smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[n+]1cc2cc3c(cc2c2cc([O-])ccc21)OCO3	ZINC000095584723	185013370	/nfs/dbraw/zinc/01/33/70/185013370.db2.gz	IRNGFYIJLBWPBA-UHFFFAOYSA-O	0	1	254.265	2.252	1	5		CEBFMN
NC(=[NH2+])c1ccc2nc(-c3cc([N+](=O)[O-])ccc3[O-])[nH]c2c1	ZINC000013863686	170605662	/nfs/dbraw/zinc/60/56/62/170605662.db2.gz	XDLJIVLILSOHRM-UHFFFAOYSA-N	0	1	297.274	2.128	1	5		CEBFMN
COC(=O)c1cc(O)cc2oc3cccc(O)c3c(=O)c21	ZINC000071317650	176122251	/nfs/dbraw/zinc/12/22/51/176122251.db2.gz	YBQTVIMCHXORHO-UHFFFAOYSA-N	0	1	286.239	2.144	1	5		CEBFMN
Nc1nc2cc3[nH]c4ccccc4c(=O)c3cc2[nH]1	ZINC000005939810	170159336	/nfs/dbraw/zinc/15/93/36/170159336.db2.gz	VMHSQXUSMZTPTD-UHFFFAOYSA-N	0	1	250.261	2.140	1	5		CEBFMN
COc1cc2c(=O)c3c(O)cccc3oc2c(OC)c1O	ZINC000014764565	290843354	/nfs/dbraw/zinc/84/33/54/290843354.db2.gz	JNEXYTCBXFBLEK-UHFFFAOYSA-N	0	1	288.255	2.375	1	5	biogenic,in-vitro	CEBFMN
COc1cccc2cc3c(=O)[nH]c(=S)nc-3[nH]c21	ZINC000103201637	185816209	/nfs/dbraw/zinc/81/62/09/185816209.db2.gz	NMHITHHZPSYIQM-UHFFFAOYSA-N	0	1	259.290	2.142	1	5		CEBFMN