0 B6R0.2 CC(=O)CC(=O)O DB01762 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(C)CC(=O)O DB03750 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.2 CC(C)SC(=N)N DB04018 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 CN(C)CC(=O)O DB02083 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 NC(=O)CC(=O)O DB02649 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 O=C(O)CC(=O)O DB02175 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 O=C([O-])CC(=O)[O-] DB02201 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CC(=O)CCO DB04094 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 CCCC(=O)O DB03568 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 CCCC(N)=O DB02121 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.1 CSCC(=O)[O-] DB03517 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CSC[S@](C)=O DB02311 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 C[Se]CC(=O)[O-] DB03098 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 C\C=C\C(=O)O DB02074 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.9 C[N+](C)(C)CC(=O)O DB04455 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,1,0,0,0,0|1,0,1]=3 19 B7R0.16 O=C(O)C(=O)C(=O)O DB03589 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,1,0,0,0,0|2,0,1]=4 21 B5R0.5 C=C(N)C(=O)O DB02688 [0,0,0,0,1,0|2,0,1]=4 22 B5R0.5 C=C(N)C(N)=O DB02002 [0,0,0,0,1,0|2,0,1]=4 23 B5R0.5 CC(=O)C(N)=O DB03578 [0,0,0,0,1,0|2,0,0]=3 24 B5R0.5 CC(=O)[C@@H](C)O DB04364 [0,0,0,0,1,0|1,0,1]=3 25 B5R0.5 CC(=O)[C@H](C)O DB02788 [0,0,0,0,1,0|1,0,1]=3 26 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [0,0,0,0,1,0|2,0,0]=3 27 B5R0.5 CC(C)C(=O)O DB02531 [0,0,0,0,1,0|1,0,1]=3 28 B5R0.5 C[C@@H](N)C(=O)O DB01786 [0,0,0,0,1,0|2,0,1]=4 29 B5R0.5 C[C@@H](O)C(=O)O DB03066 [0,0,0,0,1,0|2,0,1]=4 30 B5R0.5 NC(=O)C(=O)O DB03940 [0,0,0,0,1,0|3,0,0]=4 31 B5R0.5 O=C(O)C(=O)O DB03902 [0,0,0,0,1,0|3,0,0]=4 32 B7R0.6 CC(=O)CCC(=O)O DB02239 [0,0,0,0,0,1|2,0,1]=4 33 B7R0.6 CC(=O)CCC(=O)[O-] DB13800 [0,0,0,0,0,1|2,0,1]=4 34 B7R0.6 CC(=O)NCC(=O)O DB02713 [0,0,0,0,0,1|2,0,1]=4 35 B7R0.6 CC(C)CCC(=O)O DB03993 [0,0,0,0,0,1|1,0,2]=4 36 B7R0.6 O=C(O)\C=C/C(=O)O DB04299 [0,0,0,0,0,1|3,0,0]=4 37 B7R0.6 O=C(O)\C=C\C(=O)O DB01677 [0,0,0,0,0,1|3,0,0]=4 38 B4R0.1 C=CC(=O)O DB02579 [2,0,0,0,0,0|1,0,0]=3 39 B4R0.1 CC(=O)C=O DB03587 [2,0,0,0,0,0|1,0,0]=3 40 B4R0.1 CC(=O)O[Hg+] DB02176 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.1 CCC(N)=O DB04161 [2,0,0,0,0,0|1,0,1]=4 42 B4R0.1 CN(C)C=O DB01844 [2,0,0,0,0,0|1,0,0]=3 43 B4R0.1 C[C@H](O)C=O DB03776 [2,0,0,0,0,0|1,0,1]=4 44 B4R0.1 O=CC(=O)O DB04343 [2,0,0,0,0,0|2,0,0]=4 45 B4R0.2 C\C=C\C=O DB04381 [2,0,0,0,0,0|0,0,0]=2 46 B4R0.2 O=CCC=O DB03057 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.1 CCNC(=O)OC DB03919 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.1 CCOC(=O)NC DB02856 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.3 C=C(NC)C(=O)O DB03920 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.3 CCC(=O)C(=O)O DB04553 [1,1,0,0,0,0|1,0,1]=4 51 B6R0.3 C\C=C(/N)C(=O)O DB03720 [1,1,0,0,0,0|1,0,0]=3 52 B6R0.4 CCCOC(C)=O DB01670 [1,1,0,0,0,0|0,0,2]=4 53 B6R0.5 CC(C)(C)OC=O DB02768 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.5 C[N+](C)(C)CC=O DB04401 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.7 CC(C)(N)C(=O)O DB02952 [0,1,0,0,1,0|1,0,1]=4 56 B8R0.23 CC(C)CC(=O)C(=O)O DB03229 [0,1,0,0,0,1|1,0,1]=4 57 B6R1.2 CC1=CNC=C1 DB01932 [1,0,0,1,0,0|1,0,1]=4 58 B6R1.2 O=C1CCCO1 DB04699 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.4 O=C1CCNC(=O)N1 DB01849 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.18 [C@H]1(N)CC(O)=NC1=O DB03487 [0,1,0,1,0,0|2,0,0]=4