0 B6R0.1 CCNC(=O)OC DB03919 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CCOC(=O)NC DB02856 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 OC[C@@H](O)CSO DB01684 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 CC(=O)CCO DB04094 [1,0,0,0,0,0|1,0,2]=4 4 B5R0.1 CC(C)CCO DB02296 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 CC(O)CCO DB14110 [1,0,0,0,0,0|1,0,0]=2 6 B5R0.1 CCCC(=O)O DB03568 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.1 CCCC(N)=O DB02121 [1,0,0,0,0,0|1,0,2]=4 8 B5R0.1 CN(C)CCO DB13352 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.1 CSC[S@](C)=O DB02311 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 C[C@H](O)CCO DB02202 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.1 NCCC(=O)O DB03107 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 O=C(O)CCO DB03688 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 CCCCC=O DB01919 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.2 CCCCCN DB02045 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.2 CCOCCO DB02249 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.2 COCCOC DB01749 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.2 NCCCCN DB01917 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.2 OCCCCO DB01955 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.2 [C-]#[N+]CCCC DB01826 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.2 [NH3+]CCCCO DB02541 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.3 O=C[C@H](O)CO DB02536 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.3 OC[C@@H](O)CS DB03864 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.3 CCCCC(O)CO DB14108 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.7 CCO[PH](=O)OCC DB02811 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.10 OC[C@H](O)[C@@H](O)CO DB03278 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.10 OC[C@H](O)[C@H](O)CO DB04481 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.10 O[C@@H](CS)[C@@H](O)CS DB04447 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.10 O[C@H](CS)[C@H](O)CS DB02184 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.10 [C@@H](O)(CS)[C@@H](O)CS DB01692 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.1 NC[C@@H]1CCCN1 DB03253 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.3 O=C1CCCCC1 DB02060 [0,0,0,1,0,0|0,0,2]=3 34 B7R1.3 OC1CCCCC1 DB03703 [0,0,0,1,0,0|0,0,0]=1 35 B7R1.3 [C@@H]1(N)CCC=NC1 DB04504 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.3 [NH3+]C1CCCCC1 DB02995 [0,0,0,1,0,0|1,0,0]=2 37 B4R0.1 CC[C@@H](C)O DB02606 [2,0,0,0,0,0|0,0,0]=2 38 B4R0.1 C[C@@H](Cl)CCl DB01701 [2,0,0,0,0,0|2,0,0]=4 39 B4R0.1 C[C@@H](O)CO DB02159 [2,0,0,0,0,0|1,0,0]=3 40 B4R0.1 C[C@H](O)C=O DB03776 [2,0,0,0,0,0|1,0,1]=4 41 B4R0.1 C[C@H](O)CBr DB03335 [2,0,0,0,0,0|1,0,0]=3 42 B4R0.1 C[C@H](O)CO DB04349 [2,0,0,0,0,0|1,0,0]=3 43 B4R0.1 C[C@H](O)C[NH3+] DB02576 [2,0,0,0,0,0|1,0,0]=3 44 B4R0.2 CCCCN DB03659 [2,0,0,0,0,0|1,0,0]=3 45 B4R0.2 CCCCO DB02145 [2,0,0,0,0,0|0,0,0]=2 46 B4R0.2 COCCO DB02806 [2,0,0,0,0,0|1,0,0]=3 47 B4R0.2 OCCCO DB02774 [2,0,0,0,0,0|1,0,0]=3 48 B4R0.2 [C-]#[N+]CCC DB04050 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.2 CC(C)CC(=O)O DB03750 [1,1,0,0,0,0|1,0,1]=4 50 B6R0.2 CC(C)C[C@@H](C)N DB02107 [1,1,0,0,0,0|1,0,0]=3 51 B6R0.3 CC(C)[C@H](N)CO DB04383 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [1,1,0,0,0,0|1,0,1]=4 53 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [1,1,0,0,0,0|1,0,0]=3 55 B6R0.4 CCCCB(O)O DB02664 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.4 CCCCC(=O)O DB02406 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.4 CCCOC(C)=O DB01670 [1,1,0,0,0,0|0,0,2]=4 58 B6R0.6 NCCCCCN DB03854 [1,1,0,0,0,0|1,0,0]=3 59 B8R0.34 [C@@H](C)(O)C[C@](C)(O)CO DB01881 [0,2,0,0,0,0|1,0,0]=3 60 B8R0.6 C=C[C@@H](O)CCCCC DB03025 [0,2,0,0,0,0|0,0,2]=4 61 B8R0.9 [C@@H](N)(CC)CCC(=O)O DB04235 [0,2,0,0,0,0|1,0,1]=4 62 B8R0.30 CCOP(O)(=S)OCC DB07674 [0,2,0,0,0,0|2,0,0]=4 63 B6R1.2 O=C1CCCO1 DB04699 [1,0,0,1,0,0|1,0,1]=4 64 B6R1.1 C1CCOCC1 DB02412 [1,0,0,1,0,0|1,0,0]=3 65 B6R1.1 C1COCCO1 DB03316 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.2 O=CN1CCCCC1 DB04113 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.2 [NH3+]CC1CCCCC1 DB02435 [0,1,0,1,0,0|1,0,0]=3 68 B8R1.5 O[C@H]1CSSC[C@@H]1O DB01822 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.5 [C@@H]1(O)CSSC[C@H]1O DB02693 [0,1,0,1,0,0|2,0,0]=4 70 B8R1.7 O=C(O)[C@H]1CCCO1 DB03051 [0,1,0,1,0,0|1,0,1]=4