smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)[O-])c3csc(N)n3)[C@@H]2SC1	ZINC000013704177	562984691	/nfs/dbraw/zinc/98/46/91/562984691.db2.gz	OKBVVJOGVLARMR-IHRZXMQVSA-N	-2	0	453.458	-0.545	40	30		JBEBRL
C=CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N\OCC(=O)[O-])c3csc(N)n3)[C@@H]2SC1	ZINC000014768564	518684195	/nfs/dbraw/zinc/68/41/95/518684195.db2.gz	OKBVVJOGVLARMR-CPAGPLPBSA-N	-2	0	453.458	-0.545	40	30		JBEBRL
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])cc1	ZINC000022943426	555993512	/nfs/dbraw/zinc/99/35/12/555993512.db2.gz	KADQKBBNJAEUEJ-UHFFFAOYSA-N	-4	0	488.475	-0.852	40	30		JBEBRL
C=CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N\OCC(=O)[O-])c3csc(N)n3)[C@H]2SC1	ZINC000028470742	556334009	/nfs/dbraw/zinc/33/40/09/556334009.db2.gz	OKBVVJOGVLARMR-WVIRHPHLSA-N	-2	0	453.458	-0.545	40	30	in-vitro	JBEBRL
O=C([O-])CNS(=O)(=O)c1ccc2c(c1)C(=N[O-])c1cc(S(=O)(=O)NCC(=O)[O-])ccc1-2	ZINC000040141479	1069715224	/nfs/dbraw/zinc/71/52/24/1069715224.db2.gz	SWWFQHWZSRCWPK-UHFFFAOYSA-N	-3	0	469.453	-0.381	40	30		JBEBRL
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c([O-])c([N+](=O)[O-])ccc4C[C@H]3C[C@@H]12	ZINC000101158647	1069986568	/nfs/dbraw/zinc/98/65/68/1069986568.db2.gz	LANQUMMCIDXXEO-CROFIWJMSA-N	-2	0	459.411	-0.128	40	30		JBEBRL
C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)C(=NOCC(=O)[O-])c3csc(N)n3)[C@H]2SC1	ZINC000255992360	570106657	/nfs/dbraw/zinc/10/66/57/570106657.db2.gz	OKBVVJOGVLARMR-QMTHXVAHSA-N	-2	0	453.458	-0.545	40	30	investigational	JBEBRL