smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2[N-]C1=S	ZINC000029125432	202181808	/nfs/dbraw/zinc/18/18/08/202181808.db2.gz	RAULBGNGEPBWOW-VIFPVBQESA-N	-1	3	345.811	4.448	1	5		EIBFHM
CC1(C)CCc2cc3c(=O)c4cc(Cl)ccc4oc3c([O-])c2O1	ZINC000096927745	203901923	/nfs/dbraw/zinc/90/19/23/203901923.db2.gz	DDUWZQMDYIOMAA-UHFFFAOYSA-N	-1	3	330.767	4.409	1	5		EIBFHM
C[C@@H]1N[C@H](c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2[N-]C1=S	ZINC000029125389	202181665	/nfs/dbraw/zinc/18/16/65/202181665.db2.gz	GIJVFXLLTGATJD-BJOHPYRUSA-N	-1	3	347.827	4.069	1	5		EIBFHM
C[C@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2[N-]C1=S	ZINC000029125433	202181978	/nfs/dbraw/zinc/18/19/78/202181978.db2.gz	RAULBGNGEPBWOW-SECBINFHSA-N	-1	3	345.811	4.448	1	5		EIBFHM
COc1c(CC=C(C)C)cc2c([O-])c3c(=O)cccc-3oc2c1OC	ZINC000014819781	291007743	/nfs/dbraw/zinc/00/77/43/291007743.db2.gz	IWAHPMCGADAHBK-UHFFFAOYSA-N	-1	3	340.375	4.178	1	5	biogenic,in-vitro	EIBFHM
COc1c(CC=C(C)C)cc2c(=O)c3c([O-])cccc3oc2c1OC	ZINC000014819781	291007744	/nfs/dbraw/zinc/00/77/44/291007744.db2.gz	IWAHPMCGADAHBK-UHFFFAOYSA-N	-1	3	340.375	4.178	1	5	biogenic,in-vitro	EIBFHM
COc1cc([O-])c2c(cc(C)c3c4c(c(=O)oc23)C=CC(C)(C)O4)c1	ZINC000014883261	291007940	/nfs/dbraw/zinc/00/79/40/291007940.db2.gz	OGTVKOGEJPVHQE-UHFFFAOYSA-N	-1	3	338.359	4.153	1	5	biogenic,in-vitro	EIBFHM