smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@@H](C)C1=C([O-])C(=O)C2=C(C1=O)[C@H](O)[C@@H](O)[C@H]1C(C)(C)CCC[C@]21C	ZINC000100058609	559129293	/nfs/dbraw/zinc/12/92/93/559129293.db2.gz	LWRDWSSDMZOMRX-YBPJVWTPSA-N	-1	1	406.475	2.014	10	30	biogenic	HEEEMM
COc1nc(C)nc(NC([O-])=NS(=O)(=O)c2c(Cl)ccc3cccnc32)n1	ZINC000039386964	524968051	/nfs/dbraw/zinc/96/80/51/524968051.db2.gz	XPCAUXVQNLZEEB-UHFFFAOYSA-N	-1	1	408.827	2.105	10	30		HEEEMM
COc1nc(C)nc(NC(=O)[N-]S(=O)(=O)c2c(Cl)ccc3cccnc32)n1	ZINC000039386964	524968067	/nfs/dbraw/zinc/96/80/67/524968067.db2.gz	XPCAUXVQNLZEEB-UHFFFAOYSA-N	-1	1	408.827	2.105	10	30		HEEEMM
COc1cc(OC)nc(NC([O-])=NS(=O)(=O)c2c(Cl)ccc3cccnc32)n1	ZINC000039386961	522890092	/nfs/dbraw/zinc/89/00/92/522890092.db2.gz	BIDRGVYEPQFHLQ-UHFFFAOYSA-N	-1	1	423.838	2.410	10	30		HEEEMM
COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2c(Cl)ccc3cccnc32)n1	ZINC000039386961	522890104	/nfs/dbraw/zinc/89/01/04/522890104.db2.gz	BIDRGVYEPQFHLQ-UHFFFAOYSA-N	-1	1	423.838	2.410	10	30		HEEEMM
CC(=O)OC[C@H](C)C1=C([O-])C(=O)C2=C(C1=O)[C@H](O)[C@@H](O)[C@H]1C(C)(C)CCC[C@]21C	ZINC000095913327	560056822	/nfs/dbraw/zinc/05/68/22/560056822.db2.gz	LWRDWSSDMZOMRX-QXOXAKRMSA-N	-1	1	406.475	2.014	10	30	biogenic,in-vitro	HEEEMM