [0,0,0,0,0,0|3,0,1]=4 32 B11R2.2 c1csc(c1)c2cnc[nH]2 WXVL_LR0418BT1547 [0,0,0,0,0,0|3,0,0]=3 33 B11R2.2 c1csc(c1)c2cnc[nH]2 WXVL_LR0418BT4023 [0,0,0,0,0,0|3,0,0]=3 34 B11R2.2 c1csc(c1)c2cnc[nH]2 WXVL_LR0418BT5079 [0,0,0,0,0,0|3,0,0]=3 35 B11R2.2 c1csc(c1)c2cncs2 WXVL_LR0498BT0771 [0,0,0,0,0,0|2,1,0]=3 36 B11R2.2 c1csc(c1)c2cnoc2 WXVL_LR0498BT1438 [0,0,0,0,0,0|4,0,0]=4 37 B11R2.2 c1csc(c1)c2cnoc2 WXVL_LR0706BT1547 [0,0,0,0,0,0|4,0,0]=4 38 B11R2.2 c1csc(c1)c2cnoc2 WXVL_LR0706BT4023 [0,0,0,0,0,0|4,0,0]=4 39 B11R2.2 c1csc(c1)c2cnoc2 WXVL_LR0706BT5079 [0,0,0,0,0,0|4,0,0]=4 40 B11R2.2 c1csc(c1)c2cnsc2 WXVL_LR0652BT1547 [0,0,0,0,0,0|4,0,0]=4 41 B11R2.2 c1csc(c1)c2cnsc2 WXVL_LR0652BT4023 [0,0,0,0,0,0|4,0,0]=4 42 B11R2.2 c1csc(c1)c2cnsc2 WXVL_LR0652BT5079 [0,0,0,0,0,0|4,0,0]=4 43 B11R2.2 c1csc(c1)c2cscn2 WXVL_LR0498BT0962 [0,0,0,0,0,0|4,0,0]=4 44 B11R2.2 c1csc(c1)c2nc[nH]n2 WXVL_LR0419BT1547 [0,0,0,0,0,0|2,0,1]=3 45 B11R2.2 c1csc(c1)c2nc[nH]n2 WXVL_LR0419BT4023 [0,0,0,0,0,0|2,0,1]=3 46 B11R2.2 c1csc(c1)c2nc[nH]n2 WXVL_LR0419BT5079 [0,0,0,0,0,0|2,0,1]=3 47 B11R2.2 c1csc(c1)c2nccs2 WXVL_LR0498BT2077 [0,0,0,0,0,0|2,1,0]=3 48 B11R2.2 c1csc(c1)c2ncns2 WXVL_LR0623BT1547 [0,0,0,0,0,0|3,0,0]=3 49 B11R2.2 c1csc(c1)c2ncns2 WXVL_LR0623BT4023 [0,0,0,0,0,0|3,0,0]=3 50 B11R2.2 c1csc(c1)c2ncns2 WXVL_LR0623BT5079 [0,0,0,0,0,0|3,0,0]=3 51 B11R2.2 c1csc(n1)c2ccon2 WXVL_LR0685BT2077 [0,0,0,0,0,0|2,1,1]=4 52 B11R2.2 c1csc(n1)c2cnc[nH]2 WXVL_LR0418BT2077 [0,0,0,0,0,0|2,1,0]=3 53 B11R2.2 c1csc(n1)c2nc[nH]n2 WXVL_LR0419BT2077 [0,0,0,0,0,0|2,0,2]=4 54 B11R2.2 c1csc(n1)c2ncns2 WXVL_LR0623BT2077 [0,0,0,0,0,0|3,0,1]=4 55 B11R2.2 c1nc(n[nH]1)c2ccoc2 WXVL_LR0419BT1598 [0,0,0,0,0,0|3,0,1]=4 56 B11R2.2 c1nc(n[nH]1)c2ccsc2 WXVL_LR0419BT1561 [0,0,0,0,0,0|3,0,1]=4 57 B11R2.2 c1nc(n[nH]1)c2cncs2 WXVL_LR0419BT0771 [0,0,0,0,0,0|3,0,1]=4 58 B11R2.2 c1nc(n[nH]1)c2cscn2 WXVL_LR0419BT0962 [0,0,0,0,0,0|2,0,2]=4 59 B11R2.2 c1ncc([nH]1)c2ccoc2 WXVL_LR0418BT1598 [0,0,0,0,0,0|4,0,0]=4 60 B11R2.2 c1ncc([nH]1)c2ccsc2 WXVL_LR0418BT1561 [0,0,0,0,0,0|4,0,0]=4 61 B11R2.2 c1ncc([nH]1)c2cn[nH]c2 WXVL_LR0418BT0829 [0,0,0,0,0,0|4,0,0]=4 62 B11R2.2 c1ncc([nH]1)c2cncs2 WXVL_LR0418BT0771 [0,0,0,0,0,0|2,1,0]=3 63 B11R2.2 c1ncc([nH]1)c2cnoc2 WXVL_LR0418BT1438 [0,0,0,0,0,0|4,0,0]=4 64 B11R2.2 c1ncc([nH]1)c2cscn2 WXVL_LR0418BT0962 [0,0,0,0,0,0|3,0,1]=4 65 B11R2.2 c1nsc(n1)c2cc[nH]c2 WXVL_LR0623BT5115 [0,0,0,0,0,0|4,0,0]=4 66 B11R2.2 c1nsc(n1)c2cc[nH]n2 WXVL_LR0623BT0902 [0,0,0,0,0,0|3,0,1]=4 67 B11R2.2 c1nsc(n1)c2ccoc2 WXVL_LR0623BT1598 [0,0,0,0,0,0|4,0,0]=4 68 B11R2.2 c1nsc(n1)c2ccsc2 