0  B18R1.104293  CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)N MCULE-1240326188 [0,0,0,0,0,0|1,0,0]=1
1  B18R1.104293  CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O MCULE-4563546953 [0,0,0,0,0,0|0,0,0]=0
2  B19R1.546614  CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)NO MCULE-7761664289 [0,1,0,0,0,0|0,0,0]=1
3  B19R1.546614  COC(=O)C(C)(C)CCCOC1=CC(=CC=C1C)C MCULE-5260462886 [0,1,0,0,0,0|0,0,0]=1
4  B16R1.7472  CC(=O)CCCCOC1=CC(=CC=C1C)C MCULE-8662712529 [2,0,0,0,0,0|1,0,0]=3
5  B16R1.7472  CC(=O)CCCCOC1=CC(=CC=C1F)C MCULE-3973791420 [2,0,0,0,0,0|2,0,0]=4
6  B16R1.7472  CC1=CC(=C(C=C1)C)OCCCCC(=O)O MCULE-1344048622 [2,0,0,0,0,0|0,0,0]=2
7  B16R1.7473  CC1=CC(=C(C=C1)C)OCCNC(C)(C)C MCULE-4455423947 [2,0,0,0,0,0|1,0,1]=4
8  B16R1.8807  CC(C)(COCC1=CC=CC=C1Cl)C(=O)O MCULE-8625825058 [1,0,0,0,1,0|2,0,0]=4
9  B16R1.8807  CC(C)(COCC1=CC=CC=C1F)C(=O)O MCULE-3464683142 [1,0,0,0,1,0|2,0,0]=4
10  B16R1.54928  CC(C)(COC1=CC(=CC=C1Cl)Br)C(=O)O MCULE-9267698993 [0,0,0,0,2,0|2,0,0]=4