smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)S(=O)(=O)c1ccc(C2=CC3=C(NC(=O)/C3=N\O[C@@H]3CCOC3=O)[C@@H]3C[N@@H+](C)CC[C@@H]23)cc1	ZINC000100186168	554243008	/nfs/dbraw/zinc/24/30/08/554243008.db2.gz	QEHGCQJLOZOLSS-PWIZWCRZSA-N	1	1	500.577	0.974	40	30		KCEBMO
CCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000103689650	555462447	/nfs/dbraw/zinc/46/24/47/555462447.db2.gz	QQBQWNIRLRQILS-MNUOIFNESA-N	1	1	619.771	0.464	40	30		KCEBMO
COC(=O)c1cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)cc(C(=O)OC)c1	ZINC000140842957	571455946	/nfs/dbraw/zinc/45/59/46/571455946.db2.gz	MTDNEJOEDDAAQY-TZRRMPRUSA-N	1	1	609.684	0.298	40	30		KCEBMO
CN(C)S(=O)(=O)c1ccc(C2=CC3=C(NC(=O)/C3=N\O[C@H]3CCOC3=O)[C@@H]3C[N@@H+](C)CC[C@@H]23)cc1	ZINC000169747566	1066203025	/nfs/dbraw/zinc/20/30/25/1066203025.db2.gz	QEHGCQJLOZOLSS-DBVUQKKJSA-N	1	1	500.577	0.974	40	30		KCEBMO
CN(C)S(=O)(=O)c1ccc(C2=CC3=C(NC(=O)/C3=N\O[C@@H]3CCOC3=O)[C@H]3C[N@@H+](C)CC[C@@H]23)cc1	ZINC000169747567	1066202958	/nfs/dbraw/zinc/20/29/58/1066202958.db2.gz	QEHGCQJLOZOLSS-FFZOFVMBSA-N	1	1	500.577	0.974	40	30		KCEBMO
CN(C)S(=O)(=O)c1ccc(C2=CC3=C(NC(=O)/C3=N\O[C@H]3CCOC3=O)[C@H]3C[N@@H+](C)CC[C@@H]23)cc1	ZINC000169747568	1066203080	/nfs/dbraw/zinc/20/30/80/1066203080.db2.gz	QEHGCQJLOZOLSS-VDGAXYAQSA-N	1	1	500.577	0.974	40	30		KCEBMO