0 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [1,0,0,0,0,0|2,0,1]=4 1 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.5 CCOC(=O)C(=O)N AB00911 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.5 CCOC(=O)C(=S)N PB24589 [1,0,0,0,0,0|2,1,0]=4 4 B7R0.6 CC(=O)CNC(=O)C AB02398 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.6 CC(=O)\C=C\N(C)C AB03818 [1,0,0,0,0,0|1,0,1]=3 6 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N AB09832 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.11 CC(C)C[C@](C)(C(=O)O)N AB48913 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.39 CC(C)CC(CN)C(=O)O AB35728 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.39 CC(C)C[C@@H](CN)C(=O)O AB35730 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.39 CC(C)C[C@H](CN)C(=O)O AB35733 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N AB02684 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.57 CC(C)(C)C[C@H](C(=O)O)N AB01734 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.35 CC(=O)C1CCN(C1)C AB77113 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.35 CC(=O)N1CCC(C1)N PB28324 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.35 CC(=O)N1CC[C@H](C1)O PB14774 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O AB31640 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O AB42905 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.69 CC1CN(CCC1=O)C AB03409 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.69 CC1CNC(C(=O)N1)C AB71858 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.69 CN1CC(CCC1=O)N PB13136 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.69 C[C@@H]1CN[C@@H](C(=O)N1)C AB72308 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.69 C[C@@H]1CN[C@H](C(=O)N1)C AB72305 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.69 C[C@H]1CN[C@@H](C(=O)N1)C AB72311 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.69 C[C@H]1CN[C@H](C(=O)N1)C AB72303 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.112 C1CC1C[C@@H](C(=O)O)N AB16716 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.137 CC(C)OC(=O)C1CC1 AB21119 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.164 CC1(CC(=C1)C(=O)O)C PB18244 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.164 CC1(CC(C1)C(=O)O)C PB14266 [0,0,0,1,0,0|2,0,1]=4 29 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,0,0,0,1,0|2,0,1]=4 30 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,0,0,0,1,0|2,0,1]=4 31 B9R0.7 CC(C)CC[C@@H](C(=O)O)N AB15913 [0,0,0,0,0,1|2,0,1]=4 32 B9R0.7 CC(C)CC[C@H](C(=O)O)N AB29542 [0,0,0,0,0,1|2,0,1]=4 33 B6R0.1 CCNC(=O)C=C CB10170 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.2 CC(C)CC(=N)N AB60903 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.2 CC(C)CC(=S)N AB52630 [2,0,0,0,0,0|1,1,0]=4 36 B6R0.4 CC(=O)\C=C\OC AB00959 [2,0,0,0,0,0|1,0,1]=4 37 B8R1.4 C1CNC(=O)CC1N PB11631 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.4 CC1CC(=O)CCN1 PB18889 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.4 CN1CCCC(=O)C1 AB39316 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.18 CN1CC(CC1=O)N PB22380 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.40 COC(=O)CC1CC1 PB20704 [1,0,0,1,0,0|1,0,0]=3 46 B8R1.51 CC1(COC(=O)N1)C PB29297 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.83 COC(=O)[C@H]1C[C@@H]1N AB77059 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.5 C1CCC(=O)C(C1)F MB01688 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.54 C1CC1C(=O)C(=O)O AB65215 [1,0,0,1,0,0|1,0,0]=3 50 B8R1.3 C1CC(=O)CCC1N AB26267 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.3 C1CC(=O)NCC1N PB22229 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.3 CC1CNC(=O)CN1 AB37204 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.3 CC1CNC(=O)CO1 AB71787 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.3 CN1CCC(=CC1)I AB70135 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.77 CC1(CC1C(=O)O)C AB21127 [1,0,0,1,0,0|1,0,1]=4 58 B10R1.329 CC1(OC(=O)CC(=O)O1)C AB00787 [0,0,0,1,0,1|2,0,0]=4 59 B10R1.560 CC1(CC(=O)C(O1)(C)C)C AB00975 [0,1,0,1,0,0|0,0,2]=4 60 B10R1.413 CC1(CC(=C1)C(=O)OC)C PB19669 [0,1,0,1,0,0|1,0,0]=3 61 B10R1.413 CC1(CC(C1)C(=O)OC)C PB16824 [0,1,0,1,0,0|1,0,1]=4 62 B10R1.176 CN1CCC(CC1=O)CN PB16684 [0,1,0,1,0,0|2,0,0]=4 63 B10R1.176 CN1CCC(CC1=O)CO PB24273 [0,1,0,1,0,0|2,0,0]=4