0  B31R3.1432153258  C#CC1=CC(=CC=C1)NC2=C3C=C(C(=CC3=NC=N2)OCCOC)OCCOC MCULE-3261158068 [0,0,0,0,0,0|0,0,0]=0
1  B31R3.1432153258  C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C23)OCCOC)OCCOC MCULE-7764565391 [0,0,0,0,0,0|0,0,0]=0
2  B31R3.1432153258  C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C23)OCCOC)OCCOC MCULE-9498970160 [0,0,0,0,0,0|0,0,0]=0
3  B31R3.1432153258  C#CC1=CC=CC(=C1)NC2=NC=NC3=C2C=C(C(=C3)OCCOC)COCOC MCULE-1162401063 [0,0,0,0,0,0|2,0,0]=2
4  B31R3.1432153258  C#CC1=CC=CC(=C1)NC2=NC=NC3=C2C=C(C(=C3)OCCOC)COCOC MCULE-6330473217 [0,0,0,0,0,0|2,0,0]=2
5  B30R3.1471151549  C#CC1=CC(=CC=C1)NC2=C3C=C(C(=CC3=NC=N2)OCCOC)OCCCl MCULE-5287689522 [1,0,0,0,0,0|1,0,0]=2
6  B30R3.1471151549  C#CC1=CC(=CC=C1)NC2=C3C=C(C(=CC3=NC=N2)OCCOC)OCCCl MCULE-9612422409 [1,0,0,0,0,0|1,0,0]=2
7  B30R3.1471151549  C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C(=C3)OCCOC)OCCO MCULE-7350584633 [1,0,0,0,0,0|0,0,0]=1
8  B30R3.1471151549  C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C(=C3)OCCOC)OCCO MCULE-8718744410 [1,0,0,0,0,0|0,0,0]=1
9  B30R3.2785513836  C#CC1=CC(=CC=C1)NC2=C3C=C(C(=CC3=NC=N2)OCCCl)OCCOC MCULE-9915958805 [1,0,0,0,0,0|1,0,0]=2
10  B32R3.245964973  C#CC1=CC(=CC=C1C)NC2=C3C=C(C(=CC3=NC=N2)OCCOC)OCCOC MCULE-9250125873 [0,1,0,0,0,0|0,0,0]=1
11  B32R4.2759155  C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C23)OCCOCCOCCO4 MCULE-5400975416 [0,0,0,1,0,0|0,0,0]=1
12  B32R4.2759155  C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C23)OCCOCCOCCO4 MCULE-8928029783 [0,0,0,1,0,0|0,0,0]=1
13  B32R4.2759155  C#CC1=CC=CC(=C1)NC2=C3C=C4OCCOCCOCCOC4=CC3=NC=N2 MCULE-3779898414 [0,0,0,1,0,0|0,0,0]=1
14  B32R4.2759155  N#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C4OCCOCCOCCOC4=C3 MCULE-7550542973 [0,0,0,1,0,0|1,0,0]=2
15  B29R3.809618163  C#CC1=CC=CC(=C1)NC2=C3C=C(C(=CC3=NC=N2)OCCCl)OCCCl MCULE-3475995396 [2,0,0,0,0,0|2,0,0]=4
16  B29R3.809618163  C#CC1=CC=CC(=C1)NC2=C3C=C(C(=CC3=NC=N2)OCCCl)OCCCl MCULE-8057325066 [2,0,0,0,0,0|2,0,0]=4
17  B33R3.225008951  COCCOC1=CC2=NC=NC(=C2C=C1OCCOC)NC3=CC(=CC=C3)CC(=O)O MCULE-2766677057 [0,2,0,0,0,0|0,0,2]=4