smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(cc1OC)CN(C(=O)Cn1ccc3c1cccc3[N-]S(C)(=O)=O)CC2	ZINC000217829857	557174404	/nfs/dbraw/zinc/17/44/04/557174404.db2.gz	JUPHYPQWZYGJDO-UHFFFAOYSA-N	-1	3	443.525	2.615	50	70		IFIAHM
COc1cccc2c1ccn2CCNC(=O)Cn1ccc2c1cccc2[N-]S(C)(=O)=O	ZINC000218285685	557187888	/nfs/dbraw/zinc/18/78/88/557187888.db2.gz	JIYXYOJOXUFPIU-UHFFFAOYSA-N	-1	3	440.525	2.793	50	70		IFIAHM
COCc1n[n-]c(-c2cccc(NC(=O)c3c(C)cc(C)n(C[C@H]4CCCO4)c3=O)c2)n1	ZINC000218607488	557209939	/nfs/dbraw/zinc/20/99/39/557209939.db2.gz	KMMBHFVWWRNGBB-GOSISDBHSA-N	-1	3	437.500	2.828	50	70		IFIAHM
COc1ccc2[nH]cc(CCNC(=O)Cn3ccc4c3cccc4[N-]S(C)(=O)=O)c2c1	ZINC000217653562	557172624	/nfs/dbraw/zinc/17/26/24/557172624.db2.gz	WNEBGZDZGPQMPE-UHFFFAOYSA-N	-1	3	440.525	2.862	50	70		IFIAHM
COCc1n[n-]c(-c2cccc(NC(=O)c3c(C)cc(C)n(C[C@@H]4CCCO4)c3=O)c2)n1	ZINC000218607407	557209998	/nfs/dbraw/zinc/20/99/98/557209998.db2.gz	KMMBHFVWWRNGBB-SFHVURJKSA-N	-1	3	437.500	2.828	50	70		IFIAHM