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@H](NC(=O)CCC(=O)[O-])C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000027307277	553825267	/nfs/dbraw/zinc/82/52/67/553825267.db2.gz	VSEGOTQZYWBMCQ-TZYHBYERSA-N	-1	0	610.624	0.738	10	5		KCBERM
O=C([O-])CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])c2nonc21)NC(=O)CNC(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000071788496	553639494	/nfs/dbraw/zinc/63/94/94/553639494.db2.gz	UMIBWYOMIVLBBJ-ZDUSSCGKSA-N	-1	0	577.488	0.743	10	5		KCBERM
C[C@H](NC(=O)CCC(=O)[O-])C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000085573901	553684419	/nfs/dbraw/zinc/68/44/19/553684419.db2.gz	WKLALNSUIXPEGB-KMAVCZJNSA-N	-1	0	681.703	0.372	10	5		KCBERM
CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000301320183	572143999	/nfs/dbraw/zinc/14/39/99/572143999.db2.gz	SSDBXDGLQPOZGD-LTDCPUDJSA-N	-1	0	562.580	0.293	10	5		KCBERM
CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000301320184	572144083	/nfs/dbraw/zinc/14/40/83/572144083.db2.gz	SSDBXDGLQPOZGD-PDWMJMLSSA-N	-1	0	562.580	0.293	10	5		KCBERM
CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000301320185	572144055	/nfs/dbraw/zinc/14/40/55/572144055.db2.gz	SSDBXDGLQPOZGD-QXGSTGNESA-N	-1	0	562.580	0.293	10	5		KCBERM