smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1O	ZINC000121058177	524139803	/nfs/dbraw/zinc/13/98/03/524139803.db2.gz	PNQHCYTUYXCEIU-GOSISDBHSA-N	0	2	363.502	1.628	10	10		FDCELN
CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(F)ccc3O)CC2)C1	ZINC000180101625	672169634	/nfs/dbraw/zinc/16/96/34/672169634.db2.gz	WBRUDNURRYFYQA-GOSISDBHSA-N	0	2	351.466	1.758	10	10		FDCELN
COc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1O	ZINC000121058339	524140108	/nfs/dbraw/zinc/14/01/08/524140108.db2.gz	PNQHCYTUYXCEIU-SFHVURJKSA-N	0	2	363.502	1.628	10	10		FDCELN
CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(F)ccc3O)CC2)C1	ZINC000180101648	672169736	/nfs/dbraw/zinc/16/97/36/672169736.db2.gz	WBRUDNURRYFYQA-SFHVURJKSA-N	0	2	351.466	1.758	10	10		FDCELN
CN(C)c1ncc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cn1	ZINC000001439795	132382033	/nfs/dbraw/zinc/38/20/33/132382033.db2.gz	AFHASZBUXGWVME-AWNIVKPZSA-N	0	2	355.329	1.348	10	10		FDCELN