smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)OCCNC[C@@H](O)[C@@H](O)CNCCOS(C)(=O)=O	ZINC000044358653	205108272	/nfs/dbraw/zinc/10/82/72/205108272.db2.gz	BYZJBHCTZJGJFV-AOOOYVTPSA-N	0	3	364.442	-3.160	40	30	in-man	FAEBHN
CS(=O)(=O)OCCNC[C@@H](O)[C@H](O)CNCCOS(C)(=O)=O	ZINC000044358658	482662673	/nfs/dbraw/zinc/66/26/73/482662673.db2.gz	BYZJBHCTZJGJFV-NXEZZACHSA-N	0	3	364.442	-3.160	40	30	in-man	FAEBHN
CS(=O)(=O)OCCNC[C@H](O)[C@@H](O)CNCCOS(C)(=O)=O	ZINC000044358663	482662842	/nfs/dbraw/zinc/66/28/42/482662842.db2.gz	BYZJBHCTZJGJFV-UWVGGRQHSA-N	0	3	364.442	-3.160	40	30	in-man	FAEBHN
N#Cc1cccc(S(=O)(=O)N(CCN)[C@@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575420549	483195754	/nfs/dbraw/zinc/19/57/54/483195754.db2.gz	CABJZBKXIVAHRW-CHWSQXEVSA-N	0	3	359.429	-1.334	40	30		FAEBHN
N#Cc1cccc(S(=O)(=O)N(CCN)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575420552	483195787	/nfs/dbraw/zinc/19/57/87/483195787.db2.gz	CABJZBKXIVAHRW-OLZOCXBDSA-N	0	3	359.429	-1.334	40	30		FAEBHN
N#Cc1cccc(S(=O)(=O)N(CCN)[C@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575420553	483195339	/nfs/dbraw/zinc/19/53/39/483195339.db2.gz	CABJZBKXIVAHRW-QWHCGFSZSA-N	0	3	359.429	-1.334	40	30		FAEBHN
N#Cc1cccc(S(=O)(=O)N(CCN)[C@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575420554	483196191	/nfs/dbraw/zinc/19/61/91/483196191.db2.gz	CABJZBKXIVAHRW-STQMWFEESA-N	0	3	359.429	-1.334	40	30		FAEBHN