smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)/C(=N/NS(=O)(=O)c2ccc(Br)cc2)C(=O)N1	ZINC000814213081	637964544	/nfs/dbraw/zinc/96/45/44/637964544.db2.gz	WDRFBVQGYKALNQ-UHFFFAOYSA-N	-1	2	375.160	-0.551	20	30		GBEDLM
O=C1[N-]C(=O)/C(=N\NS(=O)(=O)c2ccc(Br)cc2)C(=O)N1	ZINC000814213081	637964539	/nfs/dbraw/zinc/96/45/39/637964539.db2.gz	WDRFBVQGYKALNQ-UHFFFAOYSA-N	-1	2	375.160	-0.551	20	30		GBEDLM
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1	ZINC001573285055	946765731	/nfs/dbraw/zinc/76/57/31/946765731.db2.gz	CKNVIGQSKRGABA-KGLIPLIRSA-N	-1	2	381.444	-0.421	20	30		GBEDLM
C=CCn1c(=O)c2ccc(C(=O)NCC(=O)NCC(=O)[O-])cc2[nH]c1=S	ZINC001588891465	984488295	/nfs/dbraw/zinc/48/82/95/984488295.db2.gz	LFTNTBFLQUXKOI-UHFFFAOYSA-N	-1	2	376.394	-0.198	20	30		GBEDLM
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001630030390	1070852300	/nfs/dbraw/zinc/85/23/00/1070852300.db2.gz	FYUSGPPBXDCIOC-VIFPVBQESA-N	-1	2	375.307	-0.360	20	30		GBEDLM