smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(C(c2c([O-])[nH]c(=O)[nH]c2=O)c2c([O-])[nH]c(=O)[nH]c2=O)cc1	ZINC000001628962	210362535	/nfs/dbraw/zinc/36/25/35/210362535.db2.gz	GJIPWMKMTGHELE-UHFFFAOYSA-N	-2	0	369.293	-1.394	40	30		FAEBRL
O=S(=O)([O-])C[C@H](O)COCC#CCOC[C@H](O)CS(=O)(=O)[O-]	ZINC000031360920	210168412	/nfs/dbraw/zinc/16/84/12/210168412.db2.gz	FMVJTYLDBPDVLA-AOOOYVTPSA-N	-2	0	362.378	-2.480	40	30		FAEBRL
O=S(=O)([O-])C[C@H](O)COCC#CCOC[C@@H](O)CS(=O)(=O)[O-]	ZINC000031360922	483197998	/nfs/dbraw/zinc/19/79/98/483197998.db2.gz	FMVJTYLDBPDVLA-NXEZZACHSA-N	-2	0	362.378	-2.480	40	30		FAEBRL
O=S(=O)([O-])C[C@@H](O)COCC#CCOC[C@H](O)CS(=O)(=O)[O-]	ZINC000031360924	483198110	/nfs/dbraw/zinc/19/81/10/483198110.db2.gz	FMVJTYLDBPDVLA-UWVGGRQHSA-N	-2	0	362.378	-2.480	40	30		FAEBRL
CC1=C(C(N)=O)C(=O)[C@H](CC(=O)[O-])C(=O)[C@@H]1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000100927405	482650930	/nfs/dbraw/zinc/65/09/30/482650930.db2.gz	YEZICTZKTDHJTD-PHDIDXHHSA-N	-2	0	363.282	-2.061	40	30		FAEBRL
CC1=C(C(N)=O)C(=O)[C@@H](CC(=O)[O-])C(=O)[C@@H]1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000100927406	209218546	/nfs/dbraw/zinc/21/85/46/209218546.db2.gz	YEZICTZKTDHJTD-RITPCOANSA-N	-2	0	363.282	-2.061	40	30		FAEBRL
CC1=C(C(N)=O)C(=O)[C@H](CC(=O)[O-])C(=O)[C@H]1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000100927407	209218551	/nfs/dbraw/zinc/21/85/51/209218551.db2.gz	YEZICTZKTDHJTD-NTSWFWBYSA-N	-2	0	363.282	-2.061	40	30		FAEBRL
CC1=C(C(N)=O)C(=O)[C@@H](CC(=O)[O-])C(=O)[C@H]1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000100927410	482651713	/nfs/dbraw/zinc/65/17/13/482651713.db2.gz	YEZICTZKTDHJTD-WDSKDSINSA-N	-2	0	363.282	-2.061	40	30		FAEBRL