smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+]1(C)CCO[C@@](O)(c2ccc(CCCc3ccc([C@@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	ZINC000027858208	563052066	/nfs/dbraw/zinc/05/20/66/563052066.db2.gz	QYPMLGCCGGOFEM-KAYWLYCHSA-N	2	0	456.627	2.365	1	5		JEBFRP
C[N+]1(C)CCO[C@](O)(c2ccc(CCCc3ccc([C@@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	ZINC000027858215	563052040	/nfs/dbraw/zinc/05/20/40/563052040.db2.gz	QYPMLGCCGGOFEM-MKPDMIMOSA-N	2	0	456.627	2.365	1	5		JEBFRP
C[NH+](C)CCn1c(=O)c2ccc3c4c(nn3CC[NH+]3CCCC3)-c3cc([N+](=O)[O-])ccc3-n(c1=O)c42	ZINC000027765053	563051553	/nfs/dbraw/zinc/05/15/53/563051553.db2.gz	ICKCVQRKGBQQCK-UHFFFAOYSA-N	2	0	489.536	2.048	1	5		JEBFRP
C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)CCC1=O)CCCN1C(=O)CCC1=O	ZINC000029207909	563098464	/nfs/dbraw/zinc/09/84/64/563098464.db2.gz	JDYUFXPBIIOMLI-UHFFFAOYSA-N	2	0	466.667	2.168	1	5		JEBFRP
C[N+]1(C)CCO[C@](O)(c2ccc(CCCc3ccc([C@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	ZINC000027858221	563052026	/nfs/dbraw/zinc/05/20/26/563052026.db2.gz	QYPMLGCCGGOFEM-SVBPBHIXSA-N	2	0	456.627	2.365	1	5		JEBFRP
C[NH+](C)CCCNC(=O)c1cccc2c(=O)c3cccc(C(=O)NCCC[NH+](C)C)c3[nH]c12	ZINC000045320481	563188003	/nfs/dbraw/zinc/18/80/03/563188003.db2.gz	PEKHUVZFGUMTRT-UHFFFAOYSA-N	2	0	451.571	2.044	1	5		JEBFRP