WXVL_LR0623BT1561 [0,0,0,0,0,0|4,0,0]=4 69 B11R2.2 c1nsc(n1)c2cncs2 WXVL_LR0623BT0771 [0,0,0,0,0,0|4,0,0]=4 70 B11R2.2 c1nsc(n1)c2cscn2 WXVL_LR0623BT0962 [0,0,0,0,0,0|3,0,1]=4 71 B12R2.6 Cc1cc(n[nH]1)c2cccs2 WXVL_LR0498BT1880 [0,1,0,0,0,0|2,0,1]=4 72 B12R2.6 Cc1cc(n[nH]1)c2cnc[nH]2 WXVL_LR0418BT1880 [0,1,0,0,0,0|2,0,1]=4 73 B12R2.6 Cc1ccc(o1)c2cccs2 WXVL_LR0498BT2297 [0,1,0,0,0,0|3,0,0]=4 74 B12R2.6 Cc1ccc(o1)c2ccon2 WXVL_LR0685BT2297 [0,1,0,0,0,0|3,0,0]=4 75 B12R2.6 Cc1ccc(o1)c2cnc[nH]2 WXVL_LR0418BT2297 [0,1,0,0,0,0|3,0,0]=4 76 B12R2.6 Cc1ccc(o1)c2nc[nH]n2 WXVL_LR0419BT2297 [0,1,0,0,0,0|2,0,1]=4 77 B12R2.6 Cc1ccc(o1)c2ncns2 WXVL_LR0623BT2297 [0,1,0,0,0,0|3,0,0]=4 78 B12R2.6 Cc1ccc(s1)c2cc[nH]n2 WXVL_LR0501BT0902 [0,1,0,0,0,0|2,0,1]=4 79 B12R2.6 Cc1ccc(s1)c2ccco2 WXVL_LR0501BT1995 [0,1,0,0,0,0|3,0,0]=4 80 B12R2.6 Cc1ccc(s1)c2cncs2 WXVL_LR0501BT0771 [0,1,0,0,0,0|2,1,0]=4 81 B12R2.6 Cc1ccc(s1)c2nccs2 WXVL_LR0501BT2077 [0,1,0,0,0,0|2,1,0]=4 82 B12R2.6 Cc1cnc([nH]1)c2cc[nH]n2 WXVL_LR1156BT0902 [0,1,0,0,0,0|2,0,1]=4 83 B12R2.6 Cc1cnc([nH]1)c2ccco2 WXVL_LR1156BT1995 [0,1,0,0,0,0|3,0,0]=4 84 B12R2.6 Cc1cnc([nH]1)c2cccs2 WXVL_LR1156BT1547 [0,1,0,0,0,0|3,0,0]=4 85 B12R2.6 Cc1cnc([nH]1)c2cccs2 WXVL_LR1156BT4023 [0,1,0,0,0,0|3,0,0]=4 86 B12R2.6 Cc1cnc([nH]1)c2cccs2 WXVL_LR1156BT5079 [0,1,0,0,0,0|3,0,0]=4 87 B12R2.6 Cc1cnc([nH]1)c2cncs2 WXVL_LR1156BT0771 [0,1,0,0,0,0|2,1,0]=4 88 B12R2.6 Cc1cnc([nH]1)c2nccs2 WXVL_LR1156BT2077 [0,1,0,0,0,0|2,1,0]=4 89 B12R2.6 Cc1csc(c1)c2ccon2 WXVL_LR0685BT2315 [0,1,0,0,0,0|3,0,0]=4 90 B12R2.6 Cc1csc(c1)c2cnc[nH]2 WXVL_LR0418BT2315 [0,1,0,0,0,0|3,0,0]=4 91 B12R2.6 Cc1csc(c1)c2nc[nH]n2 WXVL_LR0419BT2315 [0,1,0,0,0,0|2,0,1]=4 92 B12R2.6 Cc1csc(c1)c2ncns2 WXVL_LR0623BT2315 [0,1,0,0,0,0|3,0,0]=4 93 B12R2.6 Cc1nc(no1)c2ccco2 WXVL_LR0423BT1995 [0,1,0,0,0,0|3,0,0]=4 94 B12R2.6 Cc1nc(no1)c2cccs2 WXVL_LR0423BT1547 [0,1,0,0,0,0|3,0,0]=4 95 B12R2.6 Cc1nc(no1)c2cccs2 WXVL_LR0423BT4023 [0,1,0,0,0,0|3,0,0]=4 96 B12R2.6 Cc1nc(no1)c2cccs2 WXVL_LR0423BT5079 [0,1,0,0,0,0|3,0,0]=4 97 B12R2.6 Cc1ncc(s1)c2ccco2 WXVL_LR0558BT1995 [0,1,0,0,0,0|2,1,0]=4 98 B12R2.6 Cc1ncc(s1)c2cccs2 WXVL_LR0498BT2292 [0,1,0,0,0,0|2,1,0]=4 99 B12R2.6 Cc1ncc(s1)c2cccs2 WXVL_LR0558BT1547 [0,1,0,0,0,0|2,1,0]=4 100 B12R2.6 Cc1ncc(s1)c2cccs2 WXVL_LR0558BT4023 [0,1,0,0,0,0|2,1,0]=4 101 B12R2.6 Cc1ncc(s1)c2cccs2 WXVL_LR0558BT5079 [0,1,0,0,0,0|2,1,0]=4 102 B12R2.6 Cc1ncc(s1)c2cnc[nH]2 WXVL_LR0418BT2292 [0,1,0,0,0,0|2,1,0]=4 103 B12R2.6 Cc1nnc(o1)C2=CCCC2 WXVL_LR0506BT0967 [0,1,0,0,0,0|1,0,2]=4 104 B12R2.6 Cc1nnc(o1)C2=CCOC2 WXVL_LR0506BT1456 [0,1,0,0,0,0|2,0,1]=4 