0  B31R4.208055570  COC1=C(C=C2C(=C1)N=C(N=C2N)N3CCN(CC3)C(=O)C4=CC=CO4)OC MCULE-7492026178 [0,0,0,0,0,0|0,0,4]=4
1  B31R4.208055570  COC1=C(C=C2C(=C1)N=C(N=C2N)N3CCN(CC3)C(=O)C4=CC=CO4)OC MCULE-8104643269 [0,0,0,0,0,0|0,0,4]=4
2  B31R4.208055570  COC1=C(C=C2C(=C1)N=C(N=C2N)N3CCN(CC3)C(=O)C4CCCO4)OC MCULE-4030111564 [0,0,0,0,0,0|0,0,0]=0
3  B31R4.208055570  COC1=C(C=C2C(=C1)N=C(N=C2N)N3CCN(CC3)C(=O)[C@@H]4CCCO4)OC MCULE-4174520149 [0,0,0,0,0,0|0,0,0]=0
4  B31R4.208055570  COC1=CC2=C(C=C1OC)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)[NH3+] MCULE-4508839187 [0,0,0,0,0,0|0,0,1]=1
5  B31R4.208055570  COC1=CC2=C(C=C1OC)C(=NC(=N2)N3CCN(CC3)C(=O)[C@@H]4CCCO4)N MCULE-8878585602 [0,0,0,0,0,0|0,0,0]=0
6  B31R4.208055570  COC1=CC2=NC(=NC(=C2C=C1OC)N)N3CCC(CC3)C(=O)N4CCCC4 MCULE-6825135435 [0,0,0,0,0,0|3,0,0]=3
7  B31R4.208055570  COC1=CC2=NC(=NC(=C2C=C1OC)N)N3CCN(CC3)C(=O)[C@H]4CCCO4 MCULE-3491562258 [0,0,0,0,0,0|0,0,0]=0
8  B31R4.208055570  COC1=CC2=NC(=NC(=C2C=C1OC)N)N3CCN(CC3)C(=O)[C@H]4CCCO4 MCULE-3757406612 [0,0,0,0,0,0|0,0,0]=0
9  B32R4.1761248911  COC1=CC2=NC(=NC(=C2C=C1OC)N)N3CCCN(CC3)C(=O)C4CCCO4 MCULE-2762209466 [0,0,0,0,0,1|0,0,0]=1
10  B29R3.1444440369  COC1=CC2=C(C=C1OC)C(=NC(=N2)N3CCN(CC3)C(=O)C(C)OC)N MCULE-2083847845 [1,0,1,0,0,0|0,0,0]=2
11  B31R4.1001303577  COC1=C(C=C2N=C(C(=CC2=C1)N)C3CCN(CC3)C(=O)C4CCCO4)OC MCULE-5517002125 [1,1,0,0,0,0|2,0,0]=4