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)CSc1nnc(N[NH+]=Cc2ccc(N(C)C)cc2)[nH]1	ZINC000005908128	431315714	/nfs/dbraw/zinc/31/57/14/431315714.db2.gz	XSXUSNHCLRANLK-CXUHLZMHSA-N	-1	2	318.450	3.065	10	30		DGEELM
CCCCCCCCC=C1C(=O)C(=O)C2OCCOC2C1=O	ZINC000584615502	337372783	/nfs/dbraw/zinc/37/27/83/337372783.db2.gz	YIPZYCCWBVAHDU-UHFFFAOYSA-N	-1	2	308.374	3.349	10	30		DGEELM
CC(C)Sc1nnc(NN=Cc2c[nH]c3ccccc23)[nH]1	ZINC000005911254	431315613	/nfs/dbraw/zinc/31/56/13/431315613.db2.gz	QCRDYNXBBCJPHX-LZYBPNLTSA-N	-1	2	300.391	3.233	10	30		DGEELM
CC(C)Sc1nnc(N[NH+]=Cc2c[nH]c3ccccc23)[n-]1	ZINC000005911254	431315625	/nfs/dbraw/zinc/31/56/25/431315625.db2.gz	QCRDYNXBBCJPHX-LZYBPNLTSA-N	-1	2	300.391	3.233	10	30		DGEELM
COc1ccc(C2=C([O-])C(=O)C(c3ccccc3)C(=O)C2=O)cc1	ZINC000027105469	182462958	/nfs/dbraw/zinc/46/29/58/182462958.db2.gz	ARQIUFDEIJRCRU-UHFFFAOYSA-N	-1	2	322.316	3.085	10	30		DGEELM
Cc1cc(C#N)ccc1C(=O)Nc1nc(-c2ccccc2F)n[nH]1	ZINC000161333190	228251845	/nfs/dbraw/zinc/25/18/45/228251845.db2.gz	QXLJJFGFXAMQDB-UHFFFAOYSA-N	-1	2	321.315	3.043	10	30		DGEELM