smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)cc1	ZINC000043860829	563171197	/nfs/dbraw/zinc/17/11/97/563171197.db2.gz	CHFUTIAFIZJHAE-UHFFFAOYSA-N	1	1	465.982	3.749	1	70		JHIFMO
O=C(/C=C/c1ccccc1)NCCCC[N@@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784700	563162694	/nfs/dbraw/zinc/16/26/94/563162694.db2.gz	QZPFGFWFHKJBJX-DHZHZOJOSA-N	1	1	482.524	3.883	1	70		JHIFMO
COc1ccc(-c2cc3c(cc2[C@@H]2CC[N@@H+](C)C[C@@H]2C)N2C(=NNC(=O)[C@H]2C)CO3)c(F)c1	ZINC000217651053	405416950	/nfs/dbraw/zinc/41/69/50/405416950.db2.gz	BYDKAYRDAFQMFD-ZMSDIMECSA-N	1	1	452.530	3.587	1	70		JHIFMO
C[NH+]1CCN(C2=Nc3ccccc3Sc3ccc(OS(=O)(=O)C(F)(F)F)cc32)CC1	ZINC000014299683	563005817	/nfs/dbraw/zinc/00/58/17/563005817.db2.gz	PZIGTEKDSRHYIT-UHFFFAOYSA-N	1	1	457.499	3.705	1	70		JHIFMO
O=C(/C=C\c1ccccc1)NCCCC[N@@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784684	563162734	/nfs/dbraw/zinc/16/27/34/563162734.db2.gz	QZPFGFWFHKJBJX-FLIBITNWSA-N	1	1	482.524	3.883	1	70		JHIFMO
CCC[N@H+]1CCC[C@@H](c2ccc(OS(=O)(=O)C(F)(F)F)c(OS(=O)(=O)C(F)(F)F)c2)C1	ZINC000036216535	563124380	/nfs/dbraw/zinc/12/43/80/563124380.db2.gz	DDEDFIYGQWYHBZ-GFCCVEGCSA-N	1	1	499.451	3.733	1	70		JHIFMO