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)(C)OC(=O)NCCN1C[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C[C@H](C1)O2	ZINC000034370873	563086164	/nfs/dbraw/zinc/08/61/64/563086164.db2.gz	JRHUUZPSMQIWBQ-SESVDKBCSA-N	1	2	446.548	1.208	10	30	in-man	IDEELO
CC(C)(C)OC(=O)NCCN1C[C@@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C[C@H](C1)O2	ZINC000034370873	563086166	/nfs/dbraw/zinc/08/61/66/563086166.db2.gz	JRHUUZPSMQIWBQ-SESVDKBCSA-N	1	2	446.548	1.208	10	30	in-man	IDEELO
CC(C)(C)C(=O)/C(C#N)=c1\s/c(=C\c2ccncc2)c(=O)n1CCC[NH+]1CCOCC1	ZINC000012622746	518550063	/nfs/dbraw/zinc/55/00/63/518550063.db2.gz	NCSMGDKOIJDDOO-PFNYNNSUSA-N	1	2	440.569	1.145	10	30		IDEELO
C=CCn1cc(C(=O)N2CC[NH+](C)CC2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21	ZINC000020240476	563024217	/nfs/dbraw/zinc/02/42/17/563024217.db2.gz	CLMPYHSZOAUPPX-UHFFFAOYSA-N	1	2	446.573	1.606	10	30		IDEELO