smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1/N=N/c1ccccc1S(=O)(=O)c1ccccc1	ZINC000038171352	569799738	/nfs/dbraw/zinc/79/97/38/569799738.db2.gz	MAUHYLITSXECQK-OCOZRVBESA-N	-1	1	483.527	4.623	10	10		JJCEMM
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4)C3=O)o2)cc1Cl	ZINC000033319784	563110421	/nfs/dbraw/zinc/11/04/21/563110421.db2.gz	WETBJOIOAYPEBW-WJDWOHSUSA-N	-1	1	452.875	4.970	10	10		JJCEMM
Cc1cccc(N2C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)c1	ZINC000033316176	524531871	/nfs/dbraw/zinc/53/18/71/524531871.db2.gz	YLAMHOYEPAPBLC-STZFKDTASA-N	-1	1	472.522	4.944	10	10		JJCEMM
Cc1cc(C=C2NC(=S)[N-]C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000033352239	526091299	/nfs/dbraw/zinc/09/12/99/526091299.db2.gz	RXNNYJATMMGWEV-NDENLUEZSA-N	-1	1	450.545	4.910	10	10		JJCEMM
O=C([O-])c1cc(-c2ccc(/C=C3\C(=O)NN(c4ccc(Br)cc4)C3=O)o2)ccc1Cl	ZINC000033296082	526341320	/nfs/dbraw/zinc/34/13/20/526341320.db2.gz	WLQQMFYMGLVBFP-MHWRWJLKSA-N	-1	1	487.693	4.522	10	10		JJCEMM