0 B5R0.1 CC(=O)CCO DB04094 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 CC(C)CCO DB02296 [0,0,0,0,0,0|0,0,4]=4 2 B5R0.1 CN(C)CCO DB13352 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.1 C\C=C\C(=O)O DB02074 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 C=CC(=O)O DB02579 [1,0,0,0,0,0|2,0,0]=3 5 B4R0.1 CC(=O)C=O DB03587 [1,0,0,0,0,0|1,0,0]=2 6 B4R0.1 CC(=O)O[Hg+] DB02176 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.1 CN(C)C=O DB01844 [1,0,0,0,0,0|1,0,0]=2 8 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 O=CC(=O)O DB04343 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.2 C\C=C\C=O DB04381 [1,0,0,0,0,0|0,0,0]=1 11 B4R0.2 O=CCC=O DB03057 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.2 CC(=O)CC(=O)O DB01762 [0,1,0,0,0,0|1,0,1]=3 13 B6R0.2 CC(C)CC(=O)O DB03750 [0,1,0,0,0,0|0,0,2]=3 14 B6R0.2 CC(C)SC(=N)N DB04018 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.2 CN(C)CC(=O)O DB02083 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.2 NC(=O)CC(=O)O DB02649 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.2 O=C(O)CC(=O)O DB02175 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.2 O=C([O-])CC(=O)[O-] DB02201 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.3 C\C=C(/N)C(=O)O DB03720 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.5 CC(C)(C)OC=O DB02768 [0,1,0,0,0,0|1,0,1]=3 21 B6R0.5 C[N+](C)(C)CC=O DB04401 [0,1,0,0,0,0|1,0,1]=3 22 B6R1.2 CC1=CN=CN1 DB03385 [0,0,0,1,0,0|2,0,1]=4 23 B6R1.2 CC1=CNC=C1 DB01932 [0,0,0,1,0,0|1,0,1]=3 24 B6R1.2 CN1C=C[NH+]=C1 DB02671 [0,0,0,1,0,0|2,0,1]=4 25 B3R0.1 C(N)=CS DB01968 [2,0,0,0,0,0|1,1,0]=4 26 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,1]=4 27 B3R0.2 CC(N)=O DB02736 [2,0,0,0,0,0|1,0,0]=3 28 B3R0.2 C[P@@H](=O)[O-] DB02825 [2,0,0,0,0,0|2,0,0]=4 29 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|2,0,0]=4 30 B3R0.2 NC(=O)O DB04261 [2,0,0,0,0,0|2,0,0]=4 31 B3R0.2 O=C([O-])[O-] DB13322 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.3 O=C[C@H](O)CO DB02536 [1,1,0,0,0,0|1,0,1]=4 33 B5R0.5 C=C(N)C(=O)O DB02688 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.5 C=C(N)C(N)=O DB02002 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.5 CC(=O)C(N)=O DB03578 [1,1,0,0,0,0|1,0,0]=3 36 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,1,0,0,0,0|1,0,1]=4 37 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,1,0,0,0,0|1,0,1]=4 38 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [1,1,0,0,0,0|1,0,0]=3 39 B5R0.5 CC(C)C(=O)O DB02531 [1,1,0,0,0,0|0,0,1]=3 40 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,1,0,0,0,0|1,0,1]=4 41 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,1,0,0,0,0|1,0,1]=4 42 B5R0.5 NC(=O)C(=O)O DB03940 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.5 O=C(O)C(=O)O DB03902 [1,1,0,0,0,0|2,0,0]=4 44 B5R0.2 CCCCC=O DB01919 [1,1,0,0,0,0|0,0,2]=4 45 B7R0.9 C[N+](C)(C)CC(=O)O DB04455 [0,2,0,0,0,0|1,0,1]=4 46 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,2,0,0,0,0|1,0,1]=4 47 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,2,0,0,0,0|0,0,1]=3 48 B7R0.16 O=C(O)C(=O)C(=O)O DB03589 [0,2,0,0,0,0|2,0,0]=4 49 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,2,0,0,0,0|1,0,1]=4 50 B7R0.6 CC(=O)CCC(=O)O DB02239 [0,2,0,0,0,0|1,0,1]=4 51 B7R0.6 CC(=O)CCC(=O)[O-] DB13800 [0,2,0,0,0,0|1,0,1]=4 52 B7R0.6 CC(=O)NCC(=O)O DB02713 [0,2,0,0,0,0|1,0,1]=4 53 B7R0.6 CC(C)CCC(=O)O DB03993 [0,2,0,0,0,0|0,0,2]=4 54 B7R0.6 O=C(O)\C=C/C(=O)O DB04299 [0,2,0,0,0,0|2,0,0]=4 55 B7R0.6 O=C(O)\C=C\C(=O)O DB01677 [0,2,0,0,0,0|2,0,0]=4 56 B5R1.1 C1=CNN=C1 DB02757 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.3 CC1=CC=CN=C1 DB01996 [0,1,0,1,0,0|1,0,1]=4 58 B7R1.4 CC1=[NH+]C=CN1C DB03789 [0,1,0,1,0,0|2,0,0]=4