0 B10R1.66 NC(=S)NCC1=CC=CO1 8H67-1-05 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.66 O=C(O)\C=C\C1=CC=CO1 2H21-1-Z9 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.66 O=C(O)\C=C\C1=CC=CS1 6H21-1-Y4 [0,0,0,0,0,0|2,1,1]=4 3 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 4H54-1-T3 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.12 CCCCC1=CC=CO1 2H10-1-X2 [1,0,0,0,0,0|1,0,1]=3 5 B9R1.12 S=C=NCC1=CC=CO1 8H68-1-01 [1,0,0,0,0,0|1,1,1]=4 6 B11R1.25 O=C(CCl)NCC1=CC=CO1 4H48-5-W2 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O 4H57-1-49 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.77 NC(CC(=O)O)C1=CC=CS1 8H66-1-5J [0,1,0,0,0,0|2,1,0]=4 9 B9R1.13 CC(=O)NC1=CC=NN1 4H48-1-6N [0,0,0,0,1,0|3,0,0]=4 10 B9R1.13 CC(=O)NC1=CSC=C1 8H48-1-0G [0,0,0,0,1,0|3,0,0]=4 11 B9R1.13 CC(=O)NC1=NC=CS1 8H48-1-05 [0,0,0,0,1,0|2,1,0]=4 12 B9R1.13 O=C(Cl)CC1=CC=CS1 6H16-5-X2 [0,0,0,0,1,0|1,1,0]=3 13 B9R1.13 O=C(O)CC1=CC=CS1 6H21-1-X5 [0,0,0,0,1,0|1,1,0]=3 14 B9R1.13 O=C(O)CC1=CNC=N1 4H58-5-7S [0,0,0,0,1,0|3,0,0]=4 15 B9R1.13 O=C(O)CC1=CSC=C1 6H21-1-Y1 [0,0,0,0,1,0|3,0,0]=4 16 B11R1.91 CC(=O)COC1=CC=CC=C1 2617-1-0W [0,0,0,0,0,1|3,0,0]=4 17 B11R1.91 NC(=O)OCC1=CC=CC=C1 4756-1-47 [0,0,0,0,0,1|2,1,0]=4 18 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 2616-5-13 [0,0,0,0,0,1|3,0,0]=4 19 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 2716-5-X4 [0,0,0,0,0,1|2,1,0]=4 20 B11R1.91 O=C(O)CCC1=CC=CC=C1 2721-1-01 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.91 O=C(O)CCC1=CC=CN=C1 4H21-1-XY [0,0,0,0,0,1|3,0,0]=4 22 B11R1.91 O=C(O)CCC1=CC=NC=C1 P612-A-35 [0,0,0,0,0,1|3,0,0]=4 23 B8R1.8 CNCC1=CC=CO1 4H56-1-395 [2,0,0,0,0,0|1,0,0]=3 24 B8R1.8 CSCC1=CC=CO1 6H66-1-0X [2,0,0,0,0,0|0,0,0]=2 25 B10R1.54 CC1=NOC(CC(=O)O)=C1 4H21-1-BY [0,1,0,0,1,0|2,0,0]=4 26 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 2620-1-X5 [0,1,0,0,0,1|2,0,0]=4 27 B12R1.27 COC(=O)CCC1=CC=CC=C1 2723-1-38 [0,1,0,0,0,1|2,0,0]=4 28 B12R1.27 NCC(=O)OCC1=CC=CC=C1 4657-5-0Q [0,1,0,0,0,1|1,1,0]=4 29 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 4748-5-X3 [0,1,0,0,0,1|2,0,0]=4 30 B12R1.870 CC(=O)OCC1=C(Br)C(C)=NO1 4H23-9-0Z [0,2,0,0,0,0|1,1,0]=4 31 B10R1.61 CC(=O)C1=CC=CC=C1O 2620-1-X2 [0,0,1,1,0,0|1,0,1]=4 32 B10R1.113 CC(=O)C1=CC=CC(O)=C1 2629-1-03 [0,0,1,1,0,0|1,0,1]=4 33 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 2717-1-Z2 [0,0,0,1,0,1|2,0,0]=4 34 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 2617-1-2B [0,0,0,1,0,1|2,0,0]=4 35 B12R2.6 O=C1CSC(C2=CC=CS2)C1 6H66-1-Y8 [0,0,0,1,0,1|0,1,0]=3 36 B8R1.7 CC(=O)C1=CC=CN1 4H17-1-Z4 [0,0,0,0,2,0|1,0,0]=3 37 B8R1.7 CC(=O)C1=CC=CO1 2H17-1-X1 [0,0,0,0,2,0|0,0,0]=2 38 B8R1.7 CC(=O)C1=CC=CS1 6H66-1-X9 [0,0,0,0,2,0|0,1,0]=3 39 B8R1.7 CC(=O)C1=CC=NN1 4H17-5-X2 [0,0,0,0,2,0|2,0,0]=4 40 B8R1.7 CC(=O)C1=CNC=C1 4H17-1-65 [0,0,0,0,2,0|2,0,0]=4 41 B8R1.7 CC(=O)C1=CSC=C1 6H17-1-X0 [0,0,0,0,2,0|2,0,0]=4 42 B8R1.7 CC(C)=C1C=CC=C1 1400-1-13 [0,0,0,0,2,0|2,0,0]=4 43 B8R1.7 NC(=O)C1=CC=CN1 4H48-1-5L [0,0,0,0,2,0|2,0,0]=4 44 B8R1.7 NC(=O)C1=CC=CS1 8H48-1-00 [0,0,0,0,2,0|1,1,0]=4 45 B8R1.7 O=C(Cl)C1=CC=CO1 2H16-5-X2 [0,0,0,0,2,0|1,0,0]=3 46 B8R1.7 O=C(Cl)C1=CC=CS1 6H16-5-X0 [0,0,0,0,2,0|1,1,0]=4 47 B8R1.7 O=C(Cl)C1=CC=NO1 4H16-5-W6 [0,0,0,0,2,0|2,0,0]=4 48 B8R1.7 O=C(Cl)C1=CC=NO1 4H16-5-W6T [0,0,0,0,2,0|2,0,0]=4 49 B8R1.7 O=C(O)C1=CC=CN1 4H56-1-6E [0,0,0,0,2,0|2,0,0]=4 50 B8R1.7 O=C(O)C1=CC=CO1 2H21-1-Y1 [0,0,0,0,2,0|1,0,0]=3 51 B8R1.7 O=C(O)C1=CC=CS1 6H21-1-02 [0,0,0,0,2,0|1,1,0]=4 52 B8R1.7 O=C(O)C1=CC=NO1 4H21-1-A7 [0,0,0,0,2,0|2,0,0]=4 53 B8R1.7 O=C(O)C1=CN=CO1 4H21-1-XG [0,0,0,0,2,0|2,0,0]=4 54 B8R1.7 O=C([O-])C1=NC=CO1 4H58-1-110 [0,0,0,0,2,0|2,0,0]=4