smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)cc2)nc(OC)n1	ZINC000008424788	553014548	/nfs/dbraw/zinc/01/45/48/553014548.db2.gz	BSSVPYBMKBIVBX-AQTBWJFISA-N	-1	2	538.542	2.182	50	10		KECALM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000008442886	553044659	/nfs/dbraw/zinc/04/46/59/553044659.db2.gz	AUQPORQZDDTYNB-UYRXBGFRSA-N	-1	2	522.543	2.482	50	10		KECALM
COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2)nc(OC)n1	ZINC000008456304	553074524	/nfs/dbraw/zinc/07/45/24/553074524.db2.gz	XCTXMVZKMIEUJN-AQTBWJFISA-N	-1	2	538.542	2.182	50	10		KECALM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000100296406	554288790	/nfs/dbraw/zinc/28/87/90/554288790.db2.gz	AUQPORQZDDTYNB-CPNJWEJPSA-N	-1	2	522.543	2.482	50	10		KECALM
COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2)nc(OC)n1	ZINC000103247521	555343747	/nfs/dbraw/zinc/34/37/47/555343747.db2.gz	XCTXMVZKMIEUJN-QGOAFFKASA-N	-1	2	538.542	2.182	50	10		KECALM
COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)cc2)nc(OC)n1	ZINC000103877196	571368522	/nfs/dbraw/zinc/36/85/22/571368522.db2.gz	BSSVPYBMKBIVBX-QGOAFFKASA-N	-1	2	538.542	2.182	50	10		KECALM