0 B6R0.3 C#C[C@H](N)C(=O)O DB04217 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.3 C=C(NC)C(=O)O DB03920 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.3 C=C[C@@H]([NH3+])C(=O)[O-] DB01804 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.3 C=C[C@H](N)C(=O)O DB03214 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.3 CCC(=O)C(=O)O DB04553 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,0,0,0,0,0|0,0,2]=2 6 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,0,0,0,0,0|1,0,3]=4 8 B6R0.3 C\C=C(/N)C(=O)O DB03720 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.3 O=C(O)C(=O)CO DB02951 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CCCC(=O)O DB03568 [1,0,0,0,0,0|0,0,2]=3 15 B5R0.1 CCCC(N)=O DB02121 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 CSCC(=O)[O-] DB03517 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 C[Se]CC(=O)[O-] DB03098 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 C\C=C\C(=O)O DB02074 [1,0,0,0,0,0|0,0,0]=1 20 B5R0.1 NCCC(=O)O DB03107 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.1 NOCC(=O)O DB02079 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 O=C(O)CCO DB03688 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.5 C=C(N)C(=O)O DB02688 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.5 C=C(N)C(N)=O DB02002 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.5 CC(=O)C(N)=O DB03578 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.5 CC(C)C(=O)O DB02531 [1,0,0,0,0,0|0,0,1]=2 30 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.5 NC(=O)C(=O)O DB03940 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.5 O=C(O)C(=O)O DB03902 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.5 C(C)=CC(=O)C(=O)O DB02005 [0,1,0,0,0,0|1,0,0]=2 35 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,1,0,0,0,0|1,0,2]=4 36 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,1,0,0,0,0|1,0,2]=4 39 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.13 CC[C@@](C)(N)C(=O)O DB04171 [0,1,0,0,0,0|0,0,2]=3 42 B7R0.15 C\C=C(/NC)C(=O)O DB04225 [0,1,0,0,0,0|0,0,0]=1 43 B7R0.15 [C@H](CN)(CO)C(=O)O DB02904 [0,1,0,0,0,0|1,0,2]=4 44 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,1,0,0,0,0|1,0,1]=3 45 B7R0.16 CC(C(=O)O)C(=O)O DB04183 [0,1,0,0,0,0|1,0,1]=3 46 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.16 NC(C(=O)O)C(=O)O DB02289 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.16 O=C(O)C(=O)C(=O)O DB03589 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,1,0,0,0,0|1,0,1]=3 52 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,1,0,0,0,0|1,0,2]=4 53 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.19 NC1(C(=O)O)CC1 DB02085 [0,0,0,1,0,0|1,0,2]=4 55 B7R0.2 O=CN(O)CC(=O)O DB02109 [0,0,0,0,0,1|3,0,0]=4 56 B4R0.1 C=C(Br)CO DB04320 [2,0,0,0,0,0|1,0,1]=4 57 B4R0.1 C=CC(=O)O DB02579 [2,0,0,0,0,0|0,0,0]=2 58 B4R0.1 CC(=O)C=O DB03587 [2,0,0,0,0,0|1,0,0]=3 59 B4R0.1 CC(=O)O[Hg+] DB02176 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.1 CCC(N)=O DB04161 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.1 CC[C@@H](C)O DB02606 [2,0,0,0,0,0|0,0,2]=4 62 B4R0.1 CN(C)C=O DB01844 [2,0,0,0,0,0|1,0,0]=3 63 B4R0.1 C[C@H](O)C=O DB03776 [2,0,0,0,0,0|1,0,1]=4 64 B4R0.1 O=C(O)CBr DB02198 [2,0,0,0,0,0|1,0,1]=4 65 B4R0.1 O=CC(=O)O DB04343 [2,0,0,0,0,0|1,0,0]=3 66 B4R0.2 C\C=C\C=O DB04381 [2,0,0,0,0,0|0,0,0]=2 67 B4R0.2 O=CCC=O DB03057 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.1 CCNC(=O)OC DB03919 [1,1,0,0,0,0|1,0,1]=4 69 B6R0.2 CC(=O)CC(=O)O DB01762 [1,1,0,0,0,0|0,0,1]=3 70 B6R0.2 CC(C)CC(=O)O DB03750 [1,1,0,0,0,0|0,0,2]=4 71 B6R0.2 CN(C)CC(=O)O DB02083 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.2 NC(=O)CC(=O)O DB02649 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.2 O=C(O)CC(=O)O DB02175 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.4 CCCCC(=O)O DB02406 [1,1,0,0,0,0|0,0,2]=4 75 B6R0.7 CC(C)(N)C(=O)O DB02952 [1,1,0,0,0,0|0,0,1]=3 76 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O DB01739 [0,1,0,0,0,1|0,0,2]=4 77 B8R0.23 C\C(=C\C(=O)O)C(=O)O DB04734 [0,1,0,0,0,1|1,0,0]=3 78 B8R0.8 C(OC)=C[C@H](N)C(=O)O DB03611 [0,2,0,0,0,0|1,0,1]=4 79 B8R0.8 CSCCC(=O)C(=O)O DB02238 [0,2,0,0,0,0|1,0,1]=4 80 B6R1.2 O=C1CCCO1 DB04699 [1,0,0,1,0,0|0,0,2]=4 81 B8R1.4 CC1=CC=CC(O)=C1 DB01776 [0,0,0,1,0,1|1,0,1]=4 82 B8R1.7 O=C(O)C1=CC=CN1 DB02543 [0,1,0,1,0,0|0,0,2]=4 83 B8R1.7 O=C(O)C1=CSC=N1 DB03422 [0,1,0,1,0,0|1,0,1]=4 84 B8R1.7 O=C(O)[C@H]1CCCN1 DB02853 [0,1,0,1,0,0|0,0,2]=4 85 B8R1.7 O=C(O)[C@H]1CCCO1 DB03051 [0,1,0,1,0,0|0,0,2]=4 86 B8R1.7 O=C([O-])C1=[NH+]CCC1 DB02838 [0,1,0,1,0,0|0,0,2]=4 87 B8R1.7 [C@@H]1(C(=O)O)CSCN1 DB02846 [0,1,0,1,0,0|1,0,1]=4 88 B8R0.9 C(C)=C(/N)CCC(=O)O DB01699 [0,0,0,0,0,2|1,0,0]=3