0 B10R1.13 CC1=CC=C(C(=N)N)C=C1 EB12011 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 EB12004 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 EB12029 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.13 N=C(N)C1=CC=C(F)C=C1 EB12014 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 CC(O)C1=CC=CC=N1 EB60161 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.6 CC(O)C1=CC=CN=C1 EB60160 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.6 CC(O)C1=CC=NC=C1 EB60159 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.6 N=C(N)C1=CC=CN=C1 EB12024 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.6 N=C(N)C1=CC=NC=C1 EB12025 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.6 N=C(N)C1=NC=CC=C1 EB12023 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.6 O=C(Cl)C1=NC=CN=C1 EB15016 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.3 COC1=CC=C(C(=N)N)C=C1 EB12012 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.21 CC1=C(C)C=C(C(=O)Cl)C=C1 EB15015 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.22 CC1=CC=C(C(=O)C[NH3+])C=C1 EB60798 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 EB61597 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.22 [NH3+]CC(=O)C1=CC=C(F)C=C1 EB60797 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.166 CC1=CC(C)=C(C(=O)Cl)C=C1 EB15022 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 EB12145 [0,0,0,0,0,1|3,0,0]=4 18 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 EB15006 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.20 N=C(N)CC1=CC=C(Br)C=C1 EB12082 [0,0,0,0,0,1|3,0,0]=4 20 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 EB12038 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.20 N=C(N)CC1=CC=C(F)C=C1 EB12040 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 EB15029 [0,0,0,0,0,1|2,0,0]=3 23 B10R1.3 C(=O)C1=CC=C(C#C)C=C1 EB60051 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.176 CC1=C(C)C=C(C=O)C=C1 KEMAR010 [1,1,0,0,0,0|1,0,0]=3 25 B10R1.15 CC(NO)C1=CC=CC=C1 EB60372 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.15 C\C(=N\O)C1=CC=CC=N1 EB60142 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.15 C\C(=N\O)C1=CC=CN=C1 EB60141 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.15 C\C(=N\O)C1=CC=NC=C1 EB60140 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.15 NCC(=O)C1=CC=CC=C1 EB60794 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.15 O=C(CS)C1=CC=CC=C1 EB61534 [1,1,0,0,0,0|0,1,0]=3 31 B10R1.15 OC(CS)C1=CC=CC=C1 EB61535 [1,1,0,0,0,0|0,1,1]=4 32 B10R1.15 OCC(S)C1=CC=CC=C1 EB04031 [1,1,0,0,0,0|0,1,1]=4 33 B10R1.61 N=C(N)C1=C(F)C=CC=C1 EB12007 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.113 CC1=CC=CC(C(=N)N)=C1 EB12010 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 EB12034 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.113 N=C(N)C1=CC(Cl)=CC=C1 EB12019 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.113 N=C(N)C1=CC(F)=CC=C1 EB12060 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 EB12043 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.4 COc1ccc(CC(=O)Cl)cc1 EB15044 [0,1,0,0,0,1|1,0,0]=3 40 B12R1.19 O=C(Cl)CC1=CC=C(Cl)C(Cl)=C1 EB15010 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.49 CC1=CC=C(CC(=O)CCl)C=C1 EB15211 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.49 O=C(CCl)CC1=CC=C(Br)C=C1 EB15221 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.49 O=C(CCl)CC1=CC=C(Cl)C=C1 EB15202 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.49 O=C(CCl)CC1=CC=C(F)C=C1 EB15205 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.233 O=C(Cl)CC1=CC=C(Cl)C=C1Cl EB15009 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.5 COC1=CC=C(C(=O)C[NH3+])C=C1 EB60795 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.5 CSC1=CC=C(C(=O)CBr)C=C1 EB04123 [0,2,0,0,0,0|1,1,0]=4 48 B12R1.5 CSC1=CC=C(C(=O)CN)C=C1 EB04110 [0,2,0,0,0,0|1,1,0]=4 49 B12R1.367 CC1=C(F)C=CC(C(=O)CBr)=C1 EB04109 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.367 CC1=CC(C(=O)CN)=CC=C1F EB61186 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 EB61598 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.16 CCOC(=N)C1=CC=C(Br)C=C1 EB12126 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.16 CCOC(=N)C1=CC=C(C)C=C1 EB12108 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.16 CCOC(=N)C1=CC=C(Cl)C=C1 EB12117 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.16 CCOC(=N)C1=CC=C(F)C=C1 EB12111 [0,2,0,0,0,0|2,0,0]=4 56 B12R2.606 CC1=CC=C2N=C(N)OC2=C1 EB33785 [0,0,0,1,0,1|2,0,0]=4 57 B12R2.606 CC1=CC=C2N=C(S)OC2=C1 EB33760 [0,0,0,1,0,1|1,1,0]=4 58 B12R2.606 FC1=CC=C2N=C(S)OC2=C1 EB33754 [0,0,0,1,0,1|1,1,0]=4 59 B12R2.606 NC1=NC2=CC=C(Cl)C=C2O1 EB33784 [0,0,0,1,0,1|2,0,0]=4 60 B12R2.606 NC1=NC2=CC=C(F)C=C2O1 EB33779 [0,0,0,1,0,1|2,0,0]=4 61 B12R2.606 SC1=NC2=CC=C(Cl)C=C2O1 EB33759 [0,0,0,1,0,1|1,1,0]=4 62 B8R1.1 O=CC1=CC=C(Br)O1 KEMAR006 [1,0,0,0,1,0|2,0,0]=4 63 B8R1.7 CC(=O)C1=CNC=C1 EB60661 [1,0,0,0,1,0|2,0,0]=4 64 B10R1.18 N=C(N)CC1=CC=CC=C1 EB12037 [1,0,0,0,0,1|2,0,0]=4 65 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 EB11256 [0,0,0,0,0,2|1,0,0]=3 66 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 EB15036 [0,0,0,0,0,2|2,0,0]=4 67 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 EB15040 [0,0,0,0,0,2|2,0,0]=4 68 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Cl)C=C1 EB15032 [0,0,0,0,0,2|2,0,0]=4 69 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 EB11254 [0,0,0,0,0,2|1,0,0]=3 70 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 EB11250 [0,0,0,0,0,2|1,0,0]=3