smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H]1C[NH+](Cc2c(O)ccc3ccc(O)c(C[N@H+]4CCO[C@@H](C(=O)OC)C4)c32)CCO1	ZINC000728564295	1067846718	/nfs/dbraw/zinc/84/67/18/1067846718.db2.gz	HRPUTXIFTCEXAO-NHCUHLMSSA-N	2	2	474.510	0.999	20	10		JCCDLP
COC(=O)[C@H]1C[NH+](Cc2c(O)ccc3ccc(O)c(C[N@@H+]4CCO[C@@H](C(=O)OC)C4)c32)CCO1	ZINC000728564295	1067846712	/nfs/dbraw/zinc/84/67/12/1067846712.db2.gz	HRPUTXIFTCEXAO-NHCUHLMSSA-N	2	2	474.510	0.999	20	10		JCCDLP
COC(=O)[C@@H]1C[NH+](Cc2c(O)ccc3ccc(O)c(C[N@H+]4CCO[C@H](C(=O)OC)C4)c32)CCO1	ZINC000728564300	1067846753	/nfs/dbraw/zinc/84/67/53/1067846753.db2.gz	HRPUTXIFTCEXAO-SFTDATJTSA-N	2	2	474.510	0.999	20	10		JCCDLP
COC(=O)[C@@H]1C[NH+](Cc2c(O)ccc3ccc(O)c(C[N@@H+]4CCO[C@H](C(=O)OC)C4)c32)CCO1	ZINC000728564300	1067846749	/nfs/dbraw/zinc/84/67/49/1067846749.db2.gz	HRPUTXIFTCEXAO-SFTDATJTSA-N	2	2	474.510	0.999	20	10		JCCDLP
COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)cc1	ZINC000746386407	1069920641	/nfs/dbraw/zinc/92/06/41/1069920641.db2.gz	RLNODSWUHHVBMS-NRFANRHFSA-N	2	2	473.618	0.504	20	10		JCCDLP
COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)cc1	ZINC000746386408	1069920828	/nfs/dbraw/zinc/92/08/28/1069920828.db2.gz	RLNODSWUHHVBMS-OAQYLSRUSA-N	2	2	473.618	0.504	20	10		JCCDLP