0 B10R1.30 CNC1=NC(F)=CC=C1Cl 102382 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.30 O=CC1=CC(F)=CC=C1F 102033 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.30 OCC1=CC(F)=CC=C1F 102036 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.2 CC1=CC=NC(C#N)=C1 1228 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.2 CC1=NC(C#N)=CC=C1 1226 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.2 CNC1=CC=CC(F)=N1 101262 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.2 COC1=CC=CC(F)=N1 102386 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.2 NCC1=CC=CC(Cl)=C1 102537 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.2 NCC1=CC=CC(N)=C1 102876 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 [NH3+]CC1=CC=CC(Cl)=C1 102479 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.2 [NH3+]CC1=CC=CC(O)=C1 102221 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.15 CC1=CC=CC=C1CCl 16097 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.15 NCC1=C(O)C=CC=C1 103068 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 O=CC1=C(Cl)C=CC=C1 15855 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 O=CC1=CC=CC=C1O 20957 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.69 CC1=CC(O)=CC=C1Br 16031 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.69 FC1=CC(I)=CC=C1I 102040 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.69 NC1=C(S)C=CC(Cl)=C1 519 [1,0,0,0,0,0|2,1,0]=4 18 B9R1.69 OC1=CC=C(F)N=C1F 100255 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.8 COC1=CC(C)=CC(C)=C1C 102020 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.167 CC1=CC([N+](=O)[O-])=C(N)C=C1 10765 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.167 CC1=CC=C(C)C(C(=O)O)=C1 16548 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.167 CC1=CC=C(F)C(C(=O)O)=C1 102177 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 101177 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1O 101157 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.167 O=[N+]([O-])C1=C(O)C=CC(Cl)=C1 20076 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.167 O=[N+]([O-])C1=CC(F)=CC=C1O 20075 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.277 COC1=C(C)C=C(Br)C(C)=C1 16020 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.280 COC1=CC(CN)=CC=C1O 15578 [0,1,0,0,0,0|0,0,0]=1 29 B11R2.117 CC1=CC=C2CC(=O)C2=C1 16222 [0,0,0,1,0,0|3,0,0]=4 30 B8R0.6 C\C=C\C=C\C(=O)OC 102289 [1,0,1,0,0,0|1,0,0]=3 31 B8R0.7 C\C=C\C=C\C=C(C)C 102628 [1,0,1,0,0,0|1,0,1]=4 32 B8R1.4 CC1=CC=CC(I)=N1 100813 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.4 CC1=CC=C[N+]([O-])=C1 4675 [2,0,0,0,0,0|1,0,1]=4 34 B8R1.4 NC1=CC(F)=CC=C1 20479 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.4 NC1=CC=CC(N)=C1 21487 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.5 CC1=CC=CN=C1O 20633 [2,0,0,0,0,0|1,0,0]=3 37 B8R1.5 FC1=C(I)C=CC=C1 102030 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.5 NC1=CC=CC=C1N 22078 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.3 BrC1=CC=C(Br)C=C1 19131 [2,0,0,0,0,0|2,0,0]=4 40 B10R0.83 COC(=O)\C(O)=C\C=C\C=O 13484 [0,1,1,0,0,0|1,0,1]=4 41 B10R1.8 COC1=NC(F)=CC(Cl)=C1 101253 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.10 CCOC1=CC(Cl)=CC=N1 102384 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.10 CCOC1=CC=CC(F)=N1 102383 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.10 NCCC1=CC(O)=CC=C1 17137 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.113 CN(C)C1=CC(F)=CC=C1 102890 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.176 COC1=CC=C(Br)C(C)=C1 16780 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.176 COC1=CC=C(Cl)C(C)=C1 16021 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.20 CCC1=CC=CC=C1C=O 102267 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.20 COC1=C(C#N)C=NC=C1 20697 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.20 COC1=C(CCl)C=CC=C1 21479 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.25 O=CC1=C(O)C=C(O)C=C1 15667 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.61 CN(C)C1=C(F)C=CC=C1 102910 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.61 O=C(O)C1=C(O)C=CC=C1 15776 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 20069 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.22 CC1=CC(C)=C(N)C(C)=C1 20775 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.22 CC1=CC(C)=[N+]([O-])C(C)=C1 14925 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.118 CC1=CC(Br)=C(C)C=C1Br 11457 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.118 CC1=CC(Cl)=C(C)C=C1Cl 11456 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.704 COC1=C(O)C=CC=C(C)C1=O 19613 [0,1,0,0,0,1|0,0,0]=2 60 B12R1.235 CC1=CC(C=O)=C(O)C(CCl)=C1 19320 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.235 CC1=CC(C=O)=C(O)C(CO)=C1 19319 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.57 COC1=C([N+](=O)[O-])C=CC(N)=C1 20546 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.78 COC1=CC=C(C=O)C=C1OC 15846 [0,2,0,0,0,0|0,0,1]=3 64 B12R1.448 COC1=CC(Cl)=C(Cl)C=C1OC 1130 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.354 CCC(O)C1=CC(C)=CC=C1O 13683 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.127 CC(=O)NC1=C(Cl)C=CC(C)=C1 10901 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.127 CC(=O)NC1=CC(C)=CC=C1C 17107 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.374 C=CCOC1=CC(C)=CC=C1N 20860 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.374 COCOC1=C(F)C=CC(F)=C1 100962 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.449 COC1=CC(OC)=C(Br)C=C1Br 824 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.450 COC1=C(C)C=C(C=O)C(C)=C1 16040 [0,2,0,0,0,0|1,0,0]=3 72 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [0,0,1,1,0,0|1,0,1]=4 73 B10R2.320 CC1CC2=CC=CC=C21 16579 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.782 CC1=CC(C)=C2CCC2=C1C 16571 [0,1,0,1,0,0|2,0,0]=4 75 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 11836 [0,1,0,1,0,0|0,0,1]=3 76 B12R2.44 O=CC1=CC=C2OCOC2=C1 15840 [0,1,0,1,0,0|0,0,1]=3