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+]1CCN([C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1	ZINC000093132929	524958157	/nfs/dbraw/zinc/95/81/57/524958157.db2.gz	QIADKVSWTFSYDF-NRFANRHFSA-N	2	0	358.530	1.735	10	10		FDCERP
CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1	ZINC000093132928	524956219	/nfs/dbraw/zinc/95/62/19/524956219.db2.gz	QIADKVSWTFSYDF-OAQYLSRUSA-N	2	0	358.530	1.735	10	10		FDCERP
C[N+](C)(C)CCC[n+]1ccc(CCN2C(=O)c3ccccc3C2=O)cc1	ZINC000003620900	717096143	/nfs/dbraw/zinc/09/61/43/717096143.db2.gz	CCYXTTUIEGUPSF-UHFFFAOYSA-N	2	0	353.466	1.909	10	10		FDCERP
C[NH2+]CCNc1ccc(NCC[NH2+]C)c2c1C(=O)c1ccccc1C2=O	ZINC000005115476	204192726	/nfs/dbraw/zinc/19/27/26/204192726.db2.gz	NEQMTEIWJIFHMS-UHFFFAOYSA-N	2	0	352.438	1.725	10	10		FDCERP
COc1cc(O)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1OC	ZINC000180094097	525664385	/nfs/dbraw/zinc/66/43/85/525664385.db2.gz	IWNUVBZVFPUWMQ-AWEZNQCLSA-N	2	0	352.475	1.934	10	10		FDCERP
COc1cc(O)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1OC	ZINC000180094116	525664139	/nfs/dbraw/zinc/66/41/39/525664139.db2.gz	IWNUVBZVFPUWMQ-CQSZACIVSA-N	2	0	352.475	1.934	10	10		FDCERP