0 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 N=C(NO)C1=CC=CC=C1 BB20-3129 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 N\N=C(/N)C1=CC=CC=C1 BB10-1016 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 [C-]#[N+]C(C)C1=CC=NC=C1 BB56-1680 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.8 N#CCC1=NC=CC=C1 BB53-1348 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.8 O=C=NC1=CC=NC=C1 BB01-6559 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 BB56-1200 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.16 CC(N=C=O)C1=CC=CC=C1 BB12-1551 [0,1,0,0,0,0|0,0,1]=2 13 B11R1.16 CN(CCN)C1=CC=CC=C1 BB56-2834 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.16 CNCC(O)C1=CC=CC=C1 BB12-2195 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.16 N#C\C=C(\N)C1=CC=CC=C1 BB20-4559 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.16 OC(CCCl)C1=CC=CC=C1 BB12-1401 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.22 CC1=CC=C(C(N)CO)C=C1 BB56-2094 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.22 CNC(C)C1=CC=C(F)C=C1 BB12-1331 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 BB56-2167 [0,1,0,0,0,0|1,0,2]=4 20 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 BB56-2226 [0,1,0,0,0,0|1,0,2]=4 21 B11R1.22 NC(CO)C1=CC=C(F)C=C1 BB12-1444 [0,1,0,0,0,0|1,0,2]=4 22 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Cl)C=C1 BB56-1668 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.23 [C-]#[N+]C(C)C1=CC(Cl)=CC=C1 BB56-1669 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.222 NC(CO)C1=CC=CC=C1F BB56-2224 [0,1,0,0,0,0|1,0,2]=4 26 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [0,0,0,0,0,1|2,0,1]=4 27 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [0,0,0,0,0,1|1,0,2]=4 28 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 BB17-2230 [0,0,0,0,0,1|1,0,1]=3 29 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [1,1,0,0,0,0|0,0,1]=3 30 B10R1.13 CC(O)C1=CC=C(N)C=C1 BB12-2291 [1,1,0,0,0,0|0,0,1]=3 31 B10R1.61 CN(C)C1=C(N)C=CC=C1 BB12-1582 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.113 CC(N)C1=CC(Br)=CC=C1 BB53-1527 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.1 N#CCC1=CC=C(N)C=C1 BB12-4851 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.1 [C-]#[N+]CC1=CC=C(Cl)C=C1 BB56-1770 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.4 CC1=CC=CC=C1CCN BB12-2271 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.10 CNCC1=CC(O)=CC=C1 BB12-1357 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.23 NC(C(=O)O)C1=CC=CS1 BB56-0352 [0,1,0,0,1,0|2,0,0]=4 42 B12R1.9 CC(N)(CO)C1=CC=C(F)C=C1 BB56-2780 [0,2,0,0,0,0|0,0,2]=4 43 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [0,2,0,0,0,0|1,0,1]=4 44 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 BB12-1278 [0,2,0,0,0,0|1,0,0]=3 45 B12R1.5 CCC(C)C1=CC=C(NN)C=C1 BB56-0337 [0,2,0,0,0,0|1,0,1]=4 46 B12R1.20 CC(=O)N(C)C1=CC=C(Br)C=C1 BB12-4088 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 BB56-0268 [0,2,0,0,0,0|1,0,0]=3 48 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 BB56-0239 [0,2,0,0,0,0|1,0,0]=3 49 B12R1.124 CC1=CC=CC=C1C(N)C(=O)O BB56-0340 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 BB56-0238 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.124 NC(C(=O)O)C1=CC=CC=C1F BB56-0262 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.77 [C-]#[N+]C1=C(C(C)CC)C=CC=C1 BB56-1667 [0,2,0,0,0,0|1,0,1]=4 53 B10R1.27 C\C(C=O)=C/C1=CC=CO1 BB17-1881 [0,0,1,1,0,0|1,0,1]=4 54 B12R2.18 CC1CC2=CC=CC=C2C1=O BB12-2283 [0,0,0,1,0,1|0,0,0]=2 55 B12R2.32 CNC1CC2=CC=CC=C2C1 BB53-1624 [0,0,0,1,0,1|2,0,0]=4 56 B12R2.48 OCC1(C2=CC=CC=C2)CC1 BB90-0130 [0,1,0,1,0,0|0,0,2]=4 57 B12R2.2 C1=CC=C(C2CCCN2)C=C1 BB01-4666 [0,1,0,1,0,0|1,0,1]=4 58 B12R2.196 CN1C=CC2=C(N)C=CC=C21 BB26-0150 [0,1,0,1,0,0|2,0,0]=4