0 B9R0.2 CC(=O)NCCCCCN M19992 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 CCCCCCCC(=O)O M19558 [0,0,0,0,0,0|1,0,1]=2 2 B9R0.2 CCCCCNCC(N)=O M28420 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.2 CCCCC\C=C\C(=O)O M20010 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.4 NCCCCCCCN M21554 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.4 NCCCNCCCN M19708 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.7 CCCCCCC(=O)O M19552 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.7 NCCCCCC(=O)O M15254 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.4 CCCCCCCCC(=O)O M19549 [0,1,0,0,0,0|1,0,1]=3 9 B10R0.4 NCCCCCCCC(=O)O M21406 [0,1,0,0,0,0|1,0,1]=3 10 B10R0.6 CCCCCC(O)CC(=O)O M28858 [0,1,0,0,0,0|1,0,1]=3 11 B10R0.74 CCCCCCCC(=O)OC M29391 [0,1,0,0,0,0|0,0,2]=3 12 B10R0.75 CCCCCCC(N)C(=O)O M28713 [0,1,0,0,0,0|1,0,1]=3 13 B10R0.75 CCCCCCC(O)C(=O)O M20871 [0,1,0,0,0,0|1,0,1]=3 14 B10R0.78 CCCCC(C)CCC(=O)O M21362 [0,1,0,0,0,0|1,0,1]=3 15 B7R0.1 CCCSSCCC M24629 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.4 CCCCCC(=O)O M19562 [2,0,0,0,0,0|1,0,1]=4 17 B7R0.4 CCCCCC(C)N M10956 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.4 CCCCCC(C)O M28052 [2,0,0,0,0,0|0,0,0]=2 19 B9R0.45 NCCCCNCCCN M19710 [1,1,0,0,0,0|2,0,0]=4 20 B9R0.45 NCCCCNCCCN M19880 [1,1,0,0,0,0|2,0,0]=4 21 B9R0.45 [N-]=[N+]=NCCCCCCO M28206 [1,1,0,0,0,0|2,0,0]=4 22 B9R0.47 CCCCCC(C)C(=O)O M21372 [1,1,0,0,0,0|1,0,1]=4 23 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(=O)O M15290 [0,2,0,0,0,0|1,0,1]=4 24 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(=O)O M15291 [0,2,0,0,0,0|1,0,1]=4 25 B11R0.6 C[C@@H](O)CCOC(=O)C[C@@H](C)O M23379 [0,2,0,0,0,0|1,0,1]=4 26 B11R0.148 CCCCCCCCCC(=O)O M18432 [0,2,0,0,0,0|1,0,1]=4 27 B11R0.148 CCCCCCCCCC(C)=O M21330 [0,2,0,0,0,0|0,0,2]=4 28 B11R0.148 CCCCCCCCCC(C)O M27522 [0,2,0,0,0,0|0,0,0]=2 29 B11R0.148 CCCCCCCCOC(C)=O M20318 [0,2,0,0,0,0|0,0,2]=4 30 B11R0.148 CCCCCCC\C=C/C(=O)O M29617 [0,2,0,0,0,0|1,0,1]=4 31 B11R0.148 CCCCCCC\C=C\C(=O)O M20740 [0,2,0,0,0,0|1,0,1]=4 32 B11R0.176 O=C(O)CCCCC(S)CCS M27379 [0,2,0,0,0,0|1,0,1]=4 33 B11R0.4 CCCCCCCC(=O)OCC M23268 [0,2,0,0,0,0|0,0,2]=4 34 B11R0.164 CCCCC(CC)CCC(=O)O M20854 [0,2,0,0,0,0|1,0,1]=4 35 B9R1.8 CCCC1CCCCN1 M23697 [1,0,0,1,0,0|1,0,0]=3 36 B9R1.8 OCCN1CCSCC1 M28627 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.6 O=C(O)C1CCCCC1 M20308 [1,0,0,1,0,0|1,0,1]=4 38 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O M21234 [0,1,0,1,0,0|2,0,0]=4 39 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O M16458 [0,1,0,1,0,0|2,0,0]=4 40 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1O M23663 [0,1,0,1,0,0|2,0,0]=4 41 B11R1.166 CC1CCC(C(C)C)C(O)C1 M20400 [0,1,0,1,0,0|2,0,0]=4 42 B11R1.166 CC1CCC(C(C)C)[C@H](O)C1 M13534 [0,1,0,1,0,0|2,0,0]=4 43 B11R1.27 CCCCCC1CCC(=O)O1 M23254 [0,1,0,1,0,0|1,0,1]=4 44 B11R2.432 CN1[C@H]2CC[C@@H]1CC(O)C2 M23516 [0,0,0,2,0,0|1,0,0]=3 45 B11R2.432 CN1[C@H]2CC[C@@H]1C[C@H](O)C2 M20240 [0,0,0,2,0,0|1,0,0]=3