0 B12R1.71 COC1=CC=C(CCC=O)C=C1 M7640 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.71 COC1=CC=C(CN=C=O)C=C1 M7584 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.83 CNCC1=CC=C(OC)C=C1 M12442 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 M0256 [0,1,0,0,0,0|0,0,0]=1 4 B13R1.3 N#CC1=CC=C(\C=C\C(=O)O)C=C1 C7943 [0,1,0,0,0,0|2,0,0]=3 5 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 F8058 [0,1,0,0,0,0|2,0,0]=3 6 B13R1.452 COC1=CC=C(C(=O)CCCl)C=C1 C8977 [0,1,0,0,0,0|1,0,2]=4 7 B13R2.57 BrCC1=CC2=CC=CC=C2C=C1 B2210 [0,0,0,1,0,0|3,0,0]=4 8 B13R2.57 COC1=CC2=CC=CN=C2C=C1 M7483 [0,0,0,1,0,0|2,0,0]=3 9 B13R2.57 N#CC1=CC2=CC=CC=C2C=C1 N0911 [0,0,0,1,0,0|3,0,0]=4 10 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 N0910 [0,0,0,1,0,0|3,0,0]=4 11 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 N2206 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.669 COC1=CC=C2CCC(=O)C2=C1 M2270 [0,0,0,1,0,0|0,0,2]=3 13 B10R1.3 C#CC1=CC=C(OC)C=C1 E17047 [2,0,0,0,0,0|0,0,2]=4 14 B10R1.3 C(=O)C1=CN=C(OC)N=C1 M11855 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.3 C=CC1=CC=C(OC)C=C1 M19314 [2,0,0,0,0,0|0,0,0]=2 16 B10R1.3 CCC1=CC=C(C=O)C=C1 E3199 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.3 COC1=CC=C(CN)C=C1 M2969 [2,0,0,0,0,0|1,0,1]=4 18 B10R1.3 COC1=CC=C(CN)C=C1 M2969 [2,0,0,0,0,0|1,0,1]=4 19 B10R1.3 COC1=CC=C(NN)C=C1 A2369 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.3 COC1=CC=C(SC)C=C1 M3890 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.3 COC1=NC=C(C=O)C=C1 F11437 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.3 CSC1=CC=C(C=O)C=C1 M0736 [2,0,0,0,0,0|0,1,0]=3 23 B10R1.3 N#CC1=CC=C(C=O)C=C1 C3208 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.3 N#CC1=CC=C(C=O)C=C1 C3208 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.3 O=CC1=CC=C(CBr)C=C1 B16705 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.16 O=C\C=C(\Cl)C1=CC=C(Cl)C=C1 C9065 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 H0461 [1,1,0,0,0,0|0,0,2]=4 28 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 M3913 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 M0221 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.21 N=C(N)\C=C\C1=CC=C(Cl)C=C1 C16845 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 A7581 [1,1,0,0,0,0|1,0,0]=3 32 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 H0304 [1,1,0,0,0,0|0,0,2]=4 33 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 F0226 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 H0216 [1,1,0,0,0,0|0,0,0]=2 35 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 H7667 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 E7545 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 M13849 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 M4993 [1,1,0,0,0,0|0,0,1]=3 39 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M1760 [1,1,0,0,0,0|0,0,1]=3 40 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 M1173 [1,1,0,0,0,0|0,0,2]=4 41 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 B0872 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.5 COC1=CC=C(\C(N)=N/O)C=C1 H13794 [1,1,0,0,0,0|1,0,1]=4 43 B14R1.2 COC1=CC=C(C(=O)CC(C)=O)C=C1 M16305 [0,2,0,0,0,0|0,0,1]=3 44 B14R1.3 C=C(C)C(=O)NC1=CC=C(OC)C=C1 M15869 [0,2,0,0,0,0|2,0,0]=4 45 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 M8809 [0,2,0,0,0,0|0,0,2]=4 46 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 