0 B9R0.2 CCCCCCCC(=O)O DB04519 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.7 CCCCCCC(=O)O DB02938 [1,0,0,0,0,0|0,0,0]=1 2 B8R0.7 CCCCCCC(N)=O DB02641 [1,0,0,0,0,0|1,0,0]=2 3 B10R0.75 CNCCCC[C@H](N)C(=O)O DB01714 [0,1,0,0,0,0|1,0,0]=2 4 B10R0.75 N[C@@H](CSSCCO)C(=O)O DB04530 [0,1,0,0,0,0|3,0,0]=4 5 B10R0.75 [C@H](N)(CCOCCN)C(=O)O DB02971 [0,1,0,0,0,0|2,0,0]=3 6 B10R0.75 [C@H](O)(CCCCCC)C(=O)O DB07907 [0,1,0,0,0,0|0,0,0]=1 7 B10R0.97 CC(O)CCOCCC(C)O DB14079 [0,1,0,0,0,0|2,0,1]=4 8 B10R0.97 O=C(O)CCCCCC(=O)O DB01856 [0,1,0,0,0,0|1,0,1]=3 9 B10R1.16 [C@H]1(CCCC)CC[S@](=O)C1 DB02871 [0,0,0,1,0,0|2,0,0]=3 10 B7R0.1 NCCCCCCN DB03260 [2,0,0,0,0,0|2,0,0]=4 11 B7R0.1 OCCCCCCBr DB04637 [2,0,0,0,0,0|1,0,0]=3 12 B7R0.1 OCCCCCCO DB02210 [2,0,0,0,0,0|1,0,0]=3 13 B7R0.4 O=C(O)CCCCO DB04781 [2,0,0,0,0,0|1,0,0]=3 14 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [2,0,0,0,0,0|1,0,0]=3 15 B9R0.5 CCCCC[C@H](C)NC=O DB03061 [1,1,0,0,0,0|1,0,0]=3 16 B9R0.45 CCCCCCCCCO DB03143 [1,1,0,0,0,0|0,0,1]=3 17 B9R0.45 CCCCCCCNC=O DB04105 [1,1,0,0,0,0|0,0,0]=2 18 B9R0.45 NCCCCCCCCN DB04333 [1,1,0,0,0,0|1,0,1]=4 19 B9R0.46 [C@@H](N)(C=O)CSSCCC DB03654 [1,1,0,0,0,0|2,0,0]=4 20 B9R0.47 NC(=O)[C@@H](N)CCCC[NH3+] DB03988 [1,1,0,0,0,0|2,0,0]=4 21 B9R0.47 NCCCC[C@@H](N)C(=O)O DB03252 [1,1,0,0,0,0|1,0,0]=3 22 B9R0.47 N[C@@H](CCCC=O)C(=O)O DB02571 [1,1,0,0,0,0|1,0,1]=4 23 B9R0.47 N[C@@H](CCCCO)C(=O)O DB03412 [1,1,0,0,0,0|1,0,0]=3 24 B9R0.47 N[C@@H](CSCCO)C(=O)O DB02413 [1,1,0,0,0,0|2,0,0]=4 25 B9R0.47 [C@@H](N)(CCCCO)C(=O)O DB02233 [1,1,0,0,0,0|1,0,0]=3 26 B11R0.141 [C@H](N)(CSC(=O)CCC)C(=O)O DB02160 [0,2,0,0,0,0|1,0,1]=4 27 B11R0.40 CCCCCCCCC(=O)OC DB01631 [0,2,0,0,0,0|0,0,0]=2 28 B11R0.42 NCCCCCC[C@H](N)C(=O)O DB04486 [0,2,0,0,0,0|0,0,0]=2 29 B11R0.111 N[C@H](CO)CCCCNC(=O)O DB02437 [0,2,0,0,0,0|1,0,0]=3 30 B11R0.148 CCCCCCCCCC(=O)O DB03600 [0,2,0,0,0,0|0,0,0]=2 31 B11R0.148 CCCCCCCCCC(C)=O DB08688 [0,2,0,0,0,0|1,0,0]=3 32 B11R0.176 [C@H](S)(CCS)CCCCC(=O)O DB03760 [0,2,0,0,0,0|0,0,0]=2 33 B11R0.176 [C@H](S)(CCS)CCCCC(N)=O DB08120 [0,2,0,0,0,0|1,0,0]=3 34 B11R0.165 CCCCCC(=O)CP(=O)(O)O DB07912 [0,2,0,0,0,0|1,0,1]=4 35 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O DB03134 [0,2,0,0,0,0|1,0,1]=4 36 B11R0.29 [C@H](N)(CCCCN(C)C)C(=O)O DB03362 [0,2,0,0,0,0|1,0,0]=3 37 B11R0.29 [C@H](N)(CCCNC(C)=N)C(=O)O DB03305 [0,2,0,0,0,0|1,0,1]=4 38 B11R0.219 CCCCS(=O)(=O)CCC(=O)O DB07387 [0,2,0,0,0,0|1,0,0]=3 39 B9R1.8 O=CNC1CCCCC1 DB03559 [1,0,0,1,0,0|1,0,0]=3 40 B11R1.91 O=C(O)CCC1CCCCC1 DB02242 [0,1,0,1,0,0|0,0,0]=2 41 B11R1.40 N[C@H](CO)CC1CCCCC1 DB04387 [0,1,0,1,0,0|1,0,1]=4 42 B11R1.178 [C@@H]1(C(=O)O)CCCN1C(C)=O DB03360 [0,1,0,1,0,0|1,0,1]=4 43 B11R2.432 CN1[C@H]2CC[C@@H]1CC(=O)C2 DB01874 [0,0,0,2,0,0|2,0,0]=4