0 B7R0.1 NCCCCCCN DB03260 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.1 OCCCCCCBr DB04637 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.1 OCCCCCCO DB02210 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.1 OCCSSCCO DB02486 [0,0,0,0,0,0|2,1,0]=3 4 B6R0.6 NCCCCCN DB03854 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.4 COCCOCCOC DB02935 [0,1,0,0,0,0|1,0,0]=2 6 B8R0.6 C=C[C@@H](O)CCCCC DB03025 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.6 CCCCNC(=N)NO DB02727 [0,1,0,0,0,0|2,0,1]=4 8 B8R0.7 CCCCCCC(=O)O DB02938 [0,1,0,0,0,0|1,0,1]=3 9 B8R0.7 CCCCCCC(N)=O DB02641 [0,1,0,0,0,0|1,0,2]=4 10 B8R1.2 [NH3+]CC1CCCCC1 DB02435 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.5 O[C@H]1CSSC[C@@H]1O DB01822 [0,0,0,1,0,0|2,1,0]=4 12 B8R1.5 [C@@H]1(O)CSSC[C@H]1O DB02693 [0,0,0,1,0,0|2,1,0]=4 13 B5R0.2 CCCCC=O DB01919 [2,0,0,0,0,0|0,0,2]=4 14 B5R0.2 CCCCCN DB02045 [2,0,0,0,0,0|1,0,0]=3 15 B5R0.2 CCOCCO DB02249 [2,0,0,0,0,0|0,0,0]=2 16 B5R0.2 COCCOC DB01749 [2,0,0,0,0,0|1,0,0]=3 17 B5R0.2 NCCCCN DB01917 [2,0,0,0,0,0|2,0,0]=4 18 B5R0.2 OCCCCO DB01955 [2,0,0,0,0,0|1,0,0]=3 19 B5R0.2 [C-]#[N+]CCCC DB01826 [2,0,0,0,0,0|1,0,1]=4 20 B5R0.2 [NH3+]CCCCO DB02541 [2,0,0,0,0,0|1,0,0]=3 21 B7R0.3 CCCCC(O)CO DB14108 [1,1,0,0,0,0|0,0,0]=2 22 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [1,1,0,0,0,0|0,0,2]=4 23 B7R0.4 O=C(O)CCCCO DB04781 [1,1,0,0,0,0|1,0,1]=4 24 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [1,1,0,0,0,0|1,0,1]=4 25 B7R0.7 CCO[PH](=O)OCC DB02811 [1,1,0,0,0,0|2,0,0]=4 26 B9R0.8 [C@@H](O)(CO)[C@H](O)CCCC DB04079 [0,2,0,0,0,0|1,0,0]=3 27 B9R0.2 CCCCCCCC(=O)O DB04519 [0,2,0,0,0,0|1,0,0]=3 28 B9R0.45 CCCCCCCCCO DB03143 [0,2,0,0,0,0|1,0,0]=3 29 B9R0.45 CCCCCCCNC=O DB04105 [0,2,0,0,0,0|1,0,1]=4 30 B9R0.45 CCOCCOCCOC DB03508 [0,2,0,0,0,0|0,0,0]=2 31 B9R0.45 NCCCCCCCCN DB04333 [0,2,0,0,0,0|2,0,0]=4 32 B9R0.45 NCCCCNCCCN DB03566 [0,2,0,0,0,0|2,0,0]=4 33 B9R0.45 OCCOCCOCCO DB02327 [0,2,0,0,0,0|0,0,0]=2 34 B9R0.46 NCCCSC[C@H](N)CO DB04648 [0,2,0,0,0,0|1,1,0]=4 35 B7R1.1 NC[C@@H]1CCCN1 DB03253 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.3 O=C1CCCCC1 DB02060 [1,0,0,1,0,0|0,0,2]=4 37 B7R1.3 OC1CCCCC1 DB03703 [1,0,0,1,0,0|0,0,0]=2 38 B7R1.3 [NH3+]C1CCCCC1 DB02995 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.8 NCCN1CCOCC1 DB03096 [0,1,0,1,0,0|2,0,0]=4 40 B9R1.69 [C@H]1(O)CC[C@H](O)O[C@@H]1C DB03872 [0,1,0,1,0,0|2,0,0]=4 41 B9R1.132 OC[C@@H]1NC[C@H](O)[C@H]1O DB03411 [0,1,0,1,0,0|2,0,0]=4