smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)OC[C@H](O)Cn1c([N-]N=C2C(=O)NC(=O)NC2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000002344808	569275524	/nfs/dbraw/zinc/27/55/24/569275524.db2.gz	MDWKGLHSAXQIDE-SSDOTTSWSA-N	-1	1	436.385	-1.817	50	30		IAEAMM
CC(C)OC[C@@H](O)Cn1c([N-]N=C2C(=O)NC(=O)NC2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000002344813	569275402	/nfs/dbraw/zinc/27/54/02/569275402.db2.gz	MDWKGLHSAXQIDE-ZETCQYMHSA-N	-1	1	436.385	-1.817	50	30		IAEAMM
Cn1c2nc([N-]N=C3C(=O)NC(=O)NC3=O)n(Cc3ccc(F)cc3)c2c(=O)[nH]c1=O	ZINC000009291298	569519830	/nfs/dbraw/zinc/51/98/30/569519830.db2.gz	HRSPNKKRWSFFKU-UHFFFAOYSA-N	-1	1	428.340	-1.255	50	30		IAEAMM
Cn1c2nc([N-]N=C3C(=O)NC(=O)NC3=O)n(C[C@H](O)c3ccccc3)c2c(=O)[nH]c1=O	ZINC000009292860	569520093	/nfs/dbraw/zinc/52/00/93/569520093.db2.gz	HFLMOVAHYVRTBU-VIFPVBQESA-N	-1	1	440.376	-1.709	50	30		IAEAMM
Cn1c2nc([N-]N=C3C(=O)NC(=O)NC3=O)n(C[C@@H](O)c3ccccc3)c2c(=O)[nH]c1=O	ZINC000009292861	569520060	/nfs/dbraw/zinc/52/00/60/569520060.db2.gz	HFLMOVAHYVRTBU-SECBINFHSA-N	-1	1	440.376	-1.709	50	30		IAEAMM
C=CCOC[C@@H](O)Cn1c([N-]N=C2C(=O)NC(=O)NC2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000009849218	569571323	/nfs/dbraw/zinc/57/13/23/569571323.db2.gz	KYPYWAQFNSZARH-ZETCQYMHSA-N	-1	1	434.369	-2.879	50	30		IAEAMM
C=CCOC[C@H](O)Cn1c([N-]N=C2C(=O)NC(=O)NC2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000009849219	569571335	/nfs/dbraw/zinc/57/13/35/569571335.db2.gz	KYPYWAQFNSZARH-SSDOTTSWSA-N	-1	1	434.369	-2.879	50	30		IAEAMM
NC(=[NH2+])NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000015721320	527124510	/nfs/dbraw/zinc/12/45/10/527124510.db2.gz	AEGSIYIIMVBZQU-CIUDSAMLSA-N	-1	1	449.490	-4.058	50	30		IAEAMM