0  B17R2.298677  NC1=NC(=O)c2ncn(COCCO)c2N1 Amb19871494 [0,0,0,0,0,0|0,0,0]=0
1  B17R2.298677  NC1=Nc2c(ncn2COCCO)C(=O)N1 Amb19748221 [0,0,0,0,0,0|0,0,2]=2
2  B17R2.298677  NC1=Nc2c(ncn2COCC[O-])C(=O)N1 Amb19958030 [0,0,0,0,0,0|0,0,3]=3
3  B17R2.298677  Nc1nc([O-])c2ncn(COCCO)c2n1 Amb15691455 [0,0,0,0,0,0|0,0,2]=2
4  B16R2.30455  NCCCn1cnc2c(N)nc(N)nc21 Amb32685451 [1,0,0,0,0,0|2,0,1]=4
5  B16R2.30455  NCCCn1cnc2c(N)nc(N)nc21 Amb32686551 [1,0,0,0,0,0|2,0,1]=4
6  B16R2.205493  Nc1ncc2ncn(COCCO)c2n1 Amb24080640 [1,0,0,0,0,0|0,0,1]=2
7  B15R2.5  OCCOCn1cnc2ccccc21 Amb24069982 [2,0,0,0,0,0|2,0,0]=4
8  B15R2.65  Nc1ncnc2c1ncn2CCCO Amb33539287 [2,0,0,0,0,0|1,0,1]=4
9  B15R2.65  OCCCn1cnc2c(Cl)ncnc21 Amb24511245 [2,0,0,0,0,0|1,0,1]=4
10  B15R2.65  OCCCn1cnc2c(O)ncnc21 Amb28294239 [2,0,0,0,0,0|0,0,2]=4
11  B15R2.10368  CCCn1cnc2c(S)nc(N)nc21 Amb28133434 [2,0,0,0,0,0|0,1,1]=4
12  B15R2.10368  CCCn1cnc2c1N=C(N)NC2=O Amb27955857 [2,0,0,0,0,0|0,0,2]=4
13  B15R2.10368  CCCn1cnc2c1NC(=O)NC2=O Amb27397550 [2,0,0,0,0,0|1,0,1]=4
14  B15R2.10368  COCn1cnc2c(O)nc(N)nc21 Amb27967097 [2,0,0,0,0,0|0,0,2]=4
15  B15R2.10368  N=C1N=C(N)Nc2c1ncn2CCO Amb32757491 [2,0,0,0,0,0|1,0,0]=3
16  B15R2.10368  NC1=NC(=O)c2ncn(CCO)c2N1 Amb25775560 [2,0,0,0,0,0|0,0,0]=2
17  B15R2.10368  Nc1nc(N)c2ncn(CCO)c2n1 Amb31156079 [2,0,0,0,0,0|1,0,1]=4
18  B19R2.988765  NC1=NC(=O)c2ncn(CCC(CO)CO)c2N1 Amb22166859 [0,2,0,0,0,0|1,0,0]=3
19  B19R2.988765  NC1=NC(=O)c2ncn(COC(CO)CO)c2N1 Amb19372802 [0,2,0,0,0,0|0,0,0]=2
20  B19R2.988765  NC1=Nc2c(ncn2COC(CO)CO)C(=O)N1 Amb19132435 [0,2,0,0,0,0|0,0,2]=4
21  B19R2.988765  Nc1nc([O-])c2ncn(COC(CO)CO)c2n1 Amb15691448 [0,2,0,0,0,0|0,0,2]=4