0 B10R1.3 BrCC1=CC=C(CBr)C=C1 11611 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.3 COC1=CC=C(C=O)C=C1 15415 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.3 COC1=CC=C(CN)C=C1 13748 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.3 O=CC1=CC=C(C=O)C=C1 15842 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.3 O=CC1=CC=C(CBr)C=C1 22181 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.1 FC1=CC=C(CBr)C=C1 102290 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.1 NC1=CC=C(C=O)C=C1 15833 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.1 O=CC1=CC=C(O)C=C1 15844 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.1 O=NC1=CC=C(Br)C=C1 18679 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 17245 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 12242 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.83 O\N=C/C1=CC=C(OC)C=C1 20664 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.279 C(=O)C1=CC(Cl)=C(OC)C=C1 21820 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.279 COC1=CC=C(C=O)C=C1O 15839 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.24 COC(=O)\C=C\C(=O)OC 732 [0,0,1,0,0,0|2,0,0]=3 15 B11R2.190 COC1=CC=C2CCC2=C1 16570 [0,0,0,1,0,0|1,0,0]=2 16 B8R0.6 C\C=C\C=C\C(=O)OC 102289 [1,0,1,0,0,0|2,0,0]=4 17 B8R1.3 BrC1=CC=C(Br)C=C1 19131 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.1 CCOC1=CC=C(Br)C=C1 100870 [1,1,0,0,0,0|1,0,0]=3 19 B10R1.1 NCCC1=CC=C(O)C=C1 15431 [1,1,0,0,0,0|1,0,0]=3 20 B10R1.1 NCCC1=CC=C(O)C=C1 17135 [1,1,0,0,0,0|1,0,0]=3 21 B10R1.1 O\N=CC1=CC=C(C)C=C1 20713 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.1 O\N=C\C1=CC=C(O)C=C1 15709 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15778 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.13 CN(C)C1=CC=C(F)C=C1 102911 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.13 O=C(O)C1=CC=C(O)C=C1 15302 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 20068 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.25 CC1=CC=C(CCl)C(C)=C1 16098 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.25 O=CC1=C(O)C=C(O)C=C1 15667 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.176 COC1=CC=C(Br)C(C)=C1 16780 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.176 COC1=CC=C(Cl)C(C)=C1 16021 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.176 NCC1=CC(O)=C(O)C=C1 20755 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 11835 [0,2,0,0,0,0|2,0,0]=4 33 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 15303 [0,2,0,0,0,0|0,0,0]=2 34 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 100166 [0,2,0,0,0,0|1,0,0]=3 35 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 20913 [0,2,0,0,0,0|2,0,0]=4 36 B12R1.5 O\N=C(\C)C1=CC=C(OC)C=C1 20505 [0,2,0,0,0,0|1,0,0]=3 37 B12R1.6 COC1=CC=C(S(N)(=O)=O)C=C1 848 [0,2,0,0,0,0|1,1,0]=4 38 B12R1.6 COC1=CC=C([Si](C)(C)C)C=C1 100502 [0,2,0,0,0,0|1,0,0]=3 39 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 101106 [0,2,0,0,0,0|1,0,0]=3 40 B12R1.256 C[S+](C)C1=CC=C([S+](C)C)C=C1 15049 [0,2,0,0,0,0|0,2,0]=4 41 B12R1.452 COC1=CC=C(C(=O)O)C(C)=C1 15233 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.452 COC1=CC=C([N+](=O)[O-])C(C)=C1 22234 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.452 COC1=CC=C([N+](=O)[O-])C(N)=C1 20476 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 17114 [0,2,0,0,0,0|1,0,0]=3 45 B12R1.4 N(C(C)=O)C1=CC=C(OC)N=C1 20381 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.71 C#CCOC1=CC=C(C=O)C=C1 19216 [0,2,0,0,0,0|2,0,0]=4 47 B12R1.71 C=C\C=C\C1=CC=C(OC)C=C1 100513 [0,2,0,0,0,0|1,0,1]=4 48 B12R1.71 COC1=CC=C(C[Se]C#N)C=C1 20015 [0,2,0,0,0,0|0,1,1]=4 49 B12R1.116 BrCCC1=CC=C(CCBr)C=C1 10802 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.116 ClCCC1=CC=C(CCCl)C=C1 10801 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.116 ICCC1=CC=C(CCI)C=C1 10803 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.116 NCCC1=CC=C(CCN)C=C1 11616 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.116 NCCC1=CC=C(CCN)C=C1 12034 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.288 COC1=C(O)C=C(CCN)C=C1 15339 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.288 COC1=C(O)C=C(CCN)C=C1 15348 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.288 COC1=C(O)C=C(CC[NH3+])C=C1 15347 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.78 COC1=CC=C(C=O)C=C1OC 15846 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.450 COC1=C(C)C=C(C=O)C(C)=C1 16040 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.653 COC1=CC=C(C=O)C(C)=C1C 16027 [0,2,0,0,0,0|2,0,0]=4 60 B12R2.2107 COC1=CC=C2C(=C1)CC2O 16156 [0,1,0,1,0,0|1,0,0]=3 61 B12R2.2107 COC1=CC=C2C(=O)CC2=C1 16231 [0,1,0,1,0,0|1,0,0]=3 62 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 11836 [0,1,0,1,0,0|2,0,0]=4 63 B12R2.44 O=CC1=CC=C2OCOC2=C1 15840 [0,1,0,1,0,0|2,0,0]=4 64 B12R2.326 COC1=CC=C2CC(=O)C2=C1 16234 [0,1,0,1,0,0|1,0,1]=4 65 B12R3.283 C1=C2CCC2=CC3=C1CC3 16431 [0,0,0,2,0,0|2,0,0]=4