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(=[NH2+])N1c1ccc(Cl)c(CCCCc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043300470	563169259	/nfs/dbraw/zinc/16/92/59/563169259.db2.gz	UNPYAIBSBRQQBR-UHFFFAOYSA-N	2	2	465.982	3.749	40	70		JHIBLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCCCc2ccccc2S(=O)(=O)F)c(Cl)c1	ZINC000043307569	563169412	/nfs/dbraw/zinc/16/94/12/563169412.db2.gz	QTRXPJLNGNXMDJ-UHFFFAOYSA-N	2	2	465.982	3.749	40	70		JHIBLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043300593	563169253	/nfs/dbraw/zinc/16/92/53/563169253.db2.gz	JDKSXAPFLFCYJH-UHFFFAOYSA-N	2	2	465.982	3.749	40	70		JHIBLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCCCc2cccc(S(=O)(=O)F)c2)c(Cl)c1	ZINC000044181853	563171865	/nfs/dbraw/zinc/17/18/65/563171865.db2.gz	XQQDBGQOOHDDFC-UHFFFAOYSA-N	2	2	465.982	3.749	40	70		JHIBLP