M5028 [0,2,0,0,0,0|0,0,2]=4 47 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 T10362 [0,2,0,0,0,0|0,0,2]=4 48 B14R1.3 COC1=CC=C(NC(=S)C(N)=O)C=C1 M9455 [0,2,0,0,0,0|1,0,0]=3 49 B14R1.5 COC(=O)\C=C\C1=CC=C(CBr)C=C1 M3152 [0,2,0,0,0,0|2,0,0]=4 50 B14R1.5 COC(=O)\C=C\C1=CC=C(CBr)C=C1 M3152 [0,2,0,0,0,0|2,0,0]=4 51 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 M8684 [0,2,0,0,0,0|0,0,0]=2 52 B14R1.103 COC1=CC=C(\C=C\C(=O)O)C(O)=C1 H14839 [0,2,0,0,0,0|0,0,0]=2 53 B14R1.419 CN(C)C1=CC=C(\C=C\C(=O)O)C=C1 D8647 [0,2,0,0,0,0|1,0,0]=3 54 B14R1.419 O=C(O)\C=C\C1=CC=C([N+](=O)[O-])C=C1 N8719 [0,2,0,0,0,0|2,0,0]=4 55 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1F F8842 [0,2,0,0,0,0|0,0,0]=2 56 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 M8773 [0,2,0,0,0,0|0,0,2]=4 57 B12R1.78 C(=O)C1=CC(OC)=CC=C1OC D0380 [0,0,1,1,0,0|1,0,1]=4 58 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 B18796 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.24 CC1=CC2=CC=CC=C2C=N1 M19159 [1,0,0,1,0,0|2,0,0]=4 60 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M17739 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.24 CC1=NC2=CC=CC=C2C=C1 Q0957 [1,0,0,1,0,0|2,0,0]=4 62 B12R2.44 CCC1=CC2=C(C=C1)NC=C2 E19161 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2839 [1,0,0,1,0,0|1,0,0]=3 64 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2839 [1,0,0,1,0,0|1,0,0]=3 65 B12R2.44 COC1=CC2=C(C=N1)NC=C2 M19150 [1,0,0,1,0,0|2,0,0]=4 66 B12R2.44 COC1=CC=C2C=NNC2=C1 M12179 [1,0,0,1,0,0|2,0,0]=4 67 B12R2.44 COC1=CC=C2NC=CC2=C1 C0378 [1,0,0,1,0,0|1,0,0]=3 68 B12R2.44 COC1=CC=C2NC=CC2=N1 M12576 [1,0,0,1,0,0|2,0,0]=4 69 B12R2.44 COC1=CC=C2NC=NC2=C1 M17396 [1,0,0,1,0,0|2,0,0]=4 70 B12R2.44 COC1=CC=C2NN=CC2=C1 M12178 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.44 COC1=CC=C2NN=CC2=C1 M12178 [1,0,0,1,0,0|2,0,0]=4 72 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)C2 M8065 [0,1,0,1,0,0|0,0,2]=4 73 B14R2.134 COC1=CC2=C(C=C1)OCC(=O)N2 M17099 [0,1,0,1,0,0|1,0,1]=4 74 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 M8057 [0,1,0,1,0,0|0,0,0]=2 75 B14R2.2332 CCC1=CC2=C(C=C1)C=C(O)C=C2 E7916 [0,1,0,1,0,0|2,0,0]=4 76 B14R2.2332 COC1=CC2=CC=C(C)N=C2C=C1 M7952 [0,1,0,1,0,0|2,0,0]=4 77 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 A0600 [0,1,0,1,0,0|1,0,0]=3 78 B14R2.3274 COC1=CC=C2NC(=O)C(=O)C2=C1 M12051 [0,1,0,1,0,0|1,0,0]=3 79 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 A2208 [0,1,0,1,0,0|2,0,0]=4 80 B14R2.1019 COC1=CC(N)=C2N=CC=CC2=C1 A7994 [0,1,0,1,0,0|2,0,0]=4 81 B14R2.112 OCCC1=CC2=CC=CC=C2C=C1 N11376 [0,1,0,1,0,0|2,0,0]=4 82 B14R2.142 COC1=CC2=C(C=C1)CCCC2=O T6696 [0,1,0,1,0,0|0,0,2]=4 83 B14R2.142 COC1=CC=C2N=CN=C(Cl)C2=C1 C12133 [0,1,0,1,0,0|2,0,0]=4 84 B14R2.142 COC1=CC=C2N=CNC(=O)C2=C1 M12110 [0,1,0,1,0,0|1,0,0]=3 85 B14R2.2497 C(=O)C1=CNC2=CC=C(C#N)C=C21 C11931 [0,1,0,1,0,0|2,0,0]=4 86 B14R2.2497 COC1=CC2=C(C=C1)NC=C2C#N C14299 [0,1,0,1,0,0|1,0,1]=4 87 B14R2.2497 COC1=CC2=C(C=C1)NC=C2CO M14968 [0,1,0,1,0,0|0,0,2]=4 88 B14R2.1801 COC1=CC2=C(C=C1)C(=O)NC=C2 M19382 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.1801 COC1=CC=C2C(=C1)N=CN=C2Cl C12134 [0,1,0,1,0,0|2,0,0]=4 90 B14R2.1801 COC1=CC=C2C(=C1)N=CN=C2Cl C12134 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.1801 COC1=CC=C2C(=O)NC=NC2=C1 M12111 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.1812 COC1=CC2=C(C=C1)C(=O)NC2=O M19437 [0,1,0,1,0,0|1,0,0]=3