smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C#N)c(=O)n(C)c1=O	ZINC000061889473	237030662	/nfs/dbraw/zinc/03/06/62/237030662.db2.gz	ZNBSDFUROSNLJK-DTWKUNHWSA-N	-1	1	312.351	-0.945	10	30		DBEEMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C#N)c(=O)n(C)c1=O	ZINC000061889474	237032677	/nfs/dbraw/zinc/03/26/77/237032677.db2.gz	ZNBSDFUROSNLJK-IUCAKERBSA-N	-1	1	312.351	-0.945	10	30		DBEEMM
Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C#N)c(=O)n(C)c1=O	ZINC000061889472	237033382	/nfs/dbraw/zinc/03/33/82/237033382.db2.gz	ZNBSDFUROSNLJK-BDAKNGLRSA-N	-1	1	312.351	-0.945	10	30		DBEEMM
NC(=O)c1cncc(C(=O)N(O)CCC[P@](=O)([O-])O)c1	ZINC000096273654	375284450	/nfs/dbraw/zinc/28/44/50/375284450.db2.gz	GCOMLAHZHFPXKE-UHFFFAOYSA-N	-1	1	303.211	-0.420	10	30		DBEEMM
CN(OC(=O)c1ccccc1)c1nc(N)nc(C(N)=N[O-])n1	ZINC000584643493	412505154	/nfs/dbraw/zinc/50/51/54/412505154.db2.gz	LUJXNWCTJBCEDP-UHFFFAOYSA-N	-1	1	303.282	-0.244	10	30		DBEEMM
Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C#N)c(=O)n(C)c1=O	ZINC000061889471	294271197	/nfs/dbraw/zinc/27/11/97/294271197.db2.gz	ZNBSDFUROSNLJK-RKDXNWHRSA-N	-1	1	312.351	-0.945	10	30		DBEEMM