0 B10R1.18 c1ccc(cc1)CC(=N)N EB12037 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 c1ccnc(c1)NC(=S)N EB60767 [0,0,0,0,0,0|3,1,0]=4 2 B11R1.20 Cc1ccc(cc1)CC(=N)N EB12145 [0,1,0,0,0,0|2,0,0]=3 3 B11R1.20 Cc1ccc(cc1)CC(=O)Cl EB15006 [0,1,0,0,0,0|1,0,0]=2 4 B11R1.20 c1cc(ccc1CC(=N)N)Br EB12082 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.20 c1cc(ccc1CC(=N)N)Cl EB12038 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.20 c1cc(ccc1CC(=N)N)F EB12040 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.20 c1cc(ccc1CC(=O)Cl)Br EB15029 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.40 c1ccc(cc1)CC(=O)CCl EB15200 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.86 Cc1ccccc1CC(=N)N EB12048 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.86 Cc1ccccc1CC(=O)Cl EB15014 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl EB12093 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.86 c1ccc(c(c1)CC(=N)N)F EB12046 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.157 Cc1cccc(c1)CC(=N)N EB12049 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.157 Cc1cccc(c1)CC(=O)Cl EB15005 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.157 c1cc(cc(c1)Cl)CC(=N)N EB12087 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.157 c1cc(cc(c1)Cl)CC(=O)Cl EB15003 [0,1,0,0,0,0|1,0,0]=2 17 B11R2.10 c1ccc2c(c1)nc(o2)N EB33786 [0,0,0,1,0,0|2,0,0]=3 18 B11R2.10 c1ccc2c(c1)nc(o2)S EB33761 [0,0,0,1,0,0|1,1,0]=3 19 B9R1.6 CC(c1ccccn1)O EB60161 [0,0,0,0,1,0|2,0,1]=4 20 B9R1.6 CC(c1cccnc1)O EB60160 [0,0,0,0,1,0|2,0,1]=4 21 B9R1.6 CC(c1ccncc1)O EB60159 [0,0,0,0,1,0|2,0,1]=4 22 B9R1.6 c1cc(cnc1)C(=N)N EB12024 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.6 c1ccnc(c1)C(=N)N EB12023 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.6 c1cnc(cn1)C(=O)Cl EB15016 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.6 c1cnccc1C(=N)N EB12025 [0,0,0,0,1,0|3,0,0]=4 26 B11R1.91 c1cc(cnc1)C#CC(=O)O EB11269 [0,0,0,0,0,1|1,0,1]=3 27 B11R1.91 c1ccc(cc1)CSC(=N)N EB33079 [0,0,0,0,0,1|2,0,0]=3 28 B11R1.91 c1cnccc1C#CC(=O)O EB11268 [0,0,0,0,0,1|1,0,1]=3 29 B10R1.15 CC(c1ccccc1)NO EB60372 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.15 CC(c1cccnc1)NO EB60375 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.15 c1ccc(cc1)C(CN)N EB60239 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.15 c1ccc(cc1)C(CS)O EB61535 [1,1,0,0,0,0|0,1,1]=4 33 B10R1.17 c1ccc(cc1)CN=C=S KEMIT004 [1,1,0,0,0,0|0,1,1]=4 34 B10R1.13 Cc1ccc(cc1)C(=N)N EB12011 [0,1,0,0,1,0|2,0,0]=4 35 B10R1.13 c1cc(ccc1C(=N)N)Br EB12004 [0,1,0,0,1,0|2,0,0]=4 36 B10R1.13 c1cc(ccc1C(=N)N)Cl EB12029 [0,1,0,0,1,0|2,0,0]=4 37 B10R1.13 c1cc(ccc1C(=N)N)F EB12014 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.61 c1ccc(c(c1)C(=N)N)F EB12007 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.113 Cc1cccc(c1)C(=N)N EB12010 [0,1,0,0,1,0|2,0,0]=4 40 B10R1.113 c1cc(cc(c1)Br)C(=N)N EB12034 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.113 c1cc(cc(c1)Cl)C(=N)N EB12019 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.113 c1cc(cc(c1)F)C(=N)N EB12060 [0,1,0,0,1,0|2,0,0]=4 43 B12R1.21 Cc1ccc(cc1)C#CC(=O)O EB11256 [0,1,0,0,0,1|0,0,1]=3 44 B12R1.21 Cc1ccc(cc1)CSC(=N)N EB33002 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.21 Cc1ccc(cc1)OCC(=O)Cl EB15036 [0,1,0,0,0,1|1,0,0]=3 46 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)Cl EB15040 [0,1,0,0,0,1|1,0,1]=4 47 B12R1.21 c1cc(ccc1C#CC(=O)O)Cl EB11254 [0,1,0,0,0,1|0,0,1]=3 48 B12R1.21 c1cc(ccc1C#CC(=O)O)F EB11250 [0,1,0,0,0,1|0,0,1]=3 49 B12R1.21 c1cc(ccc1CSC(=N)N)Br EB33094 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.21 c1cc(ccc1CSC(=N)N)Cl EB33006 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.21 c1cc(ccc1CSC(=N)N)F EB33009 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.21 c1cc(ccc1CSC(=N)N)I EB33000 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.21 c1cc(ccc1\C=C\C(=O)Cl)Cl EB15032 [0,1,0,0,0,1|1,0,1]=4 54 B12R1.27 c1ccc(cc1)\C=C\C(=O)C#N EB60704 [0,1,0,0,0,1|1,0,1]=4 55 B12R1.125 Cc1ccccc1C#CC(=O)O EB11260 [0,1,0,0,0,1|0,0,1]=3 56 B12R1.125 Cc1ccccc1CSC(=N)N EB33088 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.125 c1ccc(c(c1)C#CC(=O)O)Cl EB11252 [0,1,0,0,0,1|0,0,1]=3 58 B12R1.125 c1ccc(c(c1)C#CC(=O)O)F EB11263 [0,1,0,0,0,1|0,0,1]=3 59 B12R1.125 c1ccc(c(c1)CSC(=N)N)Br EB33085 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.125 c1ccc(c(c1)CSC(=N)N)Cl EB33077 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.125 c1ccc(c(c1)CSC(=N)N)F EB33012 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.226 Cc1cccc(c1)C#CC(=O)O EB11259 [0,1,0,0,0,1|0,0,1]=3 63 B12R1.226 Cc1cccc(c1)CSC(=N)N EB33080 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.226 c1cc(cc(c1)Br)CSC(=N)N EB33073 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.226 c1cc(cc(c1)Cl)C#CC(=O)O EB11253 [0,1,0,0,0,1|0,0,1]=3 66 B12R1.226 c1cc(cc(c1)Cl)CSC(=N)N EB33091 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.226 c1cc(cc(c1)F)C#CC(=O)O EB11262 [0,1,0,0,0,1|0,0,1]=3 68 B12R1.226 c1cc(cc(c1)F)CSC(=N)N EB33092 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.4 COc1ccc(cc1)CC(=N)N EB12043 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.4 COc1ccc(cc1)CC(=O)Cl EB15044 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.19 c1cc(c(cc1CC(=N)N)Cl)Cl EB12039 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.19 c1cc(c(cc1CC(=O)Cl)Cl)Cl EB15010 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.49 Cc1ccc(cc1)CC(=O)CCl EB15211 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.49 c1cc(ccc1CC(=O)CCl)Br EB15221 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.49 c1cc(ccc1CC(=O)CCl)Cl EB15202 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.49 c1cc(ccc1CC(=O)CCl)F EB15205 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=N)N EB12067 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)Cl EB15009 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.34 CC(c1ccccc1)N(C=O)O EB61190 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.32 CCOC(=N)Cc1ccccc1 EB12109 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.50 Cc1cccc(c1)CC(=O)CCl EB15210 [0,2,0,0,0,0|1,0,0]=3 82 B12R1.50 c1cc(cc(c1)Br)CC(=O)CCl EB15222 [0,2,0,0,0,0|1,0,0]=3 83 B12R1.50 c1cc(cc(c1)Cl)CC(=O)CCl EB15207 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.50 c1cc(cc(c1)F)CC(=O)CCl EB15226 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.371 Cc1ccccc1CC(=O)CCl EB15218 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.371 c1ccc(c(c1)CC(=O)CCl)Br EB15223 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.371 c1ccc(c(c1)CC(=O)CCl)Cl EB15203 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.371 c1ccc(c(c1)CC(=O)CCl)F EB15208 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.75 COc1ccccc1CC(=N)N EB12045 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.75 COc1ccccc1CC(=O)Cl EB15004 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.1009 c1cc(c(c(c1)Cl)CC(=N)N)Cl EB12104 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)Cl)Cl EB15008 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)Cl)F EB15035 [0,2,0,0,0,0|1,0,0]=3 94 B12R2.606 Cc1ccc2c(c1)nc(o2)N EB33780 [0,1,0,1,0,0|2,0,0]=4 95 B12R2.606 Cc1ccc2c(c1)nc(o2)S EB33755 [0,1,0,1,0,0|1,1,0]=4 96 B12R2.606 Cc1ccc2c(c1)oc(n2)N EB33785 [0,1,0,1,0,0|2,0,0]=4 97 B12R2.606 Cc1ccc2c(c1)oc(n2)S EB33760 [0,1,0,1,0,0|1,1,0]=4 98 B12R2.606 c1cc2c(cc1Br)nc(o2)N EB33777 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.606 c1cc2c(cc1Br)nc(o2)S EB33752 [0,1,0,1,0,0|1,1,0]=4 100 B12R2.606 c1cc2c(cc1Cl)nc(o2)N EB33787 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.606 c1cc2c(cc1Cl)nc(o2)S EB33762 [0,1,0,1,0,0|1,1,0]=4 102 B12R2.606 c1cc2c(cc1Cl)oc(n2)N EB33784 [0,1,0,1,0,0|2,0,0]=4 103 B12R2.606 c1cc2c(cc1Cl)oc(n2)S EB33759 [0,1,0,1,0,0|1,1,0]=4 104 B12R2.606 c1cc2c(cc1F)oc(n2)N EB33779 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.606 c1cc2c(cc1F)oc(n2)S EB33754 [0,1,0,1,0,0|1,1,0]=4 106 B8R1.7 CC(=O)c1cc[nH]c1 EB60661 [0,0,0,0,2,0|2,0,0]=4 107 B12R1.252 c1ccc(cc1)CCSC(=N)N EB33010 [0,0,0,0,0,2|2,0,0]=4