105 B12R2.6 Cc1nnc(o1)C2=COCC2 WXVL_LR0506BT5753 [0,1,0,0,0,0|2,0,1]=4 106 B12R2.6 Cc1nnc(o1)c2cc[nH]c2 WXVL_LR0506BT5115 [0,1,0,0,0,0|2,0,0]=3 107 B12R2.6 Cc1nnc(o1)c2cc[nH]n2 WXVL_LR0506BT0902 [0,1,0,0,0,0|1,0,1]=3 108 B12R2.6 Cc1nnc(o1)c2ccco2 WXVL_LR0506BT1995 [0,1,0,0,0,0|1,0,0]=2 109 B12R2.6 Cc1nnc(o1)c2cccs2 WXVL_LR0506BT1547 [0,1,0,0,0,0|1,0,0]=2 110 B12R2.6 Cc1nnc(o1)c2cccs2 WXVL_LR0506BT4023 [0,1,0,0,0,0|1,0,0]=2 111 B12R2.6 Cc1nnc(o1)c2cccs2 WXVL_LR0506BT5079 [0,1,0,0,0,0|1,0,0]=2 112 B12R2.6 Cc1nnc(o1)c2ccoc2 WXVL_LR0506BT1598 [0,1,0,0,0,0|2,0,0]=3 113 B12R2.6 Cc1nnc(o1)c2ccsc2 WXVL_LR0506BT1561 [0,1,0,0,0,0|2,0,0]=3 114 B12R2.6 Cc1nnc(o1)c2cn[nH]c2 WXVL_LR0506BT0829 [0,1,0,0,0,0|3,0,0]=4 115 B12R2.6 Cc1nnc(o1)c2cncs2 WXVL_LR0506BT0771 [0,1,0,0,0,0|2,0,0]=3 116 B12R2.6 Cc1nnc(o1)c2cnoc2 WXVL_LR0506BT1438 [0,1,0,0,0,0|3,0,0]=4 117 B12R2.6 Cc1nnc(o1)c2cscn2 WXVL_LR0506BT0962 [0,1,0,0,0,0|1,0,1]=3 118 B12R2.6 Cc1nnc(o1)c2nccs2 WXVL_LR0506BT2077 [0,1,0,0,0,0|1,0,1]=3 119 B12R2.6 Clc1ccc(s1)c2cc[nH]n2 WXVL_LR0493BT0902 [0,1,0,0,0,0|2,0,1]=4 120 B12R2.6 Clc1ccc(s1)c2ccco2 WXVL_LR0493BT1995 [0,1,0,0,0,0|3,0,0]=4 121 B12R2.6 Clc1ccc(s1)c2cncs2 WXVL_LR0493BT0771 [0,1,0,0,0,0|2,1,0]=4 122 B12R2.6 Clc1ccc(s1)c2nccs2 WXVL_LR0493BT2077 [0,1,0,0,0,0|2,1,0]=4 123 B12R2.6 Clc1csc(n1)c2ccco2 WXVL_LR1009BT1995 [0,1,0,0,0,0|2,1,0]=4 124 B12R2.6 Clc1csc(n1)c2cccs2 WXVL_LR1009BT1547 [0,1,0,0,0,0|2,1,0]=4 125 B12R2.6 Clc1csc(n1)c2cccs2 WXVL_LR1009BT4023 [0,1,0,0,0,0|2,1,0]=4 126 B12R2.6 Clc1csc(n1)c2cccs2 WXVL_LR1009BT5079 [0,1,0,0,0,0|2,1,0]=4 127 B12R2.6 Clc1ncc(s1)c2ccco2 WXVL_LR1248BT1995 [0,1,0,0,0,0|2,1,0]=4 128 B12R2.6 Clc1ncc(s1)c2cccs2 WXVL_LR1248BT1547 [0,1,0,0,0,0|2,1,0]=4 129 B12R2.6 Clc1ncc(s1)c2cccs2 WXVL_LR1248BT4023 [0,1,0,0,0,0|2,1,0]=4 130 B12R2.6 Clc1ncc(s1)c2cccs2 WXVL_LR1248BT5079 [0,1,0,0,0,0|2,1,0]=4 131 B12R2.6 Cn1cc(nn1)c2ccco2 WXVL_LR0761BT1995 [0,1,0,0,0,0|3,0,0]=4 132 B12R2.6 Cn1cc(nn1)c2cccs2 WXVL_LR0761BT1547 [0,1,0,0,0,0|3,0,0]=4 133 B12R2.6 Cn1cc(nn1)c2cccs2 WXVL_LR0761BT4023 [0,1,0,0,0,0|3,0,0]=4 134 B12R2.6 Cn1cc(nn1)c2cccs2 WXVL_LR0761BT5079 [0,1,0,0,0,0|3,0,0]=4 135 B12R2.6 Cn1ccc(n1)c2cccs2 WXVL_LR0498BT1862 [0,1,0,0,0,0|2,0,1]=4 136 B12R2.6 Cn1ccc(n1)c2cnc[nH]2 WXVL_LR0418BT1862 [0,1,0,0,0,0|2,0,1]=4 137 B12R2.6 Cn1cnc(n1)c2ccco2 WXVL_LR0383BT1995 [0,1,0,0,0,0|2,0,1]=4 138 B12R2.6 Cn1cnc(n1)c2cccs2 WXVL_LR0383BT1547 [0,1,0,0,0,0|2,0,1]=4 139 B12R2.6 Cn1cnc(n1)c2cccs2 WXVL_LR0383BT4023 [0,1,0,0,0,0|2,0,1]=4 140 B12R2.6 Cn1cnc(n1)c2cccs2 WXVL_LR0383BT5079 [0,1,0,0,0,0|2,0,1]=4 141 