smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#C[C@H](CO)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000718157705	977959974	/nfs/dbraw/zinc/95/99/74/977959974.db2.gz	ZWBGDYMIBURQOI-ZCFIWIBFSA-N	-2	3	305.258	-0.065	10	30		DBEEHL
O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC#CCO)c1F	ZINC000717505613	977902228	/nfs/dbraw/zinc/90/22/28/977902228.db2.gz	SHAVDARXWUSROJ-UHFFFAOYSA-N	-2	3	305.258	-0.063	10	30		DBEEHL
C#C[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000718157704	977960097	/nfs/dbraw/zinc/96/00/97/977960097.db2.gz	ZWBGDYMIBURQOI-LURJTMIESA-N	-2	3	305.258	-0.065	10	30		DBEEHL
CC#CC[C@@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000717777003	977917556	/nfs/dbraw/zinc/91/75/56/977917556.db2.gz	WCRQZXCCYGOHGY-ZETCQYMHSA-N	-2	3	304.349	-0.106	10	30		DBEEHL
NC(=O)c1cncc(C(=O)N(O)CCCP(=O)([O-])[O-])c1	ZINC000096273654	375284455	/nfs/dbraw/zinc/28/44/55/375284455.db2.gz	GCOMLAHZHFPXKE-UHFFFAOYSA-N	-2	3	303.211	-0.420	10	30		DBEEHL
C#CCC[C@H](O)C[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000717920763	977925337	/nfs/dbraw/zinc/92/53/37/977925337.db2.gz	QTHBDSSGIBSBCF-ZETCQYMHSA-N	-2	3	304.349	-0.106	10	30		DBEEHL
CC#CC[C@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000717777000	977917513	/nfs/dbraw/zinc/91/75/13/977917513.db2.gz	WCRQZXCCYGOHGY-SSDOTTSWSA-N	-2	3	304.349	-0.106	10	30		DBEEHL
C#CCC[C@@H](O)C[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000717920762	977925862	/nfs/dbraw/zinc/92/58/62/977925862.db2.gz	QTHBDSSGIBSBCF-SSDOTTSWSA-N	-2	3	304.349	-0.106	10	30		DBEEHL