smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncnc2c1[nH]c(=NN=C1C(=O)[N-]C(=O)NC1=O)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000008636786	557797795	/nfs/dbraw/zinc/79/77/95/557797795.db2.gz	PQGFECBOKPFDPT-UOCWYQSESA-N	-1	0	421.330	-3.846	50	30		HAEARM
C/C(Cl)=C\Cn1c(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000009158405	571232133	/nfs/dbraw/zinc/23/21/33/571232133.db2.gz	JZESAVGXTSIWCB-GQCTYLIASA-N	-1	0	422.789	-1.290	50	30		HAEARM
Cn1c2nc(N=Nc3c([O-])[nH]c(=O)[nH]c3=O)n(C[C@@H](O)CO)c2c(=O)n(C)c1=O	ZINC000009281154	571244628	/nfs/dbraw/zinc/24/46/28/571244628.db2.gz	RIOUBBBTMWOTLP-RXMQYKEDSA-N	-1	0	408.331	-4.079	50	30		HAEARM
Cn1c2nc(N=Nc3c([O-])n(C)c(=O)n(C)c3=O)n(C[C@H](O)CO)c2c(=O)[nH]c1=O	ZINC000009849195	571288230	/nfs/dbraw/zinc/28/82/30/571288230.db2.gz	BUETWLAULDWTCN-LURJTMIESA-N	-1	0	422.358	-3.405	50	30		HAEARM
Cn1c2nc(N=Nc3c([O-])n(C)c(=O)n(C)c3=O)n(C[C@@H](O)CO)c2c(=O)[nH]c1=O	ZINC000009849196	571288191	/nfs/dbraw/zinc/28/81/91/571288191.db2.gz	BUETWLAULDWTCN-ZCFIWIBFSA-N	-1	0	422.358	-3.405	50	30		HAEARM
Cn1c(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C	ZINC000009849208	571288201	/nfs/dbraw/zinc/28/82/01/571288201.db2.gz	UQNUSRJNYCGFMR-UHFFFAOYSA-N	-1	0	424.377	-1.384	50	30		HAEARM
C[C@H](O)Cn1c(N=Nc2c([O-])n(C)c(=O)n(C)c2=O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000010272087	557260563	/nfs/dbraw/zinc/26/05/63/557260563.db2.gz	SXXHKTUAGOSGJP-ZETCQYMHSA-N	-1	0	420.386	-2.367	50	30		HAEARM
C[C@@H](O)Cn1c(N=Nc2c([O-])n(C)c(=O)n(C)c2=O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000010272088	557260439	/nfs/dbraw/zinc/26/04/39/557260439.db2.gz	SXXHKTUAGOSGJP-SSDOTTSWSA-N	-1	0	420.386	-2.367	50	30		HAEARM
Cn1c2nc(N=Nc3c([O-])[nH]c(=O)[nH]c3=O)n(C[C@H](O)CO)c2c(=O)n(C)c1=O	ZINC000017206021	558825667	/nfs/dbraw/zinc/82/56/67/558825667.db2.gz	RIOUBBBTMWOTLP-YFKPBYRVSA-N	-1	0	408.331	-3.239	50	30		HAEARM
COc1cc2c(C#N)c(N3CCN(c4n[nH]c(=O)[n-]c4=O)CC3)nc(N)c2c(N)n1	ZINC000025425925	132486464	/nfs/dbraw/zinc/48/64/64/132486464.db2.gz	CAKXMWQLGZJQPW-UHFFFAOYSA-N	-1	0	410.398	-1.227	50	30		HAEARM