0 B10R1.66 O=C(O)CCC1=NNC=C1 AT25833 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.66 O=C(O)CCC1=NOC=C1 E72890 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.66 O=C([O-])COC1=NOC=C1 AT21059 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.25 COC(=O)CCC1=NNC=C1 AT26456 [0,1,0,0,0,0|2,0,0]=3 4 B11R1.35 N[C@@H](CC1=CC=CN1)C(=O)O 67419 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.35 N[C@@H](CN1C=CC=C1)C(=O)O E73051 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.77 O=C(O)CC(=O)C1=CC=CO1 D74712 [0,1,0,0,0,0|1,0,1]=3 7 B11R2.36 O=C1CCC2=C(C=CN2)C1 D96427 [0,0,0,1,0,0|1,0,0]=2 8 B11R2.36 O=C1CCC2=NC=CN2C1 AT24634 [0,0,0,1,0,0|2,0,0]=3 9 B11R1.91 C[C@H](O)CCC1=CC=NC=C1 AT24513 [0,0,0,0,0,1|1,0,2]=4 10 B11R1.91 O=C(O)CCC1=NN=CC=C1 P18641 [0,0,0,0,0,1|2,0,0]=3 11 B8R1.8 NCCC1=CC=NO1 E73131 [2,0,0,0,0,0|2,0,0]=4 12 B8R1.8 NCCC1=CN=CO1 AT18734 [2,0,0,0,0,0|2,0,0]=4 13 B10R1.11 N[C@@H](CCO)C1=CC=CO1 D96373 [1,1,0,0,0,0|0,0,2]=4 14 B10R1.23 O=C(O)[C@H](F)C1=CC=CS1 D76404 [0,1,0,0,1,0|1,1,0]=4 15 B10R1.54 CC1=CN=C(CC(=O)[O-])O1 AT23460 [0,1,0,0,1,0|2,0,0]=4 16 B10R1.54 CC1=CN=C(CC(=O)[O-])O1 AT23461 [0,1,0,0,1,0|2,0,0]=4 17 B10R1.64 CC1=C(CC(=O)O)OC=N1 AC1424 [0,1,0,0,1,0|2,0,0]=4 18 B10R1.64 O=C(O)CC1=C(Cl)C=CO1 AC1393 [0,1,0,0,1,0|1,0,0]=3 19 B12R1.43 N[13C@@H](CC1=CC=CC=C1)C(=O)O D98682 [0,1,0,0,0,1|2,0,0]=4 20 B12R1.43 N[C@@H](CC1=NN=CC=C1)C(=O)O Y14572 [0,1,0,0,0,1|2,0,0]=4 21 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 75062 [0,1,0,0,0,1|2,0,0]=4 22 B12R1.125 O=C(O)CCC1=CC=CN=C1Br F30825 [0,1,0,0,0,1|2,0,0]=4 23 B12R1.226 CC(=O)NCC1=NC(N)=CC=C1 D79722 [0,1,0,0,0,1|2,0,0]=4 24 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 AT21880 [0,2,0,0,0,0|0,0,0]=2 25 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 AT21881 [0,2,0,0,0,0|0,0,0]=2 26 B12R1.104 CC1=CC=C(C[C@H](N)C(=O)O)O1 D74836 [0,2,0,0,0,0|1,0,0]=3 27 B10R2.32 O=C1CCC2=C1N=CO2 AT24635 [1,0,0,1,0,0|1,0,0]=3 28 B10R2.32 O=C1CCC2=C1N=CS2 AT24601 [1,0,0,1,0,0|1,1,0]=4 29 B10R2.32 O=C1CCC2=C1OC=C2 D74775 [1,0,0,1,0,0|2,0,0]=4 30 B10R2.32 O=C1CCC2=C1OC=N2 AT24607 [1,0,0,1,0,0|2,0,0]=4 31 B10R2.32 O=C1CCC2=C1SC=N2 AT24604 [1,0,0,1,0,0|2,0,0]=4 32 B10R2.32 O=C1CCN2N=CC=C12 D73593 [1,0,0,1,0,0|2,0,0]=4 33 B10R2.2 O=C1CC2=CC=NN2C1 D73592 [0,0,0,1,1,0|2,0,0]=4 34 B10R2.2 O=C1CC2=NC=CN2C1 AT24595 [0,0,0,1,1,0|2,0,0]=4 35 B12R2.22 O=C1CC(C2=CC=NC=C2)C1 F53800 [0,0,0,1,0,1|1,0,0]=3 36 B12R2.24 O=C1CC2=C(C=CN=C2)CN1 86460 [0,0,0,1,0,1|2,0,0]=4 37 B12R2.24 O=C1CCC2=C(C=NC=C2)N1 AC7087 [0,0,0,1,0,1|2,0,0]=4 38 B12R2.3190 CC(=O)[C@@H]1CC2=C1C=CC=C2 E72984 [0,0,0,1,0,1|1,0,0]=3 39 B12R2.3190 O=C(Cl)[C@@H]1CC2=C1C=CC=C2 E73149 [0,0,0,1,0,1|2,0,0]=4 40 B12R2.533 CC1(C)CN[C@@H]1C2=CC=CO2 E72918 [0,0,0,1,0,1|1,0,1]=4 41 B12R2.1354 O=C(O)[C@H]1C[C@@H]1C2=CC=CS2 AT22397 [0,0,0,1,0,1|1,1,0]=4 42 B12R2.1354 O=C(O)[C@H]1C[C@@H]1C2=CC=CS2 AT22520 [0,0,0,1,0,1|1,1,0]=4 43 B12R2.76 O=C1CC(N2C=C(Br)C=N2)C1 AT22847 [0,1,0,1,0,0|2,0,0]=4 44 B8R1.7 CC(=O)C1=NC=NO1 A10624 [0,0,0,0,2,0|2,0,0]=4 45 B8R1.7 CC(=O)C1=NSC=C1 AT21125 [0,0,0,0,2,0|2,0,0]=4