smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C[C@H](NC(=O)CC(C)(C)[NH3+])C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)C(C)(C)C)cc1	ZINC000072131235	553642580	/nfs/dbraw/zinc/64/25/80/553642580.db2.gz	PFVCVCPIKMWRDC-VMRPCGFUSA-N	2	2	656.869	2.524	10	0	in-vitro	KFAELP
COc1ccc(C[C@H](NC(=O)CC(C)(C)[NH3+])C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)C(C)(C)C)cc1	ZINC000072131235	553642577	/nfs/dbraw/zinc/64/25/77/553642577.db2.gz	PFVCVCPIKMWRDC-VMRPCGFUSA-N	2	2	656.869	2.524	10	0	in-vitro	KFAELP
C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCC[NH+]2CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC2)cc1	ZINC000102698969	555012431	/nfs/dbraw/zinc/01/24/31/555012431.db2.gz	GWHXLJJICRFSIP-UHFFFAOYSA-N	2	2	533.654	2.747	10	0		KFAELP
C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCC[NH+]2CCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC2)cc1	ZINC000102698969	555012430	/nfs/dbraw/zinc/01/24/30/555012430.db2.gz	GWHXLJJICRFSIP-UHFFFAOYSA-N	2	2	533.654	2.747	10	0		KFAELP