0 B6R0.6 NCCCCCN DB03854 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 O=CCCCC=O DB03266 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.2 CCCCC=O DB01919 [1,0,0,0,0,0|0,0,0]=1 3 B5R0.2 CCCCCN DB02045 [1,0,0,0,0,0|1,0,1]=3 4 B5R0.2 CCOCCO DB02249 [1,0,0,0,0,0|1,0,2]=4 5 B5R0.2 COCCOC DB01749 [1,0,0,0,0,0|1,1,1]=4 6 B5R0.2 NCCCCN DB01917 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.2 OCCCCO DB01955 [1,0,0,0,0,0|0,1,2]=4 8 B5R0.2 [C-]#[N+]CCCC DB01826 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.2 [NH3+]CCCCO DB02541 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.1 NCCCCCCN DB03260 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.1 OCCCCCCBr DB04637 [0,1,0,0,0,0|1,0,2]=4 12 B7R0.1 OCCCCCCO DB02210 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.3 CCCCC(O)CO DB14108 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [0,1,0,0,0,0|1,0,0]=2 15 B7R0.4 O=C(O)CCCCO DB04781 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.3 O=C1CCCCC1 DB02060 [0,0,0,1,0,0|1,0,0]=2 18 B7R1.3 OC1CCCCC1 DB03703 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.3 [NH3+]C1CCCCC1 DB02995 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,0,0,1,0,0|3,0,0]=4 21 B4R0.2 CCCCN DB03659 [2,0,0,0,0,0|1,0,0]=3 22 B4R0.2 CCCCO DB02145 [2,0,0,0,0,0|0,0,1]=3 23 B4R0.2 COCCO DB02806 [2,0,0,0,0,0|0,1,1]=4 24 B4R0.2 C\C=C\C=O DB04381 [2,0,0,0,0,0|0,0,2]=4 25 B4R0.2 O=CCC=O DB03057 [2,0,0,0,0,0|0,1,1]=4 26 B4R0.2 OCCCO DB02774 [2,0,0,0,0,0|0,1,1]=4 27 B4R0.2 [C-]#[N+]CCC DB04050 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.1 OC[C@@H](O)CSO DB01684 [1,1,0,0,0,0|1,0,1]=4 29 B6R0.4 CCCCB(O)O DB02664 [1,1,0,0,0,0|1,0,1]=4 30 B6R0.4 CCCCC(=O)O DB02406 [1,1,0,0,0,0|0,0,0]=2 31 B6R0.4 CCCOC(C)=O DB01670 [1,1,0,0,0,0|1,0,0]=3 32 B8R0.6 C=C[C@@H](O)CCCCC DB03025 [0,2,0,0,0,0|2,0,0]=4 33 B8R0.7 CCCCCCC(=O)O DB02938 [0,2,0,0,0,0|1,0,0]=3 34 B8R0.7 CCCCCCC(N)=O DB02641 [0,2,0,0,0,0|1,0,0]=3 35 B8R0.8 CCCC[C@@H](N)C(=O)O DB04419 [0,2,0,0,0,0|1,0,0]=3 36 B8R0.8 CSCCC(=O)C(=O)O DB02238 [0,2,0,0,0,0|0,0,1]=3 37 B8R0.8 CSCCC(N)C(=O)O DB13972 [0,2,0,0,0,0|0,0,0]=2 38 B8R0.8 CSCC[C@@H](N)C(=O)O DB02893 [0,2,0,0,0,0|0,0,0]=2 39 B8R0.8 CSCC[C@H](N)[P@H](=O)O DB04015 [0,2,0,0,0,0|1,0,0]=3 40 B8R0.8 C[Hg]SC[C@@H](N)C(=O)O DB02750 [0,2,0,0,0,0|2,0,0]=4 41 B8R0.8 NOCC[C@H](N)C(=O)O DB02821 [0,2,0,0,0,0|1,1,0]=4 42 B8R0.8 N[C@@H](CCC=O)C(=O)O DB04388 [0,2,0,0,0,0|2,0,0]=4 43 B8R0.8 N[C@@H](CCCO)C(=O)O DB03105 [0,2,0,0,0,0|2,0,0]=4 44 B8R0.8 [C@H](N)(CSSC)C(=O)O DB02361 [0,2,0,0,0,0|1,0,0]=3 45 B8R0.8 [NH3+][C@@H](CCC=O)C(=O)O DB03774 [0,2,0,0,0,0|2,0,0]=4 46 B8R0.9 C(C)=C(/N)CCC(=O)O DB01699 [0,2,0,0,0,0|1,0,1]=4 47 B8R0.9 [C@@H](N)(CC)CCC(=O)O DB04235 [0,2,0,0,0,0|1,0,0]=3 48 B8R0.28 O=C(O)CCCC(=O)O DB03553 [0,2,0,0,0,0|2,0,0]=4 49 B6R1.1 C1CCOCC1 DB02412 [1,0,0,1,0,0|0,0,2]=4 50 B6R1.2 NC1=NCCS1 DB02335 [1,0,0,1,0,0|2,0,0]=4 51 B6R1.2 O=C1CCCO1 DB04699 [1,0,0,1,0,0|0,1,0]=3 52 B8R1.2 O=CN1CCCCC1 DB04113 [0,1,0,1,0,0|1,0,0]=3 53 B8R1.1 [C@@H]1(C=O)CCC(O)=N1 DB03901 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.40 [C@@H](C)(C=O)CC1CC1 DB03736 [0,1,0,1,0,0|1,0,0]=3 55 B8R1.7 O=C(O)[C@H]1CCCN1 DB02853 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.7 O=C(O)[C@H]1CCCO1 DB03051 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.7 [C@@H]1(C(=O)O)CSCN1 DB02846 [0,1,0,1,0,0|1,0,0]=3