B12R2.6 Cn1nnc(n1)c2ccco2 WXVL_LR1548BT1995 [0,1,0,0,0,0|3,0,0]=4 142 B12R2.6 Cn1nnc(n1)c2cccs2 WXVL_LR1548BT1547 [0,1,0,0,0,0|3,0,0]=4 143 B12R2.6 Cn1nnc(n1)c2cccs2 WXVL_LR1548BT4023 [0,1,0,0,0,0|3,0,0]=4 144 B12R2.6 Cn1nnc(n1)c2cccs2 WXVL_LR1548BT5079 [0,1,0,0,0,0|3,0,0]=4 145 B12R2.6 Fc1ccc(s1)c2ccon2 WXVL_LR0685BT2581 [0,1,0,0,0,0|3,0,0]=4 146 B12R2.6 Fc1ccc(s1)c2cnc[nH]2 WXVL_LR0418BT2581 [0,1,0,0,0,0|3,0,0]=4 147 B12R2.6 Fc1ccc(s1)c2nc[nH]n2 WXVL_LR0419BT2581 [0,1,0,0,0,0|2,0,1]=4 148 B12R2.6 Fc1ccc(s1)c2ncns2 WXVL_LR0623BT2581 [0,1,0,0,0,0|3,0,0]=4 149 B12R2.6 Fc1cnc(s1)c2ccco2 WXVL_LR1252BT1995 [0,1,0,0,0,0|2,1,0]=4 150 B12R2.6 Fc1cnc(s1)c2cccs2 WXVL_LR1252BT1547 [0,1,0,0,0,0|2,1,0]=4 151 B12R2.6 Fc1cnc(s1)c2cccs2 WXVL_LR1252BT4023 [0,1,0,0,0,0|2,1,0]=4 152 B12R2.6 Fc1cnc(s1)c2cccs2 WXVL_LR1252BT5079 [0,1,0,0,0,0|2,1,0]=4 153 B12R2.10 Cc1ccsc1c2cc[nH]n2 WXVL_LR0502BT0902 [0,1,0,0,0,0|2,0,1]=4 154 B12R2.10 Cc1ccsc1c2ccco2 WXVL_LR0502BT1995 [0,1,0,0,0,0|3,0,0]=4 155 B12R2.10 Cc1ccsc1c2ccon2 WXVL_LR0685BT1652 [0,1,0,0,0,0|3,0,0]=4 156 B12R2.10 Cc1ccsc1c2cnc[nH]2 WXVL_LR0418BT1652 [0,1,0,0,0,0|3,0,0]=4 157 B12R2.10 Cc1ccsc1c2cncs2 WXVL_LR0502BT0771 [0,1,0,0,0,0|2,1,0]=4 158 B12R2.10 Cc1ccsc1c2nc[nH]n2 WXVL_LR0419BT1652 [0,1,0,0,0,0|2,0,1]=4 159 B12R2.10 Cc1ccsc1c2nccs2 WXVL_LR0502BT2077 [0,1,0,0,0,0|2,1,0]=4 160 B12R2.10 Cc1ccsc1c2ncns2 WXVL_LR0623BT1652 [0,1,0,0,0,0|3,0,0]=4 161 B12R2.10 Cc1ncsc1c2ccco2 WXVL_LR0791BT1995 [0,1,0,0,0,0|2,1,0]=4 162 B12R2.10 Cc1ncsc1c2cccs2 WXVL_LR0791BT1547 [0,1,0,0,0,0|2,1,0]=4 163 B12R2.10 Cc1ncsc1c2cccs2 WXVL_LR0791BT4023 [0,1,0,0,0,0|2,1,0]=4 164 B12R2.10 Cc1ncsc1c2cccs2 WXVL_LR0791BT5079 [0,1,0,0,0,0|2,1,0]=4 165 B12R2.10 Clc1ccsc1c2cc[nH]n2 WXVL_LR0754BT0902 [0,1,0,0,0,0|2,0,1]=4 166 B12R2.10 Clc1ccsc1c2ccco2 WXVL_LR0754BT1995 [0,1,0,0,0,0|3,0,0]=4 167 B12R2.10 Clc1ccsc1c2cncs2 WXVL_LR0754BT0771 [0,1,0,0,0,0|2,1,0]=4 168 B12R2.10 Clc1ccsc1c2nccs2 WXVL_LR0754BT2077 [0,1,0,0,0,0|2,1,0]=4 169 B12R2.10 Cn1cccc1c2cccs2 WXVL_LR0498BT4126 [0,1,0,0,0,0|2,1,0]=4 170 B12R2.10 Cn1cccc1c2ccon2 WXVL_LR0685BT4126 [0,1,0,0,0,0|2,0,0]=3 171 B12R2.10 Cn1cccc1c2cn[nH]n2 WXVL_LR0395BT4126 [0,1,0,0,0,0|2,0,1]=4 172 B12R2.10 Cn1cccc1c2cnc[nH]2 WXVL_LR0418BT4126 [0,1,0,0,0,0|2,0,0]=3 173 B12R2.10 Cn1cccc1c2cnoc2 WXVL_LR0706BT4126 [0,1,0,0,0,0|3,0,0]=4 174 B12R2.10 Cn1cccc1c2cnsc2 WXVL_LR0652BT4126 [0,1,0,0,0,0|3,0,0]=4 175 B12R2.10 Cn1cccc1c2nc[nH]n2 WXVL_LR0419BT4126 [0,1,0,0,0,0|1,0,1]=3 176 B12R2.10 Cn1cccc1c2ncns2 WXVL_LR0623BT4126 [0,1,0,0,0,0|2,0,0]=3 177 B12R2.10 Cn1cncc1c2cccs2 WXVL_LR0498BT2181 [0,1,0,0,0,0|3,0,0]=4 178 B12R2.10 Cn1cncc1c2ccon2 WXVL_LR0685BT2181 [0,1,0,0,0,0|3,0,0]=4 179 B12R2.10 Cn1cncc1c2cnc[nH]2 WXVL_LR0418BT2181 [0,1,0,0,0,0|3,0,0]=4 180 B12R2.10 Cn1cncc1c2nc[nH]n2 WXVL_LR0419BT2181 [0,1,0,0,0,0|2,0,1]=4 181 B12R2.10 Cn1cncc1c2ncns2 WXVL_LR0623BT2181 [0,1,0,0,0,0|3,0,0]=4 182 B12R2.10 Cn1cnnc1c2cc[nH]c2 WXVL_LR1200BT5115 [0,1,0,0,0,0|3,0,0]=4 183 B12R2.10 Cn1cnnc1c2cc[nH]n2 WXVL_LR1200BT0902 [0,1,0,0,0,0|2,0,1]=4 184 B12R2.10 Cn1cnnc1c2ccco2 WXVL_LR1200BT1995 [0,1,0,0,0,0|2,0,0]=3 185 B12R2.10 Cn1cnnc1c2cccs2 WXVL_LR1200BT1547 [0,1,0,0,0,0|2,0,0]=3 186 B12R2.10 Cn1cnnc1c2cccs2 WXVL_LR1200BT4023 [0,1,0,0,0,0|2,0,0]=3 187 B12R2.10 Cn1cnnc1c2cccs2 WXVL_LR1200BT5079 [0,1,0,0,0,0|2,0,0]=3 188 B12R2.10 Cn1cnnc1c2ccoc2 WXVL_LR1200BT1598 [0,1,0,0,0,0|3,0,0]=4 189 B12R2.10 Cn1cnnc1c2ccsc2 WXVL_LR1200BT1561 [0,1,0,0,0,0|3,0,0]=4 190 B12R2.10 Cn1cnnc1c2cncs2 WXVL_LR1200BT0771 [0,1,0,0,0,0|3,0,0]=4 191 B12R2.10 Cn1cnnc1c2cscn2 WXVL_LR1200BT0962 [0,1,0,0,0,0|2,0,1]=4 192 B12R2.10 Cn1cnnc1c2nccs2 WXVL_LR1200BT2077 [0,1,0,0,0,0|2,0,1]=4 193 B12R2.10 Cn1nccc1c2cccs2 WXVL_LR0498BT1718 [0,1,0,0,0,0|2,0,1]=4 194 B12R2.10 Cn1nccc1c2ccon2 WXVL_LR0685BT1718 [0,1,0,0,0,0|3,0,0]=4 195 B12R2.10 Cn1nccc1c2cnc[nH]2 WXVL_LR0418BT1718 [0,1,0,0,0,0|2,0,1]=4 196 B12R2.10 Cn1nccc1c2nc[nH]n2 WXVL_LR0419BT1718 [0,1,0,0,0,0|2,0,1]=4 197 B12R2.10 Cn1nccc1c2ncns2 WXVL_LR0623BT1718 [0,1,0,0,0,0|3,0,0]=4 198 B12R2.10 Cn1ncnc1c2ccco2 WXVL_LR0640BT1995 [0,1,0,0,0,0|2,0,1]=4 199 B12R2.10 Cn1ncnc1c2cccs2 WXVL_LR0640BT1547 [0,1,0,0,0,0|2,0,1]=4 200 B12R2.10 Cn1ncnc1c2cccs2 WXVL_LR0640BT4023 [0,1,0,0,0,0|2,0,1]=4 201 B12R2.10 Cn1ncnc1c2cccs2 WXVL_LR0640BT5079 [0,1,0,0,0,0|2,0,1]=4 202 B12R2.2 c1cc(ccn1)c2ccon2 WXVL_LR0685BT0574 [0,0,0,0,0,1|3,0,0]=4 203 B12R2.2 c1cc(ccn1)c2cnc[nH]2 WXVL_LR0418BT0574 [0,0,0,0,0,1|3,0,0]=4 204 B12R2.2 c1cc(ccn1)c2nc[nH]n2 WXVL_LR0419BT0574 [0,0,0,0,0,1|2,0,1]=4 205 B12R2.2 c1cc(ccn1)c2ncns2 WXVL_LR0623BT0574 [0,0,0,0,0,1|3,0,0]=4 206 B12R2.2 c1cc(cnn1)c2ccon2 WXVL_LR0685BT1744 [0,0,0,0,0,1|2,0,1]=4 207 B12R2.2 c1cc(cnn1)c2cnc[nH]2 WXVL_LR0418BT1744 [0,0,0,0,0,1|2,0,0]=3 208 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT0919 [0,0,0,0,0,1|3,0,0]=4 209 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT1115 [0,0,0,0,0,1|3,0,0]=4 210 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT2957 [0,0,0,0,0,1|3,0,0]=4 211 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT0919 [0,0,0,0,0,1|3,0,0]=4 212 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT1115 [0,0,0,0,0,1|3,0,0]=4 213 