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@@H+](CC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1)C1CC[NH+](C)CC1	ZINC000217071436	483856647	/nfs/dbraw/zinc/85/66/47/483856647.db2.gz	QCAVLNKZEKGGIZ-KRWDZBQOSA-N	2	2	365.478	-0.333	50	70		FBIALP
C[N@H+](CC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1)C1CC[NH+](C)CC1	ZINC000217071436	483856646	/nfs/dbraw/zinc/85/66/46/483856646.db2.gz	QCAVLNKZEKGGIZ-KRWDZBQOSA-N	2	2	365.478	-0.333	50	70		FBIALP
C[N@@H+](CC(=O)N1CCCn2nc([C@H](O)CO)cc2C1)C1CC[NH+](C)CC1	ZINC000217071471	483856322	/nfs/dbraw/zinc/85/63/22/483856322.db2.gz	QCAVLNKZEKGGIZ-QGZVFWFLSA-N	2	2	365.478	-0.333	50	70		FBIALP
C[N@H+](CC(=O)N1CCCn2nc([C@H](O)CO)cc2C1)C1CC[NH+](C)CC1	ZINC000217071471	483856321	/nfs/dbraw/zinc/85/63/21/483856321.db2.gz	QCAVLNKZEKGGIZ-QGZVFWFLSA-N	2	2	365.478	-0.333	50	70		FBIALP
C[NH+]1CCN(c2cc(N3CCCn4nc(CO)cc4C3)[nH+]c(N)n2)CC1	ZINC000217389779	536419714	/nfs/dbraw/zinc/41/97/14/536419714.db2.gz	ICKODDWINUJJMP-UHFFFAOYSA-N	2	2	358.450	-0.090	50	70		FBIALP