0 B8R0.2 CCC(C)C(C(=O)O)Br CB10117 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.2 CCC(CC(=O)O)N AB01525 [1,0,0,0,0,0|1,0,1]=3 2 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.5 CCOC(=O)C(=O)N AB00911 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.5 CCOC(=O)C(=S)N PB24589 [1,0,0,0,0,0|2,1,0]=4 7 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.10 CCC(C(=O)OC)N AB16757 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.37 CC1C(=C(C(=O)O1)O)O CB11384 [0,0,0,1,0,0|1,0,2]=4 13 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O PB33863 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O AB03887 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O MB07569 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O AB22519 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O AB76257 [0,0,0,1,0,0|1,0,1]=3 18 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AB03831 [0,0,0,1,0,0|1,0,1]=3 19 B9R1.110 C1C(CO1)C(C(=O)O)N PB11723 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.110 C1C(CO1)[C@@H](C(=O)O)N PB38610 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.110 C1C(CO1)[C@H](C(=O)O)N PB36253 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.110 C1CC(C1)C(C(=O)O)N PB17607 [0,0,0,1,0,0|1,0,1]=3 23 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N PB16030 [0,0,0,1,0,0|1,0,1]=3 24 B9R1.110 C1CC(C1)[C@H](C(=O)O)N PB27915 [0,0,0,1,0,0|1,0,1]=3 25 B6R0.1 CCNC(=O)C=C CB10170 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.3 B(C(C)CC)(O)O AB25482 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.3 CC(C)C(=O)NN PB30560 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.3 CC(CN)C(=O)O AB00933 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.3 CCC(C(=O)O)N AB00928 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.3 CCN(C)C(=O)Cl MB05193 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.3 C[C@H](CN)C(=O)O AB08204 [2,0,0,0,0,0|1,0,0]=3 34 B8R0.5 CCCC(CC(=O)O)N AB01975 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.12 CCCC(C)(C(=O)O)N AB12001 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.12 CCC[C@@](C)(C(=O)O)N AB09816 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.12 CCC[C@](C)(C(=O)O)N AB21888 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.18 CC(C)C(CN)C(=O)O AB35707 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.18 CC(C)[C@@H](CN)C(=O)O AB35710 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.18 CC(C)[C@H](CN)C(=O)O AB35713 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.27 CC(C)(C)C(C(=O)O)N AB02673 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N AB02564 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.27 CC(C)(C)[C@H](C(=O)O)N AB00342 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.37 CC(C)[C@@](C)(C(=O)O)N AB08744 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.37 CC(C)[C@](C)(C(=O)O)N AB08748 [1,1,0,0,0,0|1,0,1]=4 46 B10R0.144 CCC(CC)C(CC(=O)O)N AB10352 [0,1,0,0,0,1|1,0,1]=4 47 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.1 C1[C@H](COC1=O)CF MB19704 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.34 C1C(CN1)CC(=O)O PB17729 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.34 C1C(CO1)CC(=O)O PB15407 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.7 C1CCC(C1)C(=O)O AB00138 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.7 C1COC=C1C(=O)O PB26262 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.23 CC1CC(C1)C(=O)O PB21154 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O PB24101 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O PB24098 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.54 C1CC1C(=O)C(=O)O AB65215 [1,0,0,1,0,0|0,0,0]=2 58 B8R1.54 C1CC1C(C(=O)O)N CB11349 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.78 C1CC(C1)(C(=O)O)N PB32216 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.78 CC1(CCC1)C(=O)O PB11149 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.38 C1CC(C1)C(=O)NN PB29240 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.50 C1CN(C(=O)C1N)O AB02803 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.77 CC1(CC1C(=O)O)C AB21127 [1,0,0,1,0,0|1,0,1]=4 64 B10R1.25 CCC1CNC(=O)CC1=O PB13231 [0,0,0,1,0,1|1,0,0]=3 65 B10R1.266 C1CC(C1)C(CC(=O)O)N AB24717 [0,0,0,1,0,1|1,0,1]=4 66 B10R1.266 C1CC(C1)[C@@H](CC(=O)O)N AB36099 [0,0,0,1,0,1|1,0,1]=4 67 B10R1.266 C1CC(C1)[C@H](CC(=O)O)N AB36096 [0,0,0,1,0,1|1,0,1]=4 68 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AB16257 [0,0,0,1,0,1|1,0,1]=4 69 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O AB51287 [0,0,0,1,0,1|1,0,1]=4 70 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N AB15910 [0,1,0,1,0,0|1,0,1]=4 71 B10R1.23 C1CCC(C1)[C@H](C(=O)O)N AB15907 [0,1,0,1,0,0|1,0,1]=4 72 B10R1.23 C1COCC1C(C(=O)O)N AB10007 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.59 CC1=C(N=C(C1)C)C(=O)O AB12161 [0,1,0,1,0,0|1,0,1]=4 74 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N AB22660 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N AB49830 [0,1,0,1,0,0|1,0,1]=4 76 B10R2.355 C1[C@H]2[C@@H]1[C@H](NC2)C(=O)O PB24875 [0,0,0,2,0,0|1,0,1]=4