smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@H]12	ZINC000009431476	553260951	/nfs/dbraw/zinc/26/09/51/553260951.db2.gz	XXQHIEVIGDPRPS-OTDPEBBPSA-N	-1	0	509.530	-0.285	50	5		KBBARM
Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@H]12	ZINC000009431479	553261206	/nfs/dbraw/zinc/26/12/06/553261206.db2.gz	XXQHIEVIGDPRPS-BGFNQPPGSA-N	-1	0	509.530	-0.285	50	5		KBBARM
Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]12	ZINC000022833755	553756269	/nfs/dbraw/zinc/75/62/69/553756269.db2.gz	XXQHIEVIGDPRPS-SXKNGAHQSA-N	-1	0	509.530	-0.285	50	5		KBBARM
Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]12	ZINC000022833763	553756286	/nfs/dbraw/zinc/75/62/86/553756286.db2.gz	XXQHIEVIGDPRPS-UQHVFFSPSA-N	-1	0	509.530	-0.285	50	5		KBBARM
COc1nn([C@H](C)C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)cc1[N+](=O)[O-]	ZINC000097945382	553771712	/nfs/dbraw/zinc/77/17/12/553771712.db2.gz	SPVNGDNLBRMTCU-IDAGWBSOSA-N	-1	0	525.529	-0.585	50	5		KBBARM
COc1nn([C@H](C)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)cc1[N+](=O)[O-]	ZINC000097945384	553771701	/nfs/dbraw/zinc/77/17/01/553771701.db2.gz	SPVNGDNLBRMTCU-PQSNRUSQSA-N	-1	0	525.529	-0.585	50	5		KBBARM
COc1nn([C@H](C)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@@H]23)cc1[N+](=O)[O-]	ZINC000226394120	1066228866	/nfs/dbraw/zinc/22/88/66/1066228866.db2.gz	SPVNGDNLBRMTCU-FBOGHYKTSA-N	-1	0	525.529	-0.585	50	5		KBBARM
COc1nn([C@H](C)C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@@H]23)cc1[N+](=O)[O-]	ZINC000226394138	1066228882	/nfs/dbraw/zinc/22/88/82/1066228882.db2.gz	SPVNGDNLBRMTCU-OHVCQCOFSA-N	-1	0	525.529	-0.585	50	5		KBBARM