0 B9R0.39 CC(C)CC(CN)C(=O)O AB35728 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.39 CC(C)C[C@@H](CN)C(=O)O AB35730 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.39 CC(C)C[C@H](CN)C(=O)O AB35733 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.39 CCC(C(=O)O)NC(=O)C AB01272 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.23 CC(CC(=O)C)C(=O)O PB27433 [1,0,0,0,0,0|1,0,0]=2 5 B10R0.23 CC(=O)N[C@@H](CSC)C(=O)O AB31228 [0,1,0,0,0,0|0,0,0]=1 6 B10R1.113 C1C(NC(=O)CN1)C(=O)O AB61614 [0,0,0,1,0,0|1,0,0]=2 7 B10R1.113 C1CNC(=O)CC1C(=O)O PB11932 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.113 C1C[C@@H](NC(=O)C1)C(=O)O AB49077 [0,0,0,1,0,0|1,0,0]=2 9 B10R1.113 C1C[C@H](NC(=O)C1)C(=O)O AB16268 [0,0,0,1,0,0|1,0,0]=2 10 B10R1.113 C1[C@@H](NC(=O)CN1)C(=O)O AB61619 [0,0,0,1,0,0|1,0,0]=2 11 B10R1.113 C1[C@H](NC(=O)CN1)C(=O)O AB61618 [0,0,0,1,0,0|1,0,0]=2 12 B10R1.359 C1CS(=O)(=O)NC1C(=O)O PB30895 [0,0,0,1,0,0|3,0,0]=4 13 B8R0.18 CC(C)C(CN)C(=O)O AB35707 [0,0,0,0,1,0|2,0,1]=4 14 B8R0.18 CC(C)[C@@H](CN)C(=O)O AB35710 [0,0,0,0,1,0|2,0,1]=4 15 B8R0.18 CC(C)[C@H](CN)C(=O)O AB35713 [0,0,0,0,1,0|2,0,1]=4 16 B7R0.15 CCC(CN)C(=O)O AB62466 [2,0,0,0,0,0|1,0,1]=4 17 B7R0.6 CC(=O)CNC(=O)C AB02398 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.6 CC(=O)NCC(=O)O AB00351 [2,0,0,0,0,0|0,0,0]=2 19 B9R0.11 C[C@@](CC(=O)O)(C(=O)O)N AB04906 [1,1,0,0,0,0|2,0,0]=4 20 B9R0.11 C[C@](CC(=O)O)(C(=O)O)N AB03942 [1,1,0,0,0,0|2,0,0]=4 21 B9R0.42 CC(C(=O)O)NC(=O)OC AB63726 [1,1,0,0,0,0|0,0,0]=2 22 B9R0.42 CNC(=O)C[C@H](C(=O)O)N AB18413 [1,1,0,0,0,0|2,0,0]=4 23 B11R0.160 CCSC[C@@H](C(=O)O)NC(=O)C AB55312 [0,2,0,0,0,0|0,0,0]=2 24 B11R0.88 COC(=O)[C@@H](CO)NC(=O)CCl AB71977 [0,2,0,0,0,0|0,1,0]=3 25 B9R1.6 C1CC(CSC1)C(=O)O PB33209 [1,0,0,1,0,0|1,0,1]=4 26 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [1,0,0,1,0,0|1,0,1]=4 27 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [1,0,0,1,0,0|1,0,1]=4 28 B9R1.6 C1CNC(CN1)C(=O)O AB01992 [1,0,0,1,0,0|1,0,1]=4 29 B9R1.6 C1CN[C@@H](CN1)C(=O)O AB08722 [1,0,0,1,0,0|1,0,1]=4 30 B9R1.6 C1CN[C@@H](CN1)C(=O)O PB24733 [1,0,0,1,0,0|1,0,1]=4 31 B9R1.6 C1CN[C@H](CN1)C(=O)O PB21831 [1,0,0,1,0,0|1,0,1]=4 32 B9R1.6 C1COCC(N1)C(=O)O PB12912 [1,0,0,1,0,0|0,1,1]=4 33 B9R1.6 C1COC[C@@H](N1)C(=O)O PB23346 [1,0,0,1,0,0|0,1,1]=4 34 B9R1.6 C1COC[C@H](N1)C(=O)O PB30767 [1,0,0,1,0,0|0,1,1]=4 35 B9R1.6 C1CSC[C@@H](N1)C(=O)O AB19234 [1,0,0,1,0,0|0,0,1]=3 36 B9R1.6 C1CSC[C@H](N1)C(=O)O AB08732 [1,0,0,1,0,0|0,0,1]=3 37 B9R1.35 C1CC(=O)CC1C(=O)O PB17215 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.35 C1CC(=O)C[C@@H]1C(=O)O PB28806 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.35 C1CC(=O)C[C@H]1C(=O)O PB15404 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O AB76265 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O AB76261 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O PB33863 [1,0,0,1,0,0|0,1,1]=4 43 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O AB76257 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AB03831 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.96 C1CN([C@@H]1C(=O)O)N=O MB03151 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.2 CCC1COCC(=O)N1 AB56433 [1,0,0,1,0,0|1,0,1]=4 48 B9R1.152 CC1(CC(=C)C1)C(=O)O PB34988 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.152 CC1(CC(=O)C1)C(=O)O PB12182 [1,0,0,1,0,0|1,0,0]=3 50 B11R1.157 C1C(NC(=O)CN1)CC(=O)O AB61646 [0,0,0,1,0,1|1,0,0]=3 51 B11R1.157 C1[C@@H](NC(=O)CN1)CC(=O)O AB61653 [0,0,0,1,0,1|1,0,0]=3 52 B11R1.157 C1[C@H](NC(=O)CN1)CC(=O)O AB61649 [0,0,0,1,0,1|1,0,0]=3 53 B11R1.21 CN1CCC(CC1=O)C(=O)O PB34455 [0,1,0,1,0,0|2,0,0]=4 54 B11R1.167 CC(C)[C@@H]1C(=O)NCC(=O)N1 AB04812 [0,1,0,1,0,0|2,0,0]=4 55 B11R1.23 COC(=O)C1CCCC(=O)N1 AB63646 [0,1,0,1,0,0|1,0,0]=3 56 B11R2.208 C1CC12C(=O)NCC(=O)N2 AB72050 [0,0,0,2,0,0|2,0,0]=4