smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC1=Nc1ccc(C(=O)[O-])cc1	ZINC000252612038	569300441	/nfs/dbraw/zinc/30/04/41/569300441.db2.gz	IPHRWXNUSZEWPF-FIZBDXDJSA-N	-1	2	423.277	4.631	50	30		HJEALM
CC(=O)[N-]C(Nc1cc(C(F)(F)F)ccc1Cl)(C(F)(F)F)C(F)(F)F	ZINC000136611007	560608357	/nfs/dbraw/zinc/60/83/57/560608357.db2.gz	MAJMZVDKOUCXPK-UHFFFAOYSA-N	-1	2	402.644	4.728	50	30		HJEALM
CN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000100214959	559131996	/nfs/dbraw/zinc/13/19/96/559131996.db2.gz	IPHRWXNUSZEWPF-NRNLIPJVSA-N	-1	2	423.277	4.631	50	30		HJEALM
CN1C(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC1=Nc1ccc(C(=O)[O-])cc1	ZINC000252612041	569300427	/nfs/dbraw/zinc/30/04/27/569300427.db2.gz	IPHRWXNUSZEWPF-PSIQRRQCSA-N	-1	2	423.277	4.631	50	30		HJEALM