0 B8R0.2 CCC(C)C(N)C(O)=O AC510945 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.2 CC[C@H](C)[C@@H](C(=N)O)N LN00239756 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.2 CC[C@H](C)CC(O)=O AC181465 [1,0,0,0,0,0|0,0,1]=2 3 B7R0.5 CCC[C@H](N)C(O)=O AC180580 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.5 CCOC(=S)C(N)=O AC180611 [1,0,0,0,0,0|2,1,0]=4 5 B7R0.5 COC[C@@H](N)C(O)=O AC021210 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.5 COC[C@H](N)C(O)=O AC511991 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.5 NC(CCO)C(O)=O AC511583 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.5 NCCC(N)C(O)=O AC511576 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.5 NCC[C@H](N)C(O)=O HY-101414 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.5 NCC[C@H](O)C(O)=O AC181087 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.5 N[C@@H](CCO)C(O)=O AC180567 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.16 CC(C)[C@@H](N)C(N)=O AC180985 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC180082 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC510903 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.16 C[C@H](O)[C@H](N)C(O)=O AC511642 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.41 CN1CCC[C@@H]1C(O)=O AC170043 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.41 CN1CCC[C@@H]1C(O)=O AC170136 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.41 CN1CCC[C@H]1C(O)=O AC180772 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.110 NC(C1CCC1)C(O)=O AC050494 [0,0,0,1,0,0|1,0,1]=3 20 B9R1.110 N[C@H](C1CCC1)C(O)=O AC050744 [0,0,0,1,0,0|1,0,1]=3 21 B6R0.1 CCOC(=O)CO AC130521 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.2 CC(C)CC(N)=O HY-B1229 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.2 CN(C)CC(O)=O AC130146 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.2 CN(C)CC(O)=O AC130178 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.2 C[C@@H](CC(=O)O)N LN01357699 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.2 C[C@H](N)CC(O)=O AC130275 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.4 CCCOC(N)=O AC512151 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.4 COCCC(O)=O AC100057 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.4 CSCCC(O)=O HY-101401 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.4 OC(=O)CCCBr AC511629 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.3 CC(C)C(Cl)=NO AC010412 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.3 CCC(C)C(O)=O AC180050 [2,0,0,0,0,0|0,0,0]=2 33 B6R0.3 CCC(N)C(N)=O AC021619 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.3 CC[C@@H](N)C(O)=O AC180579 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.3 CC[C@H](N)C(O)=O AC511519 [2,0,0,0,0,0|1,0,0]=3 36 B6R0.3 COC(=O)C(C)C AC130130 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.3 COC(C)C(O)=O AC511149 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.3 CO[C@@H](C)C(O)=O AC100006 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.3 NC[C@H](N)C(O)=O AC511517 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.3 N[C@H](CO)C(O)=O AC180073 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.3 N[C@H](CS)C(O)=O AC180279 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.3 OC(=O)C(=O)CBr HY-19992 [2,0,0,0,0,0|1,0,0]=3 43 B8R0.23 CC(C)[C@@H](CC(=O)O)N LN01359931 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.23 CC(C)[C@@H](CC(=O)O)N LN01364924 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.23 CC(C)[C@H](CC(=O)O)N LN00009939 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.23 CC(C)[C@H](CC(=O)O)N LN01366567 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.3 CCCC(Br)C(=O)OC AC020863 [1,1,0,0,0,0|1,0,1]=4 48 B8R0.3 CCC[C@@H](N)C(=O)OC AC020453 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.3 CCOC(=O)C(/Cl)=N/O AC180247 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.3 CCOC(=O)C(=O)CBr AC131178 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.8 C[Se]CCC(N)C(O)=O HY-B1000 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.8 C[Se]CC[C@H](N)C(O)=O HY-B1000A [1,1,0,0,0,0|1,0,1]=4 53 B8R0.8 NCCC[C@H](N)C(O)=O HY-B1352 [1,1,0,0,0,0|1,0,1]=4 54 B8R0.27 CC(C)(C)C(N)C(O)=O AC180589 [1,1,0,0,0,0|1,0,1]=4 55 B8R0.27 CC(C)(C)[C@@H](N)C(O)=O AC180072 [1,1,0,0,0,0|1,0,1]=4 56 B8R0.27 CC(C)(C)[C@H](N)C(O)=O AC180575 [1,1,0,0,0,0|1,0,1]=4 57 B8R0.27 CC(C)(S)[C@@H](N)C(O)=O HY-B0300 [1,1,0,0,0,0|1,0,1]=4 58 B8R0.27 CC(C)([C@@H](C(=O)O)N)O LN00336715 [1,1,0,0,0,0|1,0,1]=4 59 B8R0.27 CC(C)([C@H](C(=O)O)N)O LN00336018 [1,1,0,0,0,0|1,0,1]=4 60 B8R0.37 CC(C)[C@@](C)(C(=O)O)N LN01299773 [1,1,0,0,0,0|1,0,1]=4 61 B8R1.4 CN1CCOC(=O)C1 AC170002 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.34 OC(=O)CC1CCC1 AC050613 [1,0,0,1,0,0|0,0,1]=3 63 B8R1.5 O=C1CCCCC1=O AC500073 [1,0,0,1,0,0|1,0,0]=3 64 B8R1.7 OC(=O)C1=CCCC1 AC120012 [1,0,0,1,0,0|1,0,0]=3 65 B8R1.7 OC(=O)C1CCCC1 AC180019 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.7 OC(=O)C1CCCC1 AC500306 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.7 OC(=O)C1CCCO1 AC511285 [1,0,0,1,0,0|0,0,2]=4 68 B8R1.7 OC(=O)C1CCCS1 AC040081 [1,0,0,1,0,0|0,1,1]=4 69 B8R1.7 OC(=O)[C@@H]1CCCO1 AC190278 [1,0,0,1,0,0|0,0,2]=4 70 B8R1.78 CC1(CCC1)C(O)=O AC511926 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.78 NC1(CCC1)C(O)=O AC020496 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.78 NC1(CCC1)C(O)=O AC050465 [1,0,0,1,0,0|1,0,1]=4 73 B10R1.204 NC(CC1CCC1)C(O)=O AC050153 [0,0,0,1,0,1|1,0,1]=4 74 B10R1.204 N[C@@H](CC1CCC1)C(O)=O AC050268 [0,0,0,1,0,1|1,0,1]=4 75 B10R1.204 N[C@@H](CC1CCC1)C(O)=O AC050401 [0,0,0,1,0,1|1,0,1]=4 76 B10R1.23 NC(C1CCNC1)C(O)=O AC050281 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.182 COC(=O)[C@@H](N)C1CCC1 AC050283 [0,1,0,1,0,0|1,0,1]=4