smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN1C(=O)/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S	ZINC000033437461	523787063	/nfs/dbraw/zinc/78/70/63/523787063.db2.gz	RSQLAEAEVKRXMF-WYMLVPIESA-N	0	0	450.542	0.963	10	10		JCCERN
CNC(=O)NC(=O)Cn1c(=O)/c(=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)s/c1=C\C(=O)C(C)(C)C	ZINC000033450214	524077704	/nfs/dbraw/zinc/07/77/04/524077704.db2.gz	HLTJJEKRIOVMQD-UBPKGZPWSA-N	0	0	489.554	0.564	10	10		JCCERN
CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O	ZINC000035636346	569705729	/nfs/dbraw/zinc/70/57/29/569705729.db2.gz	VJZITPJGSQKZMX-JKTZVLKLSA-N	0	0	483.473	0.632	10	10	in-vitro	JCCERN
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)NC(CO)(CO)CO)cc1	ZINC000095471059	569723291	/nfs/dbraw/zinc/72/32/91/569723291.db2.gz	XJGFHTYYKPEBBI-RGVLZGJSSA-N	0	0	474.539	0.708	10	10		JCCERN