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)=CC[C@@H](C)C1C(=O)C(=O)c2c(O)ccc(O)c2C1=O	ZINC000033833713	560087941	/nfs/dbraw/zinc/08/79/41/560087941.db2.gz	PHTGVPBJVHRZJY-SECBINFHSA-N	0	2	302.326	3.281	1	30	biogenic,in-vitro	DGEFLN
O=C(C=Cc1ccc(O)c(O)c1)C=C(O)C=Cc1ccc(O)cc1	ZINC000049033161	560083934	/nfs/dbraw/zinc/08/39/34/560083934.db2.gz	YZCBFQDXCIWDOS-BQYBEJQRSA-N	0	2	324.332	3.058	1	30	biogenic,in-vitro	DGEFLN
O=C(C=Cc1ccc(O)cc1)C=C(O)C=Cc1ccc(O)c(O)c1	ZINC000049033161	560083935	/nfs/dbraw/zinc/08/39/35/560083935.db2.gz	YZCBFQDXCIWDOS-BQYBEJQRSA-N	0	2	324.332	3.058	1	30	biogenic,in-vitro	DGEFLN
N#Cc1c(=O)[nH]c(OCc2ccccc2Cl)c2c1CCCC2	ZINC000073168278	191288240	/nfs/dbraw/zinc/28/82/40/191288240.db2.gz	BSXRDUGIALKIDA-UHFFFAOYSA-N	0	2	314.772	3.358	1	30		DGEFLN
CCCCCC/C(Cn1cc[nH+]c1)=N/OCCCCC(=O)[O-]	ZINC000013738887	181887422	/nfs/dbraw/zinc/88/74/22/181887422.db2.gz	OJEWBVIQOKRDGN-SDXDJHTJSA-N	0	2	309.410	3.481	1	30		DGEFLN