0 B6R0.6 NCCCCCN DB03854 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 O=CCCCC=O DB03266 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.2 CCCCC=O DB01919 [1,0,0,0,0,0|0,0,2]=3 3 B5R0.2 CCCCCN DB02045 [1,0,0,0,0,0|1,0,0]=2 4 B5R0.2 CCOCCO DB02249 [1,0,0,0,0,0|1,0,0]=2 5 B5R0.2 COCCOC DB01749 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.2 NCCCCN DB01917 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.2 OCCCCO DB01955 [1,0,0,0,0,0|1,0,0]=2 8 B5R0.2 [C-]#[N+]CCCC DB01826 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.2 [NH3+]CCCCO DB02541 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.1 CCCCCON=O DB01612 [0,1,0,0,0,0|1,0,1]=3 11 B7R0.1 NCCCCCCN DB03260 [0,1,0,0,0,0|1,0,0]=2 12 B7R0.1 OCCCCCCBr DB04637 [0,1,0,0,0,0|0,0,0]=1 13 B7R0.1 OCCCCCCO DB02210 [0,1,0,0,0,0|0,0,0]=1 14 B7R0.1 OCCSSCCO DB02486 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.3 CCCCC(O)CO DB14108 [0,1,0,0,0,0|0,0,0]=1 16 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [0,1,0,0,0,0|0,0,2]=3 17 B7R0.4 NC(=[NH2+])NCCCO DB03637 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.4 O=C(O)CCCCO DB04781 [0,1,0,0,0,0|1,0,1]=3 19 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [0,1,0,0,0,0|1,0,1]=3 20 B7R0.7 CN(CCCl)CCCl DB00888 [0,1,0,0,0,0|3,0,0]=4 21 B7R1.1 NC[C@@H]1CCCN1 DB03253 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.3 NC1CCCCC1 DB04996 [0,0,0,1,0,0|1,0,0]=2 23 B7R1.3 O=C1CCCCC1 DB02060 [0,0,0,1,0,0|0,0,2]=3 24 B7R1.3 OC1CCCCC1 DB03703 [0,0,0,1,0,0|0,0,0]=1 25 B7R1.3 [C@@H]1(N)CCC=NC1 DB04504 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.3 [NH3+]C1CCCCC1 DB02995 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.4 CN1CCCC1=O DB12521 [0,0,0,1,0,0|1,0,2]=4 28 B4R0.2 CCCCN DB03659 [2,0,0,0,0,0|1,0,0]=3 29 B4R0.2 CCCCO DB02145 [2,0,0,0,0,0|0,0,0]=2 30 B4R0.2 COCCO DB02806 [2,0,0,0,0,0|1,0,0]=3 31 B4R0.2 OCCCO DB02774 [2,0,0,0,0,0|1,0,0]=3 32 B4R0.2 [C-]#[N+]CCC DB04050 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.1 OC[C@@H](O)CSO DB01684 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.4 CCCCB(O)O DB02664 [1,1,0,0,0,0|1,0,0]=3 35 B6R0.4 CCCCC(=O)O DB02406 [1,1,0,0,0,0|0,0,1]=3 36 B6R0.4 CCCOC(C)=O DB01670 [1,1,0,0,0,0|1,0,1]=4 37 B6R0.4 NCCCC(=O)O DB02530 [1,1,0,0,0,0|1,0,1]=4 38 B6R0.4 O=C([O-])CCCO DB01440 [1,1,0,0,0,0|1,0,1]=4 39 B6R0.4 O=C([O-])CCCO DB09072 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.4 CCCCCCCCO DB12452 [0,2,0,0,0,0|0,0,0]=2 41 B8R0.4 COCCOCCOC DB02935 [0,2,0,0,0,0|1,0,0]=3 42 B8R0.6 C=C[C@@H](O)CCCCC DB03025 [0,2,0,0,0,0|0,0,0]=2 43 B8R0.6 CCCCNC(=N)NO DB02727 [0,2,0,0,0,0|1,0,1]=4 44 B8R0.7 CCCCCCC(=O)O DB02938 [0,2,0,0,0,0|0,0,0]=2 45 B8R0.7 CCCCCCC(N)=O DB02641 [0,2,0,0,0,0|0,0,1]=3 46 B8R0.7 NCCCCCC(=O)O DB00513 [0,2,0,0,0,0|0,0,1]=3 47 B8R0.8 CCCC[C@@H](N)C(=O)O DB04419 [0,2,0,0,0,0|0,0,1]=3 48 B8R0.8 CSCCC(N)C(=O)O DB13972 [0,2,0,0,0,0|1,0,1]=4 49 B8R0.8 CSCC[C@@H](N)C(=O)O DB02893 [0,2,0,0,0,0|1,0,1]=4 50 B8R0.8 CSCC[C@H](N)C(=O)O DB00134 [0,2,0,0,0,0|1,0,1]=4 51 B8R0.8 CSCC[C@H](N)[P@H](=O)O DB04015 [0,2,0,0,0,0|2,0,0]=4 52 B8R0.8 C[Se]CC[C@H](N)C(=O)O DB11142 [0,2,0,0,0,0|1,0,1]=4 53 B8R0.8 NCCC[C@H](N)C(=O)O DB00129 [0,2,0,0,0,0|1,0,1]=4 54 B8R0.8 N[C@@H](CCCO)C(=O)O DB03105 [0,2,0,0,0,0|1,0,1]=4 55 B8R0.9 [C@@H](N)(CC)CCC(=O)O DB04235 [0,2,0,0,0,0|0,0,1]=3 56 B6R1.1 C1CCOCC1 DB02412 [1,0,0,1,0,0|0,0,0]=2 57 B6R1.1 C1CNCCN1 DB00592 [1,0,0,1,0,0|2,0,0]=4 58 B6R1.1 C1COCCO1 DB03316 [1,0,0,1,0,0|1,0,0]=3 59 B6R1.2 O=C1CCCO1 DB04699 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.2 O=CN1CCCCC1 DB04113 [0,1,0,1,0,0|0,0,2]=4 61 B8R1.2 [NH3+]CC1CCCCC1 DB02435 [0,1,0,1,0,0|1,0,0]=3 62 B8R1.5 O[C@H]1CSSC[C@@H]1O DB01822 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.5 [C@@H]1(O)CSSC[C@H]1O DB02693 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.40 [C@@H](C)(C=O)CC1CC1 DB03736 [0,1,0,1,0,0|0,0,2]=4 65 B8R1.7 O=C(O)[C@@H]1CCCN1 DB00172 [0,1,0,1,0,0|1,0,1]=4 66 B8R1.7 O=C(O)[C@H]1CCCN1 DB02853 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.7 O=C(O)[C@H]1CCCO1 DB03051 [0,1,0,1,0,0|1,0,1]=4