0 B11R1.280 COC1=C(O)C=CC(CO)=C1 BB17-0749 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.30 CC1=CC=C(C)C(NN)=C1 BB56-2533 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.30 CC1=CC=C(F)C(NN)=C1 BB56-2743 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.30 CC1=CC=C(O)C(CO)=N1 BB12-2201 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.30 CCC1=C(N)C=CC(I)=C1 BB17-0313 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.30 CNC1=C(C)C=CC(Cl)=C1 BB01-7292 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.30 CNC1=C(Cl)C=CC(F)=C1 BB01-7287 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 BB17-1585 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.30 O=CC1=CC(I)=CC=C1O BB12-2260 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.176 CC1=CC(NN)=CC=C1Br BB56-0331 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.176 CC1=CC=C(NN)C=C1C BB56-2531 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.176 O=C1C=C(CCl)OC=C1O BB26-0808 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.176 O=CC1=CC(I)=C(O)C=C1 BB17-2246 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.176 [C-]#[N+]C1=CC=C(C)C(C)=C1 BB56-1194 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 BB12-4663 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.78 [C-]#[N+]C1=C(OC)C=C(OC)C=C1 BB56-1820 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.286 CCOC1=CC(C=O)=C(O)C=C1 BB17-1060 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.286 CCOC1=CC(CO)=C(O)C=C1 BB17-1059 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.449 COC1=C(O)C=C(Cl)C(C=O)=C1 BB17-1452 [0,1,0,0,0,0|0,0,2]=3 19 B12R2.44 ClCC1=CC2=C(C=C1)OCO2 BB01-4892 [0,0,0,1,0,0|1,0,0]=2 20 B9R1.2 CC1=CC(NN)=CC=C1 BB56-2532 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.2 CNC1=CC(F)=CC=C1 BB01-7291 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.2 N#CC1=CC(O)=CC=C1 BB20-4617 [2,0,0,0,0,0|1,0,1]=4 23 B9R1.2 NCC1=CC=CC(Cl)=C1 BB01-4636 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.15 CNC1=C(C)C=CC=C1 BB01-7286 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.15 CNC1=CC=CC=C1N BB12-2750 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.15 COC1=CC=CN=C1C BB17-0165 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.69 CC1=CC(=O)C(O)=CN1 BB26-0805 [2,0,0,0,0,0|1,0,1]=4 28 B9R1.69 CC1=CC(=O)C(O)=CO1 BB26-0385 [2,0,0,0,0,0|1,0,1]=4 29 B9R1.69 CC1=CC=C(N)C(N)=C1 BB56-0557 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.69 CC1=CC=C(N)C(S)=C1 BB17-0861 [2,0,0,0,0,0|1,1,0]=4 31 B9R1.69 NC1=CC=C(F)C=C1O BB12-2894 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.69 OC1=CC=C(F)C(Cl)=C1 BB12-4695 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.1 NCC1=CC=C(O)C=C1 BB12-1603 [2,0,0,0,0,0|1,0,0]=3 34 B11R1.8 CC1=CC(C=O)=C(O)C(Br)=C1 BB17-1086 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.8 COC1=C(O)C(Br)=CC(Br)=C1 BB17-1853 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.37 COC1=C(OC)C=C(I)C=C1 BB12-5007 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 BB53-1900 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.167 CC(O)C1=C(O)C=CC(Br)=C1 BB53-1844 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.182 CCNC1=CC(C)=CC=C1C BB01-7293 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.277 COC1=CC(Br)=C(N)C=C1F BB01-7069 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.189 COC1=CC=CC(CCN)=C1 BB12-0768 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.267 CCC1=CC=CC(CC)=C1O BB12-1897 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.14 CCC1=CC(N)=C(O)C(Br)=C1 BB17-0378 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 BB53-1533 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.279 COC1=CNC(CO)=CC1=O BB26-0375 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.279 COC1=COC(CO)=CC1=O BB26-0372 [1,1,0,0,0,0|1,0,1]=4 47 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 BB12-2718 [0,2,0,0,0,0|1,0,0]=3 48 B13R1.1249 CCOC1=C(OC)C=C(CN)C=C1 BB01-6610 [0,2,0,0,0,0|1,0,0]=3 49 B13R1.2200 COC1=C(OC)C=C(C=O)C(Cl)=C1 BB17-2298 [0,2,0,0,0,0|0,0,2]=4 50 B13R1.2430 COC1=CC=C(CO)C=C1[N+](=O)[O-] BB12-2232 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.44 COC(=O)C1=CC=C(CCl)O1 BB12-3464 [0,0,1,1,0,0|2,0,0]=4 52 B13R2.57 NNC1=CC=C2OCCOC2=C1 BB56-0053 [0,1,0,1,0,0|2,0,0]=4 53 B13R2.449 O=C=NC1=CC=C2OCOC2=C1 BB12-2205 [0,1,0,1,0,0|0,0,2]=4