smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1O	ZINC000006483599	440994729	/nfs/dbraw/zinc/99/47/29/440994729.db2.gz	CFYMYCCYMJIYAB-UHFFFAOYSA-N	0	2	332.264	1.997	10	10	in-vitro	EDCELN
CN(C)c1ccc(CNC(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)cc1	ZINC000195505819	443025701	/nfs/dbraw/zinc/02/57/01/443025701.db2.gz	BFTOJHLDIODGNM-UHFFFAOYSA-N	0	2	341.459	1.972	10	10		EDCELN
COc1c(=O)c2c(O)cc(O)cc2oc1-c1cc(O)c(O)c(O)c1	ZINC000014647251	560223799	/nfs/dbraw/zinc/22/37/99/560223799.db2.gz	XWTLYULBWZQAAZ-UHFFFAOYSA-N	0	2	332.264	1.997	10	10	biogenic,in-vitro	EDCELN
Cc1ccccc1N1C(=O)NC(=O)C(=CN[C@@H]2NC=CS2)C1=O	ZINC000100103997	219091735	/nfs/dbraw/zinc/09/17/35/219091735.db2.gz	VJSRECGPQIYZJG-GDAGCXPBSA-N	0	2	330.369	1.143	10	10		EDCELN
COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3ccco3)C2=O)c1	ZINC000005907114	440973141	/nfs/dbraw/zinc/97/31/41/440973141.db2.gz	TXXVFQBQMFDVHP-WQLSENKSSA-N	0	2	342.307	1.963	10	10		EDCELN
COCCCNC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000198841638	710699916	/nfs/dbraw/zinc/69/99/16/710699916.db2.gz	MJMNZBVGXLJRPA-FMIVXFBMSA-N	0	2	337.763	1.433	10	10		EDCELN