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)[N-]C(=O)NC2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000002344808	569275525	/nfs/dbraw/zinc/27/55/25/569275525.db2.gz	MDWKGLHSAXQIDE-SSDOTTSWSA-N	-2	3	436.385	-1.817	50	30		IAEAHL
CC(C)OC[C@@H](O)Cn1c([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000002344813	569275403	/nfs/dbraw/zinc/27/54/03/569275403.db2.gz	MDWKGLHSAXQIDE-ZETCQYMHSA-N	-2	3	436.385	-1.817	50	30		IAEAHL
Cn1c2nc([N-]N=C3C(=O)[N-]C(=O)NC3=O)n(Cc3ccc(F)cc3)c2c(=O)[nH]c1=O	ZINC000009291298	569519831	/nfs/dbraw/zinc/51/98/31/569519831.db2.gz	HRSPNKKRWSFFKU-UHFFFAOYSA-N	-2	3	428.340	-1.255	50	30		IAEAHL
Cn1c2nc([N-]N=C3C(=O)[N-]C(=O)NC3=O)n(C[C@H](O)c3ccccc3)c2c(=O)[nH]c1=O	ZINC000009292860	569520094	/nfs/dbraw/zinc/52/00/94/569520094.db2.gz	HFLMOVAHYVRTBU-VIFPVBQESA-N	-2	3	440.376	-1.709	50	30		IAEAHL
Cn1c2nc([N-]N=C3C(=O)[N-]C(=O)NC3=O)n(C[C@@H](O)c3ccccc3)c2c(=O)[nH]c1=O	ZINC000009292861	569520061	/nfs/dbraw/zinc/52/00/61/569520061.db2.gz	HFLMOVAHYVRTBU-SECBINFHSA-N	-2	3	440.376	-1.709	50	30		IAEAHL
C=CCOC[C@@H](O)Cn1c([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000009849218	569571324	/nfs/dbraw/zinc/57/13/24/569571324.db2.gz	KYPYWAQFNSZARH-ZETCQYMHSA-N	-2	3	434.369	-2.879	50	30		IAEAHL
C=CCOC[C@H](O)Cn1c([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000009849219	569571336	/nfs/dbraw/zinc/57/13/36/569571336.db2.gz	KYPYWAQFNSZARH-SSDOTTSWSA-N	-2	3	434.369	-2.879	50	30		IAEAHL
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]3[C@H](O)[C@@H]21	ZINC000253388142	568920033	/nfs/dbraw/zinc/92/00/33/568920033.db2.gz	ZOSHTZVEWUAHLQ-FRGJHHOQSA-N	-2	3	444.440	-1.131	50	30		IAEAHL
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000253388143	568920061	/nfs/dbraw/zinc/92/00/61/568920061.db2.gz	ZOSHTZVEWUAHLQ-FTMUNVGNSA-N	-2	3	444.440	-1.131	50	30		IAEAHL
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]3[C@H](O)[C@H]21	ZINC000253388144	568920008	/nfs/dbraw/zinc/92/00/08/568920008.db2.gz	ZOSHTZVEWUAHLQ-HXXZSOQJSA-N	-2	3	444.440	-1.131	50	30		IAEAHL
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000253388145	568920048	/nfs/dbraw/zinc/92/00/48/568920048.db2.gz	ZOSHTZVEWUAHLQ-ZKJJHSJMSA-N	-2	3	444.440	-1.131	50	30		IAEAHL