0 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [0,0,0,0,0,0|2,1,0]=3 2 B10R1.66 O=C(O)CCC1=CN=CN1 28308 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.66 O=C(O)CCC1=CN=CS1 97779 [0,0,0,0,0,0|3,1,0]=4 4 B10R1.66 O=C(O)CCC1=CNC=C1 65418 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.66 O=C(O)CCC1=NC=CN1 69195 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.66 O=C(O)CCC1=NC=CN1 69196 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 O=C(O)CCC1=NC=CS1 69864 [0,0,0,0,0,0|3,1,0]=4 8 B10R1.66 O=C(O)CCN1C=CC=N1 30854 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.12 CCNCC1=CC=CO1 C77903 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.25 COC(=O)CCC1=CC=CN1 RB3088 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.25 COC(=O)CCC1=CNC=N1 W12407 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O F52519 [0,1,0,0,0,0|2,1,0]=4 13 B11R1.75 CC1=CC=C(CCC(=O)O)O1 W18846 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.75 CC1=CC=C(CCC(=O)O)S1 71574 [0,1,0,0,0,0|2,1,0]=4 15 B11R1.75 CC1=CSC(CCC(=O)O)=C1 72711 [0,1,0,0,0,0|2,1,0]=4 16 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 Y11316 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 D81679 [0,1,0,0,0,0|2,1,0]=4 18 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 N12535 [0,1,0,0,0,0|2,1,0]=4 19 B11R2.36 O=C1CCC2=C(C1)SC=N2 N13364 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [0,0,0,0,1,0|0,1,0]=2 21 B9R1.13 CN(C)CC1=CC=CN1 AC2500 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.13 O=C(O)CC1=CC=CN1 29609 [0,0,0,0,1,0|2,0,0]=3 23 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [0,0,0,0,1,0|1,0,0]=2 24 B9R1.13 O=C(O)CC1=CC=NO1 AC1452 [0,0,0,0,1,0|2,0,0]=3 25 B9R1.13 O=C(O)CC1=CCC=C1 78226 [0,0,0,0,1,0|2,0,1]=4 26 B9R1.13 O=C(O)CC1=CN=CS1 P10574 [0,0,0,0,1,0|2,1,0]=4 27 B9R1.13 O=C(O)CC1=CNC=C1 65416 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.13 O=C(O)CC1=CNC=N1 C16158 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.13 O=C(O)CC1=NC=CN1 F17266 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.13 O=C(O)CC1=NC=CS1 26228 [0,0,0,0,1,0|2,1,0]=4 31 B9R1.13 O=C(O)CC1=NNC=C1 71426 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.13 O=C(O)CC1=NOC=C1 Y10092 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,0,0,0,0,1|2,0,1]=4 34 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,0,0,0,0,1|3,0,0]=4 37 B8R1.8 CNCC1=CC=NO1 27030 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.8 COCC1=CN=CN1 AC8003 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.8 OCCC1=CC=CO1 W10532 [2,0,0,0,0,0|0,0,2]=4 40 B10R1.23 O=C(O)C(=O)C1=CC=CO1 D77791 [0,1,0,0,1,0|1,0,1]=4 41 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 A10073 [0,1,0,0,1,0|1,0,1]=4 42 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 P15221 [0,1,0,0,1,0|1,0,1]=4 43 B10R1.54 CC1=CC=C(CN(C)C)O1 T71781 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.54 O=C(O)CC1=CC=C(Br)S1 79437 [0,1,0,0,1,0|1,1,0]=4 45 B10R1.281 C[Si](C)(C)OC1=CC=CO1 T72713 [0,1,0,0,1,0|1,1,0]=4 46 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [0,1,0,0,0,1|1,0,1]=4 49 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [0,1,0,0,0,1|1,1,0]=4 56 B12R1.15 COC(=O)C[C@H](N)C1=CC=CS1 F20040 [0,2,0,0,0,0|1,1,0]=4 57 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 D80703 [0,2,0,0,0,0|1,0,0]=3 58 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,0,1,1,0,0|2,0,0]=4 59 B10R2.7 C1=CC2=C(CCNC2)O1 31880 [1,0,0,1,0,0|2,0,0]=4 60 B10R2.71 O=C1CC2C=CC(C1)O2 P12615 [0,0,0,1,1,0|0,0,2]=4 61 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,0,0,1,0,1|2,0,0]=4 62 B12R2.24 O=C1CCC2=C(C=NC=N2)C1 F52711 [0,0,0,1,0,1|2,0,0]=4 63 B8R1.7 CC(=O)C1=CC=NO1 I11392 [0,0,0,0,2,0|1,0,0]=3 64 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [0,0,0,0,2,0|1,0,0]=3 65 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,0,0,0,2,0|1,1,0]=4 66 B8R1.7 CC(=O)C1=CN=CS1 66660 [0,0,0,0,2,0|1,1,0]=4 67 B8R1.7 CC(=O)C1=NC=CO1 33464 [0,0,0,0,2,0|1,0,0]=3 68 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,0,0,0,2,0|2,0,0]=4 69 B8R1.7 CC(C)C1=CC=CO1 81450 [0,0,0,0,2,0|1,0,1]=4 70 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,0,0,0,2,0|1,0,1]=4 71 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,0,0,0,2,0|1,0,1]=4 72 B8R1.7 NC(=O)C1=CC=NO1 F30843 [0,0,0,0,2,0|2,0,0]=4 73 B8R1.7 NC(=O)C1=CN=CO1 78451 [0,0,0,0,2,0|2,0,0]=4