0 B8R1.2 C=C[N+]1=CC=CC=C1 180799 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.3 BrC1=NC=NC=C1 080310 [1,0,0,0,0,0|2,0,0]=3 2 B7R1.3 N[N+]1=CC=CC=C1 184347 [1,0,0,0,0,0|3,0,0]=4 3 B7R1.3 N[N+]1=NC=CC=C1 102270 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.1 N#CC1=CN=C(Cl)C=N1 076064 [0,1,0,0,0,0|2,0,1]=4 5 B9R1.2 CCC1=CC(C)=CN=C1 180046 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.2 C[N+]1=CC(CO)=CC=C1 181608 [0,1,0,0,0,0|2,1,0]=4 7 B9R1.6 CC(C)[N+]1=CC=CC=C1 184885 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.8 CCC[N+]1=CC=CC=C1 243010 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.8 CCOC1=CC=CN=C1 180053 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.8 CNCC1=NC=CC=N1 076808 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.8 N#CC[N+]1=CC=CC=C1 181003 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.8 S=C=NC1=NC=CC=C1 101031 [0,1,0,0,0,0|0,0,2]=3 13 B9R1.15 C#CC1=CC=CC=C1O 222906 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.15 CCC1=C(F)C=CC=C1 037698 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.15 NCC1=CC=CC=C1Cl 209763 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.1 NCC1=CSC=N1 358537 [0,0,0,0,1,0|2,0,0]=3 17 B7R1.1 OCN1C=NC=N1 180008 [0,0,0,0,1,0|2,1,0]=4 18 B6R1.1 C1=CC=[NH+]C=C1 180458 [2,0,0,0,0,0|0,0,1]=3 19 B8R1.3 BrC1=CN=C(I)C=N1 038569 [1,1,0,0,0,0|2,0,0]=4 20 B8R1.3 CC1=CC=[N+](C)C=C1 180824 [1,1,0,0,0,0|2,0,0]=4 21 B8R1.3 CC1=CN=C(O)C=N1 077046 [1,1,0,0,0,0|1,0,0]=3 22 B8R1.3 CC1=NC=C(O)C=N1 077095 [1,1,0,0,0,0|1,0,0]=3 23 B8R1.3 SC1=CC=C(S)N=N1 180154 [1,1,0,0,0,0|1,0,0]=3 24 B8R1.3 [2H]C1=CC=C(Br)C=C1 043269 [1,1,0,0,0,0|2,0,0]=4 25 B8R1.4 C[N+]1=CC(Cl)=NC=C1 181726 [1,1,0,0,0,0|2,0,0]=4 26 B8R1.4 C[N+]1=CC(I)=CC=C1 189774 [1,1,0,0,0,0|2,0,0]=4 27 B8R1.4 C[N+]1=CC=CC(N)=C1 181312 [1,1,0,0,0,0|2,0,0]=4 28 B8R1.4 NC1=NC(Br)=CN=C1 076762 [1,1,0,0,0,0|2,0,0]=4 29 B8R1.4 [2H]C1=CC(Br)=CC=C1 043268 [1,1,0,0,0,0|2,0,0]=4 30 B8R1.5 CC1=NNC=NC1=S 188932 [1,1,0,0,0,0|2,0,0]=4 31 B8R1.5 CN1C=CC=NC1=S 099218 [1,1,0,0,0,0|1,0,1]=4 