0 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 20763 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.509 [O-][N+](O)(O)[Hg]C1=CC=CC=C1 20771 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [1,0,0,0,0,0|0,0,2]=3 3 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [1,0,0,0,0,0|1,0,1]=3 7 B12R1.151 CC1=CC=CC=C1C[Si](C)(C)C 16767 [0,1,0,0,0,0|1,1,0]=3 8 B12R1.151 C[Si](C)(C)CC1=CC=CC=C1Cl 16024 [0,1,0,0,0,0|1,1,0]=3 9 B12R1.564 CC(C)(C)[S@+]([O-])C1=CC=CC=C1 18220 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.564 CC(C)(C)[S@@+]([O-])C1=CC=CC=C1 18405 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.564 CC(C)(O)C(O)C1=CC=CC=C1 1124 [0,1,0,0,0,0|0,0,0]=1 12 B12R2.95 O=S1(=O)CC2=CC=CC=C2C1 16358 [0,0,0,1,0,0|2,0,1]=4 13 B10R1.28 CC(C)(C)C1=CC=CCC1 20176 [0,0,0,0,1,0|1,0,2]=4 14 B12R1.891 CC(C)(C)\C=C/C1=CC=CC=C1 100538 [0,0,0,0,0,1|1,0,1]=3 15 B12R1.891 C[Si](C)(C)\C=C\C1=CC=CC=C1 103081 [0,0,0,0,0,1|1,1,1]=4 16 B9R1.8 COCC1=CC=CC=C1 102522 [2,0,0,0,0,0|1,0,0]=3 17 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [2,0,0,0,0,0|0,0,2]=4 18 B9R1.8 NCCC1=CC=CC=C1 11614 [2,0,0,0,0,0|1,0,0]=3 19 B9R1.8 NCCC1=CC=CC=C1 12328 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.20 CC(C)CC1=CC=C(O)C=C1 17197 [1,1,0,0,0,0|0,0,0]=2 22 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 102171 [1,1,0,0,0,0|1,0,1]=4 23 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 20773 [1,1,0,0,0,0|1,0,1]=4 24 B11R1.36 CC(C)C(C)C1=CC=CC=C1 15777 [1,1,0,0,0,0|0,0,0]=2 25 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 102534 [1,1,0,0,0,0|1,0,1]=4 26 B11R1.36 [NH3+]C(C(=O)O)C1=CC=CC=C1 102467 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [1,1,0,0,0,0|0,0,2]=4 28 B11R1.40 FCC(F)CC1=CC=CC=C1 102361 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 102170 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20759 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.86 O=C(O)CC1=CC=CC=C1Cl 102178 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.86 O=C(O)CC1=CC=CC=C1O 19282 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 102173 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 102158 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 102175 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.7 CC(F)(C#N)C1=CC=CC=C1 100861 [0,1,0,0,1,0|1,0,1]=4 37 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 102659 [0,1,0,0,1,0|2,0,0]=4 38 B11R1.19 C[Si](C)(C)C1=CC=C(F)C=C1 101954 [0,1,0,0,1,0|1,1,0]=4 39 B11R1.87 CC(C)(O)C1=CC=CC=C1F 102035 [0,1,0,0,1,0|0,0,0]=2 40 B11R1.87 C[Si](C)(C)C1=C(Cl)C=CC=C1 100918 [0,1,0,0,1,0|1,1,0]=4 41 B11R1.87 C[Si](C)(C)C1=C(F)C=CC=C1 100822 [0,1,0,0,1,0|1,1,0]=4 42 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 19494 [0,1,0,0,0,1|1,0,1]=4 43 B13R1.353 CC(C)(C)S(=O)NC1=CC=CC=C1 102203 [0,1,0,0,0,1|2,0,0]=4 44 B13R1.353 CC(C)(O)C(=O)CC1=CC=CC=C1 100957 [0,1,0,0,0,1|0,0,0]=2 45 B11R2.59 CC1(C)CC2=CC=CC=C21 16581 [1,0,0,1,0,0|0,0,0]=2 46 B11R2.59 CC1(O)CC2=CC=CC=C21 16426 [1,0,0,1,0,0|0,0,0]=2 47 B11R2.59 ClC1(Cl)CC2=CC=CC=C21 16569 [1,0,0,1,0,0|2,0,0]=4 48 B11R2.59 [2H]C1(O)CC2=CC=CC=C21 16155 [1,0,0,1,0,0|1,0,0]=3 49 B13R2.18448 C[Si](C)(C)C1CC2=CC=CC=C21 16573 [0,0,0,1,0,1|1,1,0]=4 50 B13R2.243 CC1(O)CC2=CC=CC=C2C1=O 16494 [0,1,0,1,0,0|0,0,1]=3 51 B9R1.6 O=C(O)C1=CC=CC=C1 15736 [1,0,0,0,1,0|1,0,1]=4 52 B11R1.91 CC(C)\C=C/C1=CC=CC=C1 100514 [1,0,0,0,0,1|0,0,1]=3 53 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [1,0,0,0,0,1|1,0,1]=4