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT2957 [0,0,0,0,0,1|3,0,0]=4 214 B12R2.2 c1ccc(cc1)c2nc[nH]n2 WXVL_LR0419BT0919 [0,0,0,0,0,1|2,0,1]=4 215 B12R2.2 c1ccc(cc1)c2nc[nH]n2 WXVL_LR0419BT1115 [0,0,0,0,0,1|2,0,1]=4 216 B12R2.2 c1ccc(cc1)c2nc[nH]n2 WXVL_LR0419BT2957 [0,0,0,0,0,1|2,0,1]=4 217 B12R2.2 c1ccc(cc1)c2ncns2 WXVL_LR0623BT0919 [0,0,0,0,0,1|3,0,0]=4 218 B12R2.2 c1ccc(cc1)c2ncns2 WXVL_LR0623BT1115 [0,0,0,0,0,1|3,0,0]=4 219 B12R2.2 c1ccc(cc1)c2ncns2 WXVL_LR0623BT2957 [0,0,0,0,0,1|3,0,0]=4 220 B12R2.2 c1ccc(nc1)c2cccs2 WXVL_LR0498BT0164 [0,0,0,0,0,1|3,0,0]=4 221 B12R2.2 c1ccc(nc1)c2ccon2 WXVL_LR0685BT0164 [0,0,0,0,0,1|2,0,1]=4 222 B12R2.2 c1ccc(nc1)c2cnc[nH]2 WXVL_LR0418BT0164 [0,0,0,0,0,1|2,0,1]=4 223 B12R2.2 c1ccc(nc1)c2nc[nH]n2 WXVL_LR0419BT0164 [0,0,0,0,0,1|1,0,2]=4 224 B12R2.2 c1ccc(nc1)c2ncns2 WXVL_LR0623BT0164 [0,0,0,0,0,1|2,0,1]=4 225 B12R2.2 c1cncc(c1)c2cccs2 WXVL_LR0498BT1208 [0,0,0,0,0,1|3,0,0]=4 226 B12R2.2 c1cncc(c1)c2cccs2 WXVL_LR0498BT3912 [0,0,0,0,0,1|3,0,0]=4 227 B12R2.2 c1cncc(c1)c2ccon2 WXVL_LR0685BT1208 [0,0,0,0,0,1|2,0,1]=4 228 B12R2.2 c1cncc(c1)c2ccon2 WXVL_LR0685BT3912 [0,0,0,0,0,1|2,0,1]=4 229 B12R2.2 c1cncc(c1)c2cnc[nH]2 WXVL_LR0418BT1208 [0,0,0,0,0,1|2,0,1]=4 230 B12R2.2 c1cncc(c1)c2cnc[nH]2 WXVL_LR0418BT3912 [0,0,0,0,0,1|2,0,1]=4 231 B12R2.2 c1cncc(c1)c2nc[nH]n2 WXVL_LR0419BT1208 [0,0,0,0,0,1|1,0,2]=4 232 B12R2.2 c1cncc(c1)c2nc[nH]n2 WXVL_LR0419BT3912 [0,0,0,0,0,1|1,0,2]=4 233 B12R2.2 c1cncc(c1)c2ncns2 WXVL_LR0623BT1208 [0,0,0,0,0,1|2,0,1]=4 234 B12R2.2 c1cncc(c1)c2ncns2 WXVL_LR0623BT3912 [0,0,0,0,0,1|2,0,1]=4 235 B12R2.2 c1csc(c1)c2ccncc2 WXVL_LR0498BT0574 [0,0,0,0,0,1|3,0,0]=4 236 B12R2.2 c1csc(c1)c2ccnnc2 WXVL_LR0498BT1744 [0,0,0,0,0,1|2,0,0]=3 237 B11R1.29 C=CCNC(=O)c1cnco1 WXVL_AK00561SC0018 [0,1,1,0,0,0|2,0,0]=4 238 B11R1.29 C=CCNC(=O)c1cnco1 WXVL_AK00561SC0018 [0,1,1,0,0,0|2,0,0]=4 239 B11R1.29 C=CCNC(=O)c1nnc[nH]1 WXVL_AK00561SC00053 [0,1,1,0,0,0|2,0,0]=4 240 B11R1.29 C=CCNC(=O)c1nnc[nH]1 WXVL_AK00561SC00053 [0,1,1,0,0,0|2,0,0]=4 241 B11R1.30 C/C=C/C(=O)Nc1nnco1 WXVL_AF0087SB0340 [0,1,1,0,0,0|2,0,0]=4 242 B11R1.30 C/C=C/C(=O)Nc1nnco1 WXVL_AF0087SB0340 [0,1,1,0,0,0|2,0,0]=4 243 B13R2.10 Cc1ccc(s1)c2ccnnc2 WXVL_LR0501BT1744 [0,1,0,0,0,1|2,0,0]=4 244 B13R2.10 Cc1cnc([nH]1)c2ccnnc2 WXVL_LR1156BT1744 [0,1,0,0,0,1|2,0,0]=4 245 B13R2.10 Cc1nnc(o1)c2ccccc2 WXVL_LR0506BT0919 [0,1,0,0,0,1|1,0,0]=3 246 B13R2.10 Cc1nnc(o1)c2ccccc2 WXVL_LR0506BT1115 [0,1,0,0,0,1|1,0,0]=3 247 B13R2.10 Cc1nnc(o1)c2ccccc2 WXVL_LR0506BT2957 [0,1,0,0,0,1|1,0,0]=3 248 B13R2.10 Cc1nnc(o1)c2ccccn2 WXVL_LR0506BT0164 [0,1,0,0,0,1|0,0,1]=3 249 B13R2.10 Cc1nnc(o1)c2cccnc2 WXVL_LR0506BT1208 [0,1,0,0,0,1|0,0,1]=3 250 B13R2.10 Cc1nnc(o1)c2cccnc2 WXVL_LR0506BT3912 [0,1,0,0,0,1|0,0,1]=3 251 B13R2.10 Cc1nnc(o1)c2ccncc2 WXVL_LR0506BT0574 [0,1,0,0,0,1|1,0,0]=3 252 B13R2.10 Cc1nnc(o1)c2ccnnc2 WXVL_LR0506BT1744 [0,1,0,0,0,1|1,0,1]=4 253 B13R2.10 Clc1ccc(s1)c2ccnnc2 WXVL_LR0493BT1744 [0,1,0,0,0,1|2,0,0]=4 254 B13R2.13 Cc1cc(cnn1)c2cccs2 WXVL_LR0498BT6432 [0,1,0,0,0,1|2,0,0]=4 255 B13R2.13 Cc1cc(cnn1)c2cnc[nH]2 WXVL_LR0418BT6432 [0,1,0,0,0,1|2,0,0]=4 256 B13R2.15 Cc1ccsc1c2ccnnc2 WXVL_LR0502BT1744 [0,1,0,0,0,1|2,0,0]=4 257 B13R2.15 Clc1ccsc1c2ccnnc2 WXVL_LR0754BT1744 [0,1,0,0,0,1|2,0,0]=4 258 B13R2.15 Cn1cnnc1c2ccccc2 WXVL_LR1200BT0919 [0,1,0,0,0,1|2,0,0]=4 259 B13R2.15 Cn1cnnc1c2ccccc2 WXVL_LR1200BT1115 [0,1,0,0,0,1|2,0,0]=4 260 B13R2.15 Cn1cnnc1c2ccccc2 WXVL_LR1200BT2957 [0,1,0,0,0,1|2,0,0]=4 261 B13R2.15 Cn1cnnc1c2ccccn2 WXVL_LR1200BT0164 [0,1,0,0,0,1|1,0,1]=4 262 B13R2.15 Cn1cnnc1c2cccnc2 WXVL_LR1200BT1208 [0,1,0,0,0,1|1,0,1]=4 263 B13R2.15 Cn1cnnc1c2cccnc2 WXVL_LR1200BT3912 [0,1,0,0,0,1|1,0,1]=4 264 B13R2.15 Cn1cnnc1c2ccncc2 WXVL_LR1200BT0574 [0,1,0,0,0,1|2,0,0]=4 265 B13R2.4 O=Cc1c[nH]c(c1)c2cc[nH]n2 WXVL_QS2079BT0902 [0,2,0,0,0,0|1,0,1]=4 266 B13R2.4 O=Cc1c[nH]c(c1)c2ccco2 WXVL_QS2079BT1995 [0,2,0,0,0,0|2,0,0]=4 267 B13R2.4 O=Cc1c[nH]c(c1)c2cncs2 WXVL_QS2079BT0771 [0,2,0,0,0,0|1,1,0]=4 268 B13R2.4 O=Cc1c[nH]c(c1)c2nccs2 WXVL_QS2079BT2077 [0,2,0,0,0,0|1,1,0]=4 269 B13R2.4 O=Cc1ccc([nH]1)c2cc[nH]n2 WXVL_QS1848BT0902 [0,2,0,0,0,0|1,0,1]=4 270 B13R2.4 O=Cc1ccc([nH]1)c2ccco2 WXVL_QS1848BT1995 [0,2,0,0,0,0|2,0,0]=4 271 B13R2.4 O=Cc1ccc([nH]1)c2cncs2 WXVL_QS1848BT0771 [0,2,0,0,0,0|1,1,0]=4 272 B13R2.4 O=Cc1ccc([nH]1)c2nccs2 WXVL_QS1848BT2077 [0,2,0,0,0,0|1,1,0]=4 273 B13R2.11 Cc1cc(n[nH]1)c2nnc(o2)C WXVL_LR0506BT1880 [0,2,0,0,0,0|1,0,1]=4 274 B13R2.11 Cc1ccc(o1)c2nnc(o2)C WXVL_LR0506BT2297 [0,2,0,0,0,0|1,0,0]=3 275 B13R2.11 Cc1csc(c1)c2nnc(o2)C WXVL_LR0506BT2315 [0,2,0,0,0,0|1,0,0]=3 276 B13R2.11 Cc1nnc(o1)c2ccc(s2)F WXVL_LR0506BT2581 [0,2,0,0,0,0|1,0,0]=3 277 B13R2.11 Cc1nnc(o1)c2ccn(c2)C WXVL_LR0506BT5755 [0,2,0,0,0,0|2,0,0]=4 278 B13R2.11 Cc1nnc(o1)c2ccn(n2)C WXVL_LR0506BT1862 [0,2,0,0,0,0|1,0,1]=4 279 B13R2.11 Cc1nnc(o1)c2cnc(s2)C WXVL_LR0506BT2292 [0,2,0,0,0,0|2,0,0]=4 280 B13R2.11 Cc1nnc(o1)c2csc(c2)C WXVL_LR0506BT9786 [0,2,0,0,0,0|2,0,0]=4 281 B13R2.144 Cc1ccc(o1)c2nncn2C WXVL_LR1200BT2297 [0,2,0,0,0,0|2,0,0]=4 282 B13R2.144 Cc1cnc([nH]1)c2cccn2C WXVL_LR1156BT4126 [0,2,0,0,0,0|2,0,0]=4 283 B13R2.144 Cc1csc(c1)c2nncn2C WXVL_LR1200BT2315 [0,2,0,0,0,0|2,0,0]=4 284 B13R2.144 Cc1nc(no1)c2cccn2C WXVL_LR0423BT4126 [0,2,0,0,0,0|2,0,0]=4 285 B13R2.144 Cc1ncc(s1)c2cccn2C WXVL_LR0558BT4126 [0,2,0,0,0,0|1,1,0]=4 286 B13R2.144 Cc1nnc(o1)c2cccn2C WXVL_LR0506BT4126 [0,2,0,0,0,0|0,0,0]=2 287 B13R2.144 Cc1nnc(o1)c2ccnn2C WXVL_LR0506BT1718 [0,2,0,0,0,0|1,0,0]=3 288 B13R2.144 Cc1nnc(o1)c2cncn2C WXVL_LR0506BT2181 [0,2,0,0,0,0|1,0,0]=3 289 B13R2.144 Cc1nnc(o1)c2cscc2C WXVL_LR0506BT0862 [0,2,0,0,0,0|2,0,0]=4 290 B13R2.144 Cc1nnc(o1)c2cscc2C WXVL_LR0506BT0877 [0,2,0,0,0,0|2,0,0]=4 291 B13R2.144 Cc1nnc(o1)c2sccc2C WXVL_LR0506BT1652 [0,2,0,0,0,0|1,0,0]=3 292 B13R2.144 Cn1cc(nn1)c2cccn2C WXVL_LR0761BT4126 [0,2,0,0,0,0|2,0,0]=4 293 B13R2.144 Cn1cccc1c2cnc(s2)Cl WXVL_LR1248BT4126 [0,2,0,0,0,0|1,1,0]=4 294 B13R2.144 Cn1cccc1c2nc(cs2)Cl WXVL_LR1009BT4126 [0,2,0,0,0,0|1,1,0]=4 295 B13R2.144 Cn1cccc1c2ncc(s2)F WXVL_LR1252BT4126 [0,2,0,0,0,0|1,1,0]=4 296 B13R2.144 Cn1cnc(n1)c2cccn2C WXVL_LR0383BT4126 [0,2,0,0,0,0|1,0,1]=4 297 B13R2.144 Cn1cnnc1c2ccc(s2)F WXVL_LR1200BT2581 [0,2,0,0,0,0|2,0,0]=4 298 B13R2.144 Cn1nnc(n1)c2cccn2C WXVL_LR1548BT4126 [0,2,0,0,0,0|2,0,0]=4 299 B13R2.181 Cc1ccsc1c2nncn2C WXVL_LR1200BT1652 [0,2,0,0,0,0|2,0,0]=4 300 B13R2.181 Cc1ncsc1c2cccn2C WXVL_LR0791BT4126 [0,2,0,0,0,0|1,1,0]=4 301 B13R2.181 Cn1cccc1c2ncnn2C WXVL_LR0640BT4126 [0,2,0,0,0,0|1,0,1]=4 302 B13R2.181 Cn1cccc1c2nncn2C WXVL_LR1200BT4126 [0,2,0,0,0,0|1,0,0]=3 303 B13R2.181 Cn1cncc1c2nncn2C WXVL_LR1200BT2181 [0,2,0,0,0,0|2,0,0]=4 304 B13R2.181 Cn1cnnc1c2ccnn2C WXVL_LR1200BT1718 [0,2,0,0,0,0|2,0,0]=4 305 B13R2.64 c1cc(ncn1)Nc2ccn[nH]2 WXVL_AF0122LP3358 [0,0,0,0,0,2|2,0,0]=4 306 B13R2.64 c1cc(ncn1)Nc2ccn[nH]2 WXVL_AF0122LP3358 [0,0,0,0,0,2|2,0,0]=4 307 B13R2.64 c1cc(ncn1)Nc2cnc[nH]2 WXVL_AF00103LP3358 [0,0,0,0,0,2|2,0,0]=4 308 B13R2.64 c1cc(ncn1)Nc2cnc[nH]2 WXVL_AF00103LP3358 [0,0,0,0,0,2|2,0,0]=4 309 B13R2.64 c1cc(ncn1)Nc2ncc[nH]2 WXVL_AF0297LP3358 [0,0,0,0,0,2|2,0,0]=4 310 B13R2.64 c1cc(ncn1)Nc2ncc[nH]2 WXVL_AF0297LP3358 [0,0,0,0,0,2|2,0,0]=4 311 B13R2.64 c1cc(ncn1)Nc2ncco2 WXVL_AF0235LP3358 [0,0,0,0,0,2|1,0,1]=4 312 B13R2.64 c1cc(ncn1)Nc2ncco2 WXVL_AF0235LP3358 [0,0,0,0,0,2|1,0,1]=4 313 B13R2.64 c1cc(ncn1)Nc2nnco2 WXVL_AF0087LP3358 [0,0,0,0,0,2|0,0,1]=3 314 B13R2.64 c1cc(ncn1)Nc2nnco2 WXVL_AF0087LP3358 [0,0,0,0,0,2|0,0,1]=3 315 B13R2.64 c1cnc(nc1)Nc2ncco2 WXVL_AF0235LP0002 [0,0,0,0,0,2|1,0,1]=4 316 B13R2.64 c1cnc(nc1)Nc2ncco2 WXVL_AF0235LP0002 [0,0,0,0,0,2|1,0,1]=4 317 B13R2.64 c1cnc(nc1)Nc2nnco2 WXVL_AF0087LP0002 [0,0,0,0,0,2|0,0,1]=3 318 B13R2.64 c1cnc(nc1)Nc2nnco2 WXVL_AF0087LP0002 [0,0,0,0,0,2|0,0,1]=3