0 B10R1.61 c1ccc(c(c1)C(=N)N)F EB12007 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 CC(c1ccccn1)O EB60161 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.6 CC(c1cccnc1)O EB60160 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.6 CC(c1ccncc1)O EB60159 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.6 c1cc(cnc1)C(=N)N EB12024 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.6 c1ccnc(c1)C(=N)N EB12023 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.6 c1cnc(cn1)C(=O)Cl EB15016 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.6 c1cnccc1C(=N)N EB12025 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.159 c1cc(c(c(c1)N)Br)C(=O)O EB61481 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.159 c1cc(c(c(c1)N)I)C(=O)O EB61480 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.159 c1cc(c(c(c1)N)N)C(=O)O EB60703 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl EB15022 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.167 c1cc(c(cc1Br)C(=O)Cl)Cl EB15033 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.86 Cc1ccccc1CC(=N)N EB12048 [0,0,0,0,0,1|3,0,0]=4 14 B11R1.86 Cc1ccccc1CC(=O)Cl EB15014 [0,0,0,0,0,1|2,0,0]=3 15 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl EB12093 [0,0,0,0,0,1|3,0,0]=4 16 B11R1.86 c1ccc(c(c1)CC(=N)N)F EB12046 [0,0,0,0,0,1|3,0,0]=4 17 B10R1.13 Cc1ccc(cc1)C(=N)N EB12011 [1,1,0,0,0,0|2,0,0]=4 18 B10R1.13 c1cc(ccc1C(=N)N)Br EB12004 [1,1,0,0,0,0|2,0,0]=4 19 B10R1.13 c1cc(ccc1C(=N)N)Cl EB12029 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.13 c1cc(ccc1C(=N)N)F EB12014 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.15 CC(c1ccccc1)NO EB60372 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.15 C\C(=N\O)\c1ccccn1 EB60142 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.15 C\C(=N\O)\c1cccnc1 EB60141 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.15 C\C(=N\O)\c1ccncc1 EB60140 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.15 c1ccc(cc1)C(=O)CN EB60794 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.15 c1ccc(cc1)C(=O)CS EB61534 [1,1,0,0,0,0|0,1,0]=3 27 B10R1.15 c1ccc(cc1)C(CS)O EB61535 [1,1,0,0,0,0|0,1,1]=4 28 B10R1.113 Cc1cccc(c1)C(=N)N EB12010 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.113 c1cc(cc(c1)Br)C(=N)N EB12034 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.113 c1cc(cc(c1)Cl)C(=N)N EB12019 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.113 c1cc(cc(c1)F)C(=N)N EB12060 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.20 C#Cc1ccccc1C=O EB60049 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.75 COc1ccccc1CC(=N)N EB12045 [0,1,0,0,0,1|2,0,0]=4 34 B12R1.75 COc1ccccc1CC(=O)Cl EB15004 [0,1,0,0,0,1|1,0,0]=3 35 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)Cl EB15009 [0,1,0,0,0,1|2,0,0]=4 36 B12R1.371 Cc1ccccc1CC(=O)CCl EB15218 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.371 c1ccc(c(c1)CC(=O)CCl)Br EB15223 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.371 c1ccc(c(c1)CC(=O)CCl)Cl EB15203 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.371 c1ccc(c(c1)CC(=O)CCl)F EB15208 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)Cl)Cl EB15008 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)Cl)F EB15035 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.261 CC(=O)c1ccccc1C(=O)Cl EB15027 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.24 COC(=O)c1cccc(c1Br)N EB61474 [0,2,0,0,0,0|1,0,0]=3 44 B12R1.24 COC(=O)c1cccc(c1I)N EB61479 [0,2,0,0,0,0|1,0,0]=3 45 B12R1.308 CCOC(=N)c1ccccc1F EB12110 [0,2,0,0,0,0|2,0,0]=4 46 B10R1.66 c1cc(oc1)C#CC(=O)O EB11258 [0,0,1,1,0,0|0,0,2]=4 47 B8R1.7 CC(=O)c1cc[nH]c1 EB60661 [1,0,0,0,1,0|2,0,0]=4 48 B12R1.125 Cc1ccccc1C#CC(=O)O EB11260 [0,0,0,0,0,2|1,0,0]=3 49 B12R1.125 c1ccc(c(c1)C#CC(=O)O)Cl EB11252 [0,0,0,0,0,2|1,0,0]=3 50 B12R1.125 c1ccc(c(c1)C#CC(=O)O)F EB11263 [0,0,0,0,0,2|1,0,0]=3