smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc(Cl)cc1/C=N/c1ccc([O-])c(-c2nc3ccccc3o2)c1	ZINC000000728269	206132154	/nfs/dbraw/zinc/13/21/54/206132154.db2.gz	ICWJHTPPEZCEST-SSDVNMTOSA-N	-2	3	364.788	5.310	40	30		FKEBHL
CC(C)(C)c1cc(Cl)c([O-])c(/N=C/c2c([O-])ccc3ccccc23)c1	ZINC000001496904	204011088	/nfs/dbraw/zinc/01/10/88/204011088.db2.gz	PTXKHNKHEPOSOT-FSJBWODESA-N	-2	3	353.849	5.953	40	30		FKEBHL
CCC[C@@H](C)c1ccc([O-])c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000003066556	520676146	/nfs/dbraw/zinc/67/61/46/520676146.db2.gz	XXTBYJVNEXMVPM-OHBSIKEHSA-N	-2	3	352.261	6.059	40	30		FKEBHL
CCC[C@H](C)c1ccc([O-])c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000003066558	521071166	/nfs/dbraw/zinc/07/11/66/521071166.db2.gz	XXTBYJVNEXMVPM-JYQBEENSSA-N	-2	3	352.261	6.059	40	30		FKEBHL
CCc1ccc2oc(-c3cc(/N=C/c4ccccc4[O-])ccc3[O-])nc2c1	ZINC000100502835	222244728	/nfs/dbraw/zinc/24/47/28/222244728.db2.gz	JXDPSODTBHVVLC-YDZHTSKRSA-N	-2	3	358.397	5.219	40	30		FKEBHL
CCCCCCCCS(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1[O-]	ZINC000100955089	571088487	/nfs/dbraw/zinc/08/84/87/571088487.db2.gz	ZBCZZOAFEMHDDW-UHFFFAOYSA-N	-2	3	361.507	5.161	40	30		FKEBHL