0 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Cl ISN-0032 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.1 [C-]#[N+]c1ccc(cc1)Br ISN-0517 [1,0,0,0,0,0|1,1,1]=4 2 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl ISN-0726 [1,0,0,0,0,0|1,1,1]=4 3 B9R1.1 [C-]#[N+]c1ccc(cc1)F ISN-0523 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.1 c1cc(ccc1NN)I AHY-0045 [1,0,0,0,0,0|1,1,0]=3 5 B9R1.8 [C-]#[N+]Cc1ccccc1 ISN-0155 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 [C-]#[N+]Cc1cccnc1 ISN-0012 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.1 Cc1ccc(cc1)SCCN MIX-0962 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.1 c1cc(ccc1SCCN)Cl MIX-0983 [0,1,0,0,0,0|0,1,0]=2 9 B11R1.22 CC(c1ccc(cc1)Cl)[N+]#[C-] ISN-0281 [0,1,0,0,0,0|2,1,0]=4 10 B11R1.22 Cc1ccc(cc1)C(CO)N BAL-0043 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.22 c1cc(ccc1C(CO)N)Cl BAL-0031 [0,1,0,0,0,0|1,1,0]=3 12 B11R1.83 CCOc1ccc(cc1)[N+]#[C-] ISN-0531 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.83 COc1ccc(cc1)C[N+]#[C-] ISN-0033 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.3 c1cc(ncc1I)N MIX-0086 [2,0,0,0,0,0|1,1,0]=4 15 B10R1.3 CCc1ccc(cc1)NN AHY-0050 [1,1,0,0,0,0|1,0,0]=3 16 B10R1.3 CCc1ccc(cc1)[N+]#[C-] ISN-0078 [1,1,0,0,0,0|1,0,0]=3 17 B10R1.3 COc1ccc(cc1)NN AHY-0048 [1,1,0,0,0,0|2,0,0]=4 18 B10R1.3 COc1ccc(cc1)[N+]#[C-] ISN-0053 [1,1,0,0,0,0|2,0,0]=4 19 B10R1.3 c1cc(ccc1C#N)NN AHY-0084 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.25 Cc1cc(ccc1NN)Br AHY-0081 [1,1,0,0,0,0|1,1,0]=4 21 B10R1.25 Cc1cc(ccc1NN)Cl AHY-0051 [1,1,0,0,0,0|1,1,0]=4 22 B10R1.25 Cc1ccc(c(c1)Br)NN AHY-0034 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.25 Cc1ccc(c(c1)C)NN AHY-0030 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.25 [C-]#[N+]c1ccc(cc1F)F ISN-0096 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.25 c1cc(c(cc1Br)Br)NN AHY-0087 [1,1,0,0,0,0|1,1,0]=4 26 B10R1.25 c1cc(c(cc1Br)Cl)NN AHY-0094 [1,1,0,0,0,0|1,1,0]=4 27 B10R1.25 c1cc(c(cc1Br)F)NN AHY-0023 [1,1,0,0,0,0|1,1,0]=4 28 B10R1.25 c1cc(c(cc1F)Br)C=O MIX-0611 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.25 c1cc(c(cc1F)Cl)C=O MIX-0629 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.25 c1cc(c(cc1F)F)NN AHY-0011 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.176 Cc1cc(ccc1Br)NN AHY-0111 [1,1,0,0,0,0|1,1,0]=4 32 B10R1.176 Cc1ccc(cc1C)NN AHY-0031 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.176 Cc1ccc(cc1Cl)NN AHY-0002 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.176 c1cc(c(cc1NN)Cl)Cl AHY-0033 [1,1,0,0,0,0|1,1,0]=4 35 B10R1.10 [C-]#[N+]Cc1cccc(c1)I ISN-0514 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.17 [C-]#[N+]CCc1ccncc1 ISN-0736 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.71 CCCCc1ccc(cc1)NN AHY-0038 [0,2,0,0,0,0|2,0,0]=4 38 B12R1.19 c1cc(c(cc1CC(=O)O)F)F PAA-0218 [0,2,0,0,0,0|1,0,1]=4 39 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O PAA-0230 [0,2,0,0,0,0|1,0,1]=4 40 B12R1.5 CCC(C)c1ccc(cc1)NN AHY-0074 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.5 CSc1ccc(cc1)C(CO)N BAL-0018 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.9 CC(CO)(c1ccc(cc1)F)N BAL-0174 [0,2,0,0,0,0|1,0,0]=3 43 B12R1.367 Cc1ccc(cc1C)C(CO)N BAL-0321 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.1703 Cc1ccc(c(c1)C)C(CO)N BAL-0009 [0,2,0,0,0,0|2,0,0]=4 45 B8R1.8 c1cn(cn1)CCN AEZ-0001 [1,0,0,0,1,0|2,0,0]=4 46 B8R1.8 c1cn(cn1)CCN MIX-1087 [1,0,0,0,1,0|2,0,0]=4 47 B8R1.8 c1cnn(c1)CCN AEZ-0002 [1,0,0,0,1,0|2,0,0]=4