32 B8R1.1 CC1=CSC(CN)=N1 031058 [0,1,0,0,1,0|2,0,0]=4 33 B8R1.1 CN1C=CC(CN)=N1 030481 [0,1,0,0,1,0|2,0,0]=4 34 B8R1.7 CC([NH3+])C1=CC=CS1 031057 [0,1,0,0,1,0|2,0,0]=4 35 B10R1.1 CC1=CN=C(CCO)C=C1 032578 [0,2,0,0,0,0|0,1,0]=3 36 B10R1.13 CN(C)C1=NC=C(Br)C=C1 093291 [0,2,0,0,0,0|2,0,0]=4 37 B10R1.25 FC1=CC(F)=C(CS)C=C1 024358 [0,2,0,0,0,0|1,0,0]=3 38 B10R1.176 CC1=CC=C(C#N)N=C1C 075590 [0,2,0,0,0,0|1,0,1]=4 39 B10R1.2 CC1=C(F)C=CC=C1CBr 342591 [0,2,0,0,0,0|2,0,0]=4 40 B10R1.2 CCC1=CC=CC(C)=C1I 038641 [0,2,0,0,0,0|2,0,0]=4 41 B10R1.8 CC1=CC(CN)=CC(Cl)=C1 062796 [0,2,0,0,0,0|2,0,0]=4 42 B10R1.8 CCC1=CC(Br)=CC(C)=C1 038642 [0,2,0,0,0,0|2,0,0]=4 43 B10R1.8 NCC1=CC(N)=CC(F)=C1 075972 [0,2,0,0,0,0|2,0,0]=4 44 B10R1.10 C=CCC1=CC(Br)=CC=C1 200068 [0,2,0,0,0,0|2,0,0]=4 45 B10R1.10 CC1=CC=CC(CCBr)=C1 020899 [0,2,0,0,0,0|2,0,0]=4 46 B10R1.10 CCSC1=CC(C)=CC=C1 094840 [0,2,0,0,0,0|2,0,0]=4 47 B10R1.10 CCSC1=CC(Cl)=CC=C1 095029 [0,2,0,0,0,0|2,0,0]=4 48 B10R1.10 CNCC1=CC=CC(Cl)=C1 222557 [0,2,0,0,0,0|2,0,0]=4 49 B10R1.10 [C-]#[N+]CC1=CC=CC(Cl)=C1 021061 [0,2,0,0,0,0|2,0,0]=4 50 B10R1.30 CC1=C(CO)C=C(Br)C=C1 403122 [0,2,0,0,0,0|1,1,0]=4 51 B10R1.30 CCC1=C(F)C=CC(F)=C1 105468 [0,2,0,0,0,0|2,0,0]=4 52 B10R1.30 FC1=CC(CS)=C(F)C=C1 024359 [0,2,0,0,0,0|1,0,0]=3 53 B10R1.30 OCC1=CC(Br)=CC=C1Br 229556 [0,2,0,0,0,0|1,1,0]=4 54 B10R1.113 O=C(Cl)C1=CC=CC(Br)=N1 402790 [0,2,0,0,0,0|0,1,1]=4 55 B10R1.15 C=C(CO)C1=CC=CC=N1 180101 [0,2,0,0,0,0|0,1,0]=3 56 B10R1.15 CCC(C)C1=NC=CC=C1 102205 [0,2,0,0,0,0|1,0,0]=3 57 B10R1.15 OC(CF)c1ccccc1 195755 [0,2,0,0,0,0|1,1,0]=4 58 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [0,2,0,0,0,0|2,0,0]=4 59 B10R1.28 CC(F)(F)C1=NC=CC=C1 038380 [0,2,0,0,0,0|1,0,0]=3 60 B10R1.61 FC1=CC=CN=C1C(F)F 099827 [0,2,0,0,0,0|1,0,0]=3 61 B10R1.4 CNCC1=CC=CC=C1Cl 060304 [0,2,0,0,0,0|2,0,0]=4 62 B10R1.4 [O-][N+]1=CC=CC=C1CCO 180119 [0,2,0,0,0,0|0,1,1]=4 63 B10R1.17 CCCCC1=CC=CC=N1 180367 [0,2,0,0,0,0|1,0,0]=3 64 B10R1.17 O\N=C\CC1=CC=CC=C1 180100 [0,2,0,0,0,0|1,1,0]=4 65 B10R1.20 CCC1=CC=CC=C1CBr 246564 [0,2,0,0,0,0|2,0,0]=4