0 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 032678 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 CN(C)C1=NC=C(Br)C=C1 093291 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.6 CC(C)[N+]1=CC=CC=C1 184885 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.3 COC1=CC=C(B(O)O)C=N1 219839 [0,1,0,0,0,0|3,0,0]=4 4 B11R1.3 N=C(N)C1=CC=C(CN)C=C1 011383 [0,1,0,0,0,0|2,0,1]=4 5 B11R1.19 CC(C)(C)C1=CC=[N+]([O-])C=C1 403463 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.19 CC(F)(F)C1=CC=C(Cl)C=C1 101883 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.19 CC(F)(F)C1=CC=C(I)C=C1 492178 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.19 CC(F)(F)C1=CN=C(Cl)C=C1 099951 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 181236 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 181734 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 182742 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.19 CC1=CC=C(S([NH-])(=O)=O)C=C1 180620 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.19 [2H]C([2H])([2H])C1=CC=C(Br)C=C1 043261 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.21 CC(C)C1=CC(Br)=C(Cl)C=C1 037568 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.21 CC(C)C1=CC(Br)=C(I)C=C1 035646 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.21 CC1=C(C)C=C(C(N)=S)C=C1 097861 [0,1,0,0,0,0|1,1,1]=4 17 B11R1.21 CC1=C(F)C=CC(C(F)F)=C1 440267 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.21 C[C@@H](N)C1=CC=C(F)C(F)=C1 210212 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.21 FC(F)C1=CC(I)=C(Br)C=C1 050227 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.21 NC1=C(F)C=CC(C(F)F)=C1 098651 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 180337 [0,1,0,0,0,0|0,0,2]=3 22 B11R1.166 CC1=CC(Br)=C(C(=O)Cl)C=C1 062786 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.166 CS(=O)C1=C(F)C=C(F)C=C1 064546 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.166 C[S+](C)C1=C(O)C=C(O)C=C1 021801 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.166 C[S+](C)C1=C(O)C=C(O)C=C1 021821 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.20 C=C(C)CC1=CC=C(Cl)C=C1 200111 [0,0,0,0,0,1|2,0,1]=4 27 B11R1.20 CC(C)OC1=CC=C(F)C=C1 098420 [0,0,0,0,0,1|2,0,0]=3 28 B8R1.3 CC1=CC=[N+](C)C=C1 180824 [2,0,0,0,0,0|1,0,0]=3 29 B8R1.3 CC1=CN=C(O)C=N1 077046 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.3 CC1=NC=C(O)C=N1 077095 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.3 [2H]C1=CC=C(Br)C=C1 043269 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.1 CC1=CN=C(CCO)C=C1 032578 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.25 COC1=C(Br)C=C(S)C=C1 038040 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.25 COC1=C(Cl)C=C(S)C=C1 038033 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.25 COC1=C(S)C=C(Br)C=C1 038041 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.25 COC1=CC=C(F)C=C1I 075745 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.25 COC1=CC=C(S)C=C1C 038027 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.25 COC1=CC=C(S)C=C1F 023073 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.25 CSC1=C(Cl)C=C(Cl)C=C1 019344 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.25 FC1=CC(F)=C(CS)C=C1 024358 [1,1,0,0,0,0|1,1,0]=4 41 B10R1.176 C(=O)C1=CC(Cl)=C(C)C=C1 208274 [1,1,0,0,0,0|0,0,2]=4 42 B10R1.176 COC1=CC(Br)=C(S)C=C1 038759 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.176 COC1=CC=C(Cl)C(S)=C1 037969 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.15 CCC(C)C1=NC=CC=C1 102205 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.15 C\C(=N\O)C1=CC=CC=C1 184803 [1,1,0,0,0,0|0,0,1]=3 46 B10R1.15 OC(CF)c1ccccc1 195755 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.28 CC(F)(F)C1=CC=NC=C1 038381 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.28 CC(F)(F)C1=CN=CC=C1 038382 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.28 CC(F)(F)C1=NC=CC=C1 038380 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.4 COC1=CC=C(NC(C)C)C=C1 020629 [0,1,0,0,0,1|1,0,0]=3 52 B12R1.19 CC1=C(Br)C=CC(OC(C)C)=C1 097794 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.233 CC(C)OC1=C(Cl)C=C(F)C=C1 013286 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.233 CC(C)OC1=C(F)C=C(N)C=C1 038778 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.233 CC(C)SC1=C(Cl)C=C(Cl)C=C1 094678 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.233 CC1=CC=C(OC(F)F)C(N)=C1 030396 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 216655 [0,2,0,0,0,0|0,0,2]=4 58 B12R1.6 CCC1=CC=C(S(C)(=O)=O)C=C1 019373 [0,2,0,0,0,0|1,0,1]=4 59 B12R1.113 OCCC1=CC=C(B(O)O)C=C1 307116 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.256 CC(C)C1=CC=C(C(=O)Cl)C=C1 014688 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.9 FC(F)(CBr)C1=CC=C(Br)C=C1 036197 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.9 FC1=CC=C(C(F)(F)CBr)C=C1 094682 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.9 FC1=CC=C(C(F)(F)CCl)C=C1 101653 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.23 CC(C)(C)C1=CC=C(Br)C(N)=C1 037728 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.23 CC(C)(C)C1=CC=C(Cl)C(N)=C1 037729 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.23 CC(C)(C)C1=CC=C(I)C(N)=C1 037730 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.126 CC(F)(F)C1=C(F)C=C(Cl)C=C1 101911 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.126 CC(F)(F)C1=C(F)C=C(F)C=C1 101921 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1C 044221 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.16 CC(\N=C\O)C1=CC=[N+](C)C=C1 180726 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.1703 CNC(=O)C1=C(F)C=C(C)C=C1 104543 [0,2,0,0,0,0|0,0,2]=4 72 B12R1.1703 C\C(=N\O)C1=CC=C(Cl)C=C1Cl 075984 [0,2,0,0,0,0|1,0,1]=4 73 B10R2.6 C1=CC(C2CC2)=CC=N1 024707 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.9 C(=O)C1=CC=C(C2CC2)C=C1 039873 [0,1,0,1,0,0|1,0,1]=4 75 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 064446 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.7 CC([NH3+])C1=CC=CS1 031057 [1,0,0,0,1,0|2,0,0]=4