smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)CC1	ZINC000012076495	556397841	/nfs/dbraw/zinc/39/78/41/556397841.db2.gz	NYMQFHJEBGCGAI-OAQYLSRUSA-N	2	3	432.628	3.160	50	0		IGAAHP
COc1cc(C[NH2+]CC(C)(C)CN(C)C)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000055109068	556734958	/nfs/dbraw/zinc/73/49/58/556734958.db2.gz	HARNPZNMGABZOU-QFIPXVFZSA-N	2	3	435.653	3.378	50	0		IGAAHP
CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)CC1	ZINC000012076497	556397997	/nfs/dbraw/zinc/39/79/97/556397997.db2.gz	NYMQFHJEBGCGAI-NRFANRHFSA-N	2	3	432.628	3.160	50	0		IGAAHP
CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1	ZINC000012314770	562981144	/nfs/dbraw/zinc/98/11/44/562981144.db2.gz	VBDXXWFJXUCULH-VWLOTQADSA-N	2	3	425.617	3.380	50	0		IGAAHP
COc1cc(C[NH2+]CC(C)(C)CN(C)C)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000055109065	556734974	/nfs/dbraw/zinc/73/49/74/556734974.db2.gz	HARNPZNMGABZOU-JOCHJYFZSA-N	2	3	435.653	3.378	50	0		IGAAHP
CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1	ZINC000012314771	562981178	/nfs/dbraw/zinc/98/11/78/562981178.db2.gz	VBDXXWFJXUCULH-RUZDIDTESA-N	2	3	425.617	3.380	50	0		IGAAHP