smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000103689650	555462442	/nfs/dbraw/zinc/46/24/42/555462442.db2.gz	QQBQWNIRLRQILS-MNUOIFNESA-N	2	0	619.771	0.464	40	30		KCEBRP
COC(=O)c1cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H]2CCCN2C(=O)[C@H]([NH3+])Cc2ccccc2)cc(C(=O)OC)c1	ZINC000140842957	571455944	/nfs/dbraw/zinc/45/59/44/571455944.db2.gz	MTDNEJOEDDAAQY-TZRRMPRUSA-N	2	0	609.684	0.298	40	30		KCEBRP
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)ccc12	ZINC000197996825	1066206004	/nfs/dbraw/zinc/20/60/04/1066206004.db2.gz	RACPARIFVUIBCA-DCEDVJGZSA-N	2	0	692.778	0.432	40	30		KCEBRP
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)ccc12	ZINC000197996837	1066206109	/nfs/dbraw/zinc/20/61/09/1066206109.db2.gz	RACPARIFVUIBCA-YNJKOYDBSA-N	2	0	692.778	0.432	40	30		KCEBRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC[NH2+]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000261128017	572103152	/nfs/dbraw/zinc/10/31/52/572103152.db2.gz	KOXMDCXAOGQNDD-BHIFYINESA-N	2	0	538.609	0.551	40	30		KCEBRP
CON=[N+](O)C(COS(=O)(=O)c1ccccc1)(COS(=O)(=O)c1ccccc1)[N+](O)=NOC	ZINC000408710513	1066280383	/nfs/dbraw/zinc/28/03/83/1066280383.db2.gz	MXJLSYWXKBEEML-UHFFFAOYSA-N	2	0	506.515	0.184	40	30		KCEBRP