0 B7R0.4 CC(=O)NCCC=O C18170 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.4 CC(C)CCOC=O C12293 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.4 CC(C)CCON=O C07457 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 O=CCCCC(=O)O C03273 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 C(=N/OC)C(C)C C03982 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.4 CC(C)CCC=O C02373 [1,0,0,0,0,0|0,0,2]=3 6 B6R0.4 O=CCCC(=O)O C00232 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.6 CCCCOC=O C21713 [1,0,0,0,0,0|0,0,2]=3 8 B6R0.6 CC\C=C/CC=O C16310 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.6 CNCCCC=O C10974 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.6 C\C=C\C=C\C=O C19249 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.6 O=CCCCC=O C12518 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.7 CC(=O)NCCCC=O C05936 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.8 O=CCCC(=O)C(=O)O C00433 [0,1,0,0,0,0|3,0,0]=4 14 B8R0.21 C[N+](C)(C)CCCC=O C01149 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.28 CC(=O)CCC=C(C)C C07287 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.28 CC(=O)CCCC(=O)O C02129 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.28 CC(=O)NCCC(=O)O C01073 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.28 CC(=O)OCCC(C)C C12296 [0,1,0,0,0,0|0,0,2]=3 19 B8R0.28 CC(=O)OC\N=[N+](\C)[O-] C19258 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.28 CC(C)=CCCC(C)O C07288 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.28 CC(C)=CCNC(=N)N C08303 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.1 CC1=CC=C(C=O)O1 C11115 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.4 O=C1CCCC(=O)C1 C01066 [0,0,0,1,0,0|2,0,1]=4 24 B5R0.1 C=COC(C)=O C19309 [2,0,0,0,0,0|2,0,0]=4 25 B5R0.1 C=COC(C)=O C19546 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.1 CC(C)=CC=O C07330 [2,0,0,0,0,0|0,0,0]=2 27 B5R0.1 CC(C)=CCO C01390 [2,0,0,0,0,0|0,0,0]=2 28 B5R0.1 CC(C)CC=O C07329 [2,0,0,0,0,0|0,0,1]=3 29 B5R0.1 CC(C)CCO C07328 [2,0,0,0,0,0|0,0,2]=4 30 B5R0.1 CC(C)\C=N/O C20315 [2,0,0,0,0,0|1,0,1]=4 31 B5R0.1 CC(C)\C=N\O C03219 [2,0,0,0,0,0|1,0,1]=4 32 B5R0.1 O=CCC(=O)O C00222 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.2 O=CCCC=O C16835 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.5 O=CCC(=O)C(=O)O C02150 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.6 CC(=O)\C=C/C(=O)O C07091 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.6 CC(C)CCC(=O)O C21399 [1,1,0,0,0,0|0,0,2]=4 37 B7R0.6 C[S+](C)CCC(=O)[O-] C04022 [1,1,0,0,0,0|1,0,1]=4 38 B9R0.1 C=CC(=C)CCC=C(C)C C06074 [0,2,0,0,0,0|2,0,0]=4 39 B9R0.1 C=C\C(C)=C\CC=C(C)C C09873 [0,2,0,0,0,0|2,0,0]=4 40 B9R0.46 C\C(=C/C=C/CC=O)CO C18011 [0,2,0,0,0,0|1,0,1]=4 41 B9R0.56 CC(=O)OCC[N+](C)(C)C C01996 [0,2,0,0,0,0|1,0,1]=4 42 B9R0.56 CC(=O)OCC[N+](C)(C)C C08201 [0,2,0,0,0,0|1,0,1]=4 43 B9R0.56 CC(C)=CCOP(=O)(O)O C21214 [0,2,0,0,0,0|1,0,0]=3 44 B9R0.56 [*]C(=O)OCC[N+](C)(C)C C01777 [0,2,0,0,0,0|1,0,1]=4 45 B7R1.4 C=C1CCOC1=O C20578 [1,0,0,1,0,0|0,0,2]=4 46 B9R1.202 CCC1(C)CCOC1=O C13714 [0,1,0,1,0,0|0,0,2]=4