0  B31R3.2352828497  COC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3)C(=C2)C(=O)NCCCC(=O)O)OC MCULE-1870423716 [0,0,0,0,0,0|0,0,0]=0
1  B32R4.1040731273  COC1=C(C=C(C=C1)C2=CC(=C3C=CC=CC3=N2)C(=O)N4CCCC(C4)C)OC MCULE-6918356950 [0,0,0,1,0,0|2,0,1]=4
2  B32R4.1040731273  COC1=CC=C(C=C1OC)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCNC(=O)C4 MCULE-6452399164 [0,0,0,1,0,0|2,0,0]=3
3  B30R3.2800526947  COC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3)C(=C2)C(=O)NCCC(=O)O)OC MCULE-2397913278 [0,0,0,0,1,0|0,0,0]=1
4  B29R3.50978235  COC1=CC=C(C=C1)C2=NC3=C(C=CC=C3)C(=C2)C(=O)NCCCC(=O)O MCULE-9777106501 [2,0,0,0,0,0|0,0,0]=2
5  B29R3.1257171650  CCCCNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC(=C(C=C3)OC)OC MCULE-6168734326 [2,0,0,0,0,0|0,0,1]=3
6  B29R3.1257171650  COCCNC(=O)C1=CC(=NC2=C1C=CC=C2)C3=CC=C(C(=C3)OC)OC MCULE-3024071294 [2,0,0,0,0,0|1,0,1]=4
7  B29R3.1363447932  COC1=CC=CC(=C1)C2=NC3=C(C=CC=C3)C(=C2)C(=O)NCCCC(=O)O MCULE-1774179604 [2,0,0,0,0,0|0,0,0]=2
8  B33R3.1559168387  COC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3)C(=C2)C(=O)NCC(=O)NCC(=O)O)OC MCULE-9022138384 [0,1,0,0,0,1|0,0,1]=3
9  B31R4.138986158  COC1=C(C=C(C=C1)C2=CC(=C3C=CC=CC3=N2)C(=O)NC4CCCC4)OC MCULE-4076885638 [1,0,0,1,0,0|1,0,1]=4
10  B31R4.146737251  CCCCCNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=C4OCCOC4=C3 MCULE-6351626774 [1,0,0,1,0,0|1,0,1]=4
11  B29R3.1299821788  COC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3)C(=C2)C(=O)NCC(=O)O)OC MCULE-8351121501 [0,0,0,0,2,0|0,0,0]=2