smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)c1cccc(-c2ccc(C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)c1	ZINC000042784558	562087766	/nfs/dbraw/zinc/08/77/66/562087766.db2.gz	OYCWFOLWJZRICL-UHFFFAOYSA-N	0	1	589.636	4.510	1	70		KJIFMN
CNC(=O)c1ccc(-c2ccc(C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)cc1	ZINC000042784640	562087758	/nfs/dbraw/zinc/08/77/58/562087758.db2.gz	AUFOWYXFFKBIDT-UHFFFAOYSA-N	0	1	589.636	4.510	1	70		KJIFMN
COC(=O)C1=C(OC)C(=[P@]2(c3ccccc3)CC(c3ccccc3)=C2c2ccccc2)C(C(=O)OC)=C1C(=O)OC	ZINC000073333457	562738212	/nfs/dbraw/zinc/73/82/12/562738212.db2.gz	SZXBFKJYYYMBQY-RWYGWLOXSA-N	0	1	568.562	4.814	1	70		KJIFMN
COC(=O)C1=C(OC)C(=[P@]2(c3ccccc3)CC(c3ccccc3)=C2c2ccccc2)C(C(=O)OC)=C1C(=O)OC	ZINC000102940685	562813634	/nfs/dbraw/zinc/81/36/34/562813634.db2.gz	SZXBFKJYYYMBQY-VQJSHJPSSA-N	0	1	568.562	4.814	1	70		KJIFMN
CCOC(=O)C1(CC(C)C)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)CC1	ZINC000217613250	562877623	/nfs/dbraw/zinc/87/76/23/562877623.db2.gz	CZMGWNNTAKLVJV-UHFFFAOYSA-N	0	1	523.655	4.867	1	70		KJIFMN
O=C(c1ccc(NS(=O)(=O)c2ccc(F)c3cccnc32)cc1)N1CCC(O)(Cc2ccccc2F)CC1	ZINC000217631250	562877667	/nfs/dbraw/zinc/87/76/67/562877667.db2.gz	LJNNNHHNUJSXBP-UHFFFAOYSA-N	0	1	537.588	4.524	1	70		KJIFMN
COc1ccccc1-c1c2nc(Nc3ccc(CN4CCN(C)CC4)cc3OC(C)C)ncc2sc1C(N)=O	ZINC000217657209	562877744	/nfs/dbraw/zinc/87/77/44/562877744.db2.gz	YUAGJCVZVLZRDP-UHFFFAOYSA-N	0	1	546.697	4.744	1	70		KJIFMN