smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNc1nc(N2CCCN(CCO)CC2)nc(N2CCC[N@@H+](CCO)CC2)n1	ZINC000804432090	1071707128	/nfs/dbraw/zinc/70/71/28/1071707128.db2.gz	QJUVWTMYMZPJIK-UHFFFAOYSA-N	1	3	418.546	-1.653	20	30		HAEDHO
C#CCNc1nc(N2CCCN(CCO)CC2)nc(N2CCC[N@H+](CCO)CC2)n1	ZINC000804432090	1071707118	/nfs/dbraw/zinc/70/71/18/1071707118.db2.gz	QJUVWTMYMZPJIK-UHFFFAOYSA-N	1	3	418.546	-1.653	20	30		HAEDHO
COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3)C[C@H]1C2	ZINC001160793797	1072215078	/nfs/dbraw/zinc/21/50/78/1072215078.db2.gz	HOMBRXALBFRWLB-WFTXNEMLSA-N	1	3	401.485	-1.450	20	30		HAEDHO
CC[C@@H](CC#N)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1	ZINC001255164755	1072324704	/nfs/dbraw/zinc/32/47/04/1072324704.db2.gz	NHZJZURBHAXYPZ-JYJNAYRXSA-N	1	3	420.518	-1.167	20	30		HAEDHO
CC[C@H](CC#N)n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1	ZINC001255164770	1072324391	/nfs/dbraw/zinc/32/43/91/1072324391.db2.gz	NHZJZURBHAXYPZ-PMPSAXMXSA-N	1	3	420.518	-1.167	20	30		HAEDHO