smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)CC[NH+](C)C)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C	ZINC000008036043	552983971	/nfs/dbraw/zinc/98/39/71/552983971.db2.gz	RSOZZQTUMVBTMR-RBRFWQPISA-N	1	0	509.640	2.023	10	30		KEEERO
CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000049772306	554325941	/nfs/dbraw/zinc/32/59/41/554325941.db2.gz	QQVNCBCBFNWLJX-FCEKVYKBSA-N	1	0	644.733	2.254	10	30		KEEERO
CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)/C(C)=C/[C@]1(C)O	ZINC000077291187	553659110	/nfs/dbraw/zinc/65/91/10/553659110.db2.gz	GVPDZXPAAWSLFA-GLBOTDGWSA-N	1	0	571.752	2.464	10	30	in-vitro	KEEERO