smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc2c(c1)CC[C@H](Nc1nc(Nc3cc[nH+]cc3)nc(N3CC[NH2+]CC3)n1)C2	ZINC000045299983	581092350	/nfs/dbraw/zinc/09/23/50/581092350.db2.gz	CLUIMLUIPASJQX-IBGZPJMESA-N	2	1	402.506	2.389	1	0		HEAFMP
c1ccc2c(c1)CC[C@@H](Nc1nc(Nc3cc[nH+]cc3)nc(N3CC[NH2+]CC3)n1)C2	ZINC000045299985	581092325	/nfs/dbraw/zinc/09/23/25/581092325.db2.gz	CLUIMLUIPASJQX-LJQANCHMSA-N	2	1	402.506	2.389	1	0		HEAFMP
Nc1[nH+]cnc2c1c(-c1cccc(O)c1)cn2-c1ccc(OCC[NH2+]CCO)cc1	ZINC000040899195	581100407	/nfs/dbraw/zinc/10/04/07/581100407.db2.gz	ZLWLGAHYICQJMI-UHFFFAOYSA-N	2	1	405.458	2.336	1	0		HEAFMP
c1ccc2c(c1)CC(Nc1nc(Nc3cc[nH+]cc3)nc(N3CCC[NH2+]CC3)n1)C2	ZINC000045245095	581092328	/nfs/dbraw/zinc/09/23/28/581092328.db2.gz	ONNXCWJFSRPLRR-UHFFFAOYSA-N	2	1	402.506	2.389	1	0		HEAFMP