smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH2+][C@@H](C)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000005437725	552502208	/nfs/dbraw/zinc/50/22/08/552502208.db2.gz	JWZVNWMCWYGOAJ-CLPHVIJISA-N	2	0	584.666	2.218	40	10		KECBRP
CCCC[NH2+][C@H](C)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000005437728	552502292	/nfs/dbraw/zinc/50/22/92/552502292.db2.gz	JWZVNWMCWYGOAJ-GGPDAKACSA-N	2	0	584.666	2.218	40	10		KECBRP
CCCC[NH2+][C@@H](C)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000005437730	552502283	/nfs/dbraw/zinc/50/22/83/552502283.db2.gz	JWZVNWMCWYGOAJ-RCFJUZOUSA-N	2	0	584.666	2.218	40	10		KECBRP
CCCC[NH2+][C@H](C)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000005437731	552502268	/nfs/dbraw/zinc/50/22/68/552502268.db2.gz	JWZVNWMCWYGOAJ-GQDLJTMDSA-N	2	0	584.666	2.218	40	10		KECBRP
O=C(CCc1ccc(O)c(O)c1)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)CCc1ccc(O)c(O)c1	ZINC000013513540	553467910	/nfs/dbraw/zinc/46/79/10/553467910.db2.gz	IOLDDENZPBFBHV-UHFFFAOYSA-N	2	0	530.666	2.046	40	10	endogenous,in-man	KECBRP