smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CSc1nnc([N-][NH+]=Cc2cccc(Br)c2)[n-]1)NCc1cccc(C(F)(F)F)c1	ZINC000020437039	553648593	/nfs/dbraw/zinc/64/85/93/553648593.db2.gz	XEPYMVOEAQFQSQ-KIBLKLHPSA-N	-1	3	513.343	4.441	10	30		KIEEHM
O=C(CSc1nnc(NN=Cc2cccc(Br)c2)[n-]1)NCc1cccc(C(F)(F)F)c1	ZINC000020437039	553648590	/nfs/dbraw/zinc/64/85/90/553648590.db2.gz	XEPYMVOEAQFQSQ-KIBLKLHPSA-N	-1	3	513.343	4.441	10	30		KIEEHM
CS(=O)(=O)c1ccc(C#C[C@@]([O-])(c2ccc(N(CC3CC3)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1	ZINC000084690534	562749638	/nfs/dbraw/zinc/74/96/38/562749638.db2.gz	NMMZNDAQGGNURI-AREMUKBSSA-N	-1	3	563.619	4.497	10	30		KIEEHM
CS(=O)(=O)c1ccc(C#C[C@]([O-])(c2ccc(N(CC3CC3)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1	ZINC000084690535	562749666	/nfs/dbraw/zinc/74/96/66/562749666.db2.gz	NMMZNDAQGGNURI-SANMLTNESA-N	-1	3	563.619	4.497	10	30		KIEEHM
N#Cc1cc(S(=O)(=O)[N-]c2nncs2)ccc1Oc1ccc(Cl)cc1-c1ccnc(N2CCNCC2)c1	ZINC000095581495	562772206	/nfs/dbraw/zinc/77/22/06/562772206.db2.gz	JRDYDIPIJZUPTM-UHFFFAOYSA-N	-1	3	554.057	4.128	10	30		KIEEHM
CCOC(=O)c1sc(NC(=O)CSc2nnc([N-][NH+]=Cc3cccc(Br)c3)[n-]2)c(C#N)c1C	ZINC000103563868	555450185	/nfs/dbraw/zinc/45/01/85/555450185.db2.gz	KOAKJQXBURNWBD-NUGSKGIGSA-N	-1	3	548.448	4.162	10	30		KIEEHM
CCCCCCCCCCCCCCCC(=O)O[C@@H](C(=O)[C@@H](N)CCC(=O)[O-])[C@H](CO)O[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000514286875	717183684	/nfs/dbraw/zinc/18/36/84/717183684.db2.gz	LBPYGNOIHKUCOY-IALVYGIMSA-O	-1	3	625.761	4.341	10	30		KIEEHM
CCCCCCCCCCCCCCCC(=O)O[C@@H](C(=O)[C@@H](N)CCC(=O)[O-])[C@H](CO)O[P@@](=O)([O-])OCC[N+](C)(C)C	ZINC000514286875	717183680	/nfs/dbraw/zinc/18/36/80/717183680.db2.gz	LBPYGNOIHKUCOY-IALVYGIMSA-O	-1	3	625.761	4.341	10	30		KIEEHM
CCCCCCCCCCCCCCCC(=O)O[C@H](C(=O)[C@@H](N)CCC(=O)[O-])[C@H](CO)O[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000514286876	717183695	/nfs/dbraw/zinc/18/36/95/717183695.db2.gz	LBPYGNOIHKUCOY-QEMZJVQQSA-O	-1	3	625.761	4.341	10	30		KIEEHM
CCCCCCCCCCCCCCCC(=O)O[C@H](C(=O)[C@@H](N)CCC(=O)[O-])[C@H](CO)O[P@@](=O)([O-])OCC[N+](C)(C)C	ZINC000514286876	717183691	/nfs/dbraw/zinc/18/36/91/717183691.db2.gz	LBPYGNOIHKUCOY-QEMZJVQQSA-O	-1	3	625.761	4.341	10	30		KIEEHM