0 B8R1.2 N#CC1=CC=CN=C1 c08847 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.3 NC1=CC=NC=C1 c08484 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.1 OCC1=CC=C(O)C=C1 c08578 [0,1,0,0,0,0|0,0,0]=1 3 B9R1.6 CC(=O)C1=CC=CC=C1 c08846 [0,1,0,0,0,0|0,0,2]=3 4 B9R1.6 NC(=O)C1=CC=CC=C1 a03942 [0,1,0,0,0,0|0,0,2]=3 5 B9R1.6 NC(=S)C1=NC=CC=C1 a01427 [0,1,0,0,0,0|1,1,1]=4 6 B9R1.6 O=C(O)C1=CC=CC=C1 e00688 [0,1,0,0,0,0|0,0,1]=2 7 B9R1.6 OB(O)C1=CC=CC=C1 c00853 [0,1,0,0,0,0|1,0,0]=2 8 B9R1.8 BrCC[N+]1=CC=CC=C1 a01518 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.8 C\C=C\C1=NC=CC=C1 a03932 [0,1,0,0,0,0|2,0,1]=4 10 B9R1.8 O\N=C\C1=CC=CN=C1 c05004 [0,1,0,0,0,0|1,0,1]=3 11 B7R1.1 Cl[Hg]C1=CC=CO1 a01510 [0,0,0,0,1,0|3,0,0]=4 12 B7R1.1 NCC1=CSC=C1 a02714 [0,0,0,0,1,0|2,0,0]=3 13 B8R1.3 CC1=CC=C(I)C=C1 a06235 [1,1,0,0,0,0|0,0,0]=2 14 B8R1.4 BrC1=CC=CC(Br)=N1 c08614 [1,1,0,0,0,0|2,0,0]=4 15 B8R1.4 CC1=CC(N)=NC=C1 c08163 [1,1,0,0,0,0|1,0,0]=3 16 B8R1.4 OC1=CC=CC(O)=N1 c08627 [1,1,0,0,0,0|1,0,0]=3 17 B8R1.5 C[N+]1=C(I)C=CC=C1 a01511 [1,1,0,0,0,0|1,0,0]=3 18 B8R1.1 CC1=NNC(CO)=C1 a01830 [0,1,0,0,1,0|2,0,0]=4 19 B8R1.8 CNCC1=CC=CS1 a02709 [0,1,0,0,1,0|2,0,0]=4 20 B8R1.8 CNCC1=CSC=C1 a02711 [0,1,0,0,1,0|2,0,0]=4 21 B8R1.8 O\N=C\C1=CC=CS1 c00538 [0,1,0,0,1,0|1,0,1]=4 22 B8R1.8 O\N=C\C1=COC=C1 a02285 [0,1,0,0,1,0|1,0,1]=4 23 B10R1.1 O\N=C\C1=CC=C(O)C=C1 c05010 [0,2,0,0,0,0|0,0,1]=3 24 B10R1.13 CC(N)C1=CC=C(O)C=C1 c07375 [0,2,0,0,0,0|1,0,0]=3 25 B10R1.13 CN(C)C1=CC=C(N)C=C1 c08318 [0,2,0,0,0,0|2,0,0]=4 26 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 c08153 [0,2,0,0,0,0|1,0,1]=4 27 B10R1.25 COC1=C(Br)C=C(C)C=C1 a03095 [0,2,0,0,0,0|2,0,0]=4 28 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 c07575 [0,2,0,0,0,0|1,0,0]=3 29 B10R1.176 COC1=CC=C(N)C(C)=C1 c07873 [0,2,0,0,0,0|2,0,0]=4 30 B10R1.10 CCNC1=CC=CC(C)=C1 c01117 [0,2,0,0,0,0|1,0,0]=3 31 B10R1.10 O\N=C\C1=CC(O)=CC=C1 c06021 [0,2,0,0,0,0|0,0,1]=3 32 B10R1.30 CCC1=NC(C)=CC=C1O e00654 [0,2,0,0,0,0|2,0,0]=4 33 B10R1.113 CC(N)C1=CC(O)=CC=C1 c07637 [0,2,0,0,0,0|1,0,0]=3 34 B10R1.113 CC1=CC=CC(C(=O)O)=N1 c08168 [0,2,0,0,0,0|1,0,1]=4 35 B10R1.113 NC(=O)C1=CC(N)=CC=C1 c06082 [0,2,0,0,0,0|0,0,2]=4 36 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 c04283 [0,2,0,0,0,0|0,0,1]=3 37 B10R1.15 CCC(N)C1=CC=CC=C1 c07353 [0,2,0,0,0,0|1,0,0]=3 38 B10R1.15 NNC(=O)C1=CC=CC=C1 e00706 [0,2,0,0,0,0|0,0,2]=4 39 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 a09436 [0,2,0,0,0,0|0,0,1]=3 40 B10R1.61 O=C(O)C1=C(O)C=CC=C1 e00882 [0,2,0,0,0,0|0,0,1]=3 41 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 m07340 [0,2,0,0,0,0|1,0,1]=4 42 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 c04965 [0,2,0,0,0,0|0,0,1]=3 43 B10R1.4 O\N=C\C1=CC=CC=C1O c04922 [0,2,0,0,0,0|0,0,1]=3 44 B10R1.18 CC(=O)NC1=CC=CC=C1 a03944 [0,2,0,0,0,0|0,0,2]=4 45 B10R1.18 O=C(O)CC1=CC=CC=C1 e01172 [0,2,0,0,0,0|0,0,0]=2 46 B10R1.20 N#CC1=CC=CC=C1CBr m09519 [0,2,0,0,0,0|1,0,0]=3 47 B6R1.2 CC1=NC=CN1 c08341 [1,0,0,0,1,0|2,0,0]=4