0 B11R1.172 O=C(O)CCCC1=CNC=C1 0382AQ [0,0,0,0,0,0|4,0,0]=4 1 B11R1.172 O=C(O)CSCC1=CC=CO1 2370AF [0,0,0,0,0,0|1,0,0]=1 2 B10R1.21 CNCCCC1=CC=CO1 5597AD [1,0,0,0,0,0|2,0,0]=3 3 B12R1.54 O=C(O)CCC(=O)C1=CC=CO1 8241AC [0,1,0,0,0,0|2,0,1]=4 4 B12R1.477 NCC(O)COCC1=CC=CO1 5185AE [0,1,0,0,0,0|0,1,2]=4 5 B12R1.477 O=C(CCl)NCCC1=CC=CS1 3929AD [0,1,0,0,0,0|2,1,0]=4 6 B10R0.3 CCOC(=O)CSCC(C)=O 7389AE [0,0,1,0,0,0|1,0,2]=4 7 B12R2.114 O=C1CCCC2=C(C=CS2)N1 Z4781 [0,0,0,1,0,0|2,1,0]=4 8 B12R2.1354 O=C(O)C1CC1C2=CC=CS2 1904AJ [0,0,0,1,0,0|2,1,0]=4 9 B10R1.66 CC(=O)CCN1C=CC=N1 2604AF [0,0,0,0,1,0|2,0,0]=3 10 B10R1.66 CC(N)CCC1=CC=CO1 9476AE [0,0,0,0,1,0|1,0,1]=3 11 B10R1.66 NC(=O)NCC1=CC=CO1 8875AB [0,0,0,0,1,0|2,0,0]=3 12 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [0,0,0,0,1,0|2,0,0]=3 13 B10R1.66 O=C(O)CCC1=CC=NO1 6864AC [0,0,0,0,1,0|2,0,0]=3 14 B10R1.66 O=C(O)CCC1=CNC=N1 Y6981 [0,0,0,0,1,0|3,0,0]=4 15 B12R1.252 O=C(O)CCCC1=CC=CC=N1 0690AA [0,0,0,0,0,1|3,0,0]=4 16 B12R1.252 O=C(O)CCCC1=CC=NC=C1 8657AE [0,0,0,0,0,1|3,0,0]=4 17 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z2473 [0,0,0,0,0,1|3,0,0]=4 18 B12R1.255 CN(C)CCNCC1=CC=CO1 6949AE [0,0,0,0,0,1|3,0,0]=4 19 B12R1.255 NC(=O)CCNCC1=CC=CO1 0752AF [0,0,0,0,0,1|2,0,0]=3 20 B12R1.255 NC(=O)CCNCC1=CC=CS1 7885AC [0,0,0,0,0,1|2,1,0]=4 21 B9R1.12 CCCCC1=CC=CO1 5552AL [2,0,0,0,0,0|0,0,1]=3 22 B9R1.12 CCNCC1=CC=CO1 7158AA [2,0,0,0,0,0|1,0,0]=3 23 B9R1.12 NCCCC1=CC=CO1 3731AE [2,0,0,0,0,0|1,0,1]=4 24 B11R1.4 CC#CCNCC1=CC=CO1 0281AD [1,1,0,0,0,0|1,0,1]=4 25 B11R1.4 CCCCOCC1=CC=CO1 Y1589 [1,1,0,0,0,0|0,1,1]=4 26 B11R1.4 NCCCNCC1=CC=CO1 7438AD [1,1,0,0,0,0|1,0,1]=4 27 B11R1.25 CNC(C)CCC1=CC=CO1 5055AD [1,1,0,0,0,0|2,0,0]=4 28 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O G556 [0,1,0,0,1,0|1,0,0]=3 29 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 9960AE [0,1,0,0,1,0|2,0,0]=4 30 B11R1.75 O=C(O)CCC1=CC(O)=NO1 9328AE [0,1,0,0,1,0|2,0,0]=4 31 B11R1.77 NC(CC(=O)O)C1=CC=CO1 1415AC [0,1,0,0,1,0|1,0,0]=3 32 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 5899AA [0,1,0,0,1,0|1,1,0]=4 33 B13R1.149 O=C(O)CSCC1=CC=CC(Cl)=C1 1055AE [0,1,0,0,0,1|2,0,0]=4 34 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 4595AF [0,1,0,0,0,1|1,1,0]=4 35 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Y8576 [0,1,0,0,0,1|2,0,0]=4 36 B13R1.513 O=C(O)CSCC1=CC=C(Cl)C=C1 2788AF [0,1,0,0,0,1|2,0,0]=4 37 B13R1.513 O=C(O)CSCC1=CC=C(F)C=C1 7427AE [0,1,0,0,0,1|2,0,0]=4 38 B13R1.536 CNC(=O)CCNCC1=CC=CO1 7920AC [0,1,0,0,0,1|1,0,0]=3 39 B13R1.536 COC(=O)CCNCC1=CC=CO1 2770AE [0,1,0,0,0,1|1,0,0]=3 40 B13R1.536 COC(=O)CCNCC1=CC=CS1 4436AD [0,1,0,0,0,1|1,1,0]=4 41 B13R1.536 COC(=O)CCSCC1=CC=CO1 U007 [0,1,0,0,0,1|0,0,0]=2 42 B11R1.86 CC(=O)CC1=CC=CC=C1O 5670AA [0,0,1,1,0,0|1,0,1]=4 43 B11R2.2 C1=COC(C2NCCS2)=C1 4793AE [1,0,0,1,0,0|1,0,1]=4 44 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 2369AL [0,0,0,1,0,1|2,0,0]=4 45 B9R1.13 CC(=O)CC1=CC=CS1 4644AD [0,0,0,0,2,0|0,1,0]=3 46 B9R1.13 CC(=O)NC1=CC=CS1 D141 [0,0,0,0,2,0|1,1,0]=4 47 B9R1.13 CC(N)CC1=CC=CO1 8493AB [0,0,0,0,2,0|1,0,1]=4 48 B9R1.13 CC(O)CC1=CC=CO1 6519AJ [0,0,0,0,2,0|0,0,2]=4 49 B9R1.13 O=C(O)CC1=CC=CN1 2447AC [0,0,0,0,2,0|2,0,0]=4