smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000005618671	561697576	/nfs/dbraw/zinc/69/75/76/561697576.db2.gz	YFGBQHOOROIVKG-BHIFYINESA-N	-1	1	573.672	-0.456	10	0		KBAEMM
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000005618674	561697514	/nfs/dbraw/zinc/69/75/14/561697514.db2.gz	YFGBQHOOROIVKG-FSSWDIPSSA-N	-1	1	573.672	-0.456	10	0	in-vitro	KBAEMM
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000014952111	560227690	/nfs/dbraw/zinc/22/76/90/560227690.db2.gz	URLZCHNOLZSCCA-RJGXRXQPSA-N	-1	1	555.632	-0.163	10	0	in-vitro	KBAEMM
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000027418799	561857394	/nfs/dbraw/zinc/85/73/94/561857394.db2.gz	WXXXTGCEFZNPNO-ZMVGRULKSA-N	-1	1	587.699	-0.067	10	0		KBAEMM
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000027978448	561891350	/nfs/dbraw/zinc/89/13/50/561891350.db2.gz	AGNHQKAXUWFRGP-QORCZRPOSA-N	-1	1	653.762	-0.436	10	0		KBAEMM
CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000028655660	561946689	/nfs/dbraw/zinc/94/66/89/561946689.db2.gz	UNECOKLPXZTPOD-VUBDRERZSA-N	-1	1	657.810	-0.804	10	0		KBAEMM
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000143691132	562835245	/nfs/dbraw/zinc/83/52/45/562835245.db2.gz	MHNSNPIYASDSCR-ZMVGRULKSA-N	-1	1	587.699	-0.067	10	0		KBAEMM
CSCC[C@H](NC(=O)N[C@H](Cc1cccc(O)c1)C(=O)[O-])C(=O)N[C@H](C(=O)N/C=C1/C[C@H](O)[C@H](N2CCC(=O)NC2=O)O1)[C@H](C)N(C)C(=O)[C@H](N)Cc1cccc(O)c1	ZINC000253632950	562882025	/nfs/dbraw/zinc/88/20/25/562882025.db2.gz	DXBJHRPKFQGVGZ-QMIBEUEUSA-N	-1	1	842.929	-0.577	10	0		KBAEMM
CSCC[C@H](NC(=O)N[C@H](Cc1cccc(O)c1)C(=O)[O-])C(=O)N[C@H](C(=O)N/C=C1/C[C@H](O)[C@H](N2CCC(=O)NC2=O)O1)[C@H](C)N(C)C(=O)[C@@H](N)Cc1cccc(O)c1	ZINC000253632953	562882030	/nfs/dbraw/zinc/88/20/30/562882030.db2.gz	DXBJHRPKFQGVGZ-UFLBASIASA-N	-1	1	842.929	-0.577	10	0		KBAEMM