smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2ncc(Br)c(=O)[n-]2)cc2c1OCO2	ZINC000160004884	533456680	/nfs/dbraw/zinc/45/66/80/533456680.db2.gz	QKPVBFIDUMLODF-UHFFFAOYSA-N	-1	0	325.118	1.937	10	70		EDIERM
Cc1nc(N)sc1C(=O)Nc1cc(S(C)(=O)=O)ccc1[O-]	ZINC000160311524	225385740	/nfs/dbraw/zinc/38/57/40/225385740.db2.gz	ATBZYFOLKZAPML-UHFFFAOYSA-N	-1	0	327.387	1.395	10	70		EDIERM
Cc1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2O)s1	ZINC000160325502	534212864	/nfs/dbraw/zinc/21/28/64/534212864.db2.gz	FROJSZJFUQVNKG-UHFFFAOYSA-N	-1	0	347.439	1.966	10	70		EDIERM
COC(=O)CCCc1csc([N-]S(=O)(=O)N(C)C(C)C)n1	ZINC000160040071	533400221	/nfs/dbraw/zinc/40/02/21/533400221.db2.gz	NQYNKURAEAPYSC-UHFFFAOYSA-N	-1	0	335.451	1.636	10	70		EDIERM
CC(C)Cn1ccnc(N(C)Cc2nc(=O)c3sccc3[n-]2)c1=O	ZINC000160604919	441900940	/nfs/dbraw/zinc/90/09/40/441900940.db2.gz	ODVCQFQUGHSCTA-UHFFFAOYSA-N	-1	0	345.428	1.834	10	70		EDIERM
C[C@](N)(C(=O)Nc1cc(S(C)(=O)=O)ccc1[O-])C(F)(F)F	ZINC000160310514	225384449	/nfs/dbraw/zinc/38/44/49/225384449.db2.gz	JRZXXSYESACSJB-JTQLQIEISA-N	-1	0	326.296	1.014	10	70		EDIERM
Cn1ccc([N-]S(=O)(=O)c2cc(C(N)=S)ccc2Cl)n1	ZINC000160857854	534771700	/nfs/dbraw/zinc/77/17/00/534771700.db2.gz	RHWLVEDXCPCGHU-UHFFFAOYSA-N	-1	0	330.822	1.509	10	70		EDIERM