smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1c2c(N)nc(N)nc2CC[C@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000040917440	563155876	/nfs/dbraw/zinc/15/58/76/563155876.db2.gz	PFMYSPVFKUTVOH-RDJZCZTQSA-N	-2	1	483.529	1.108	1	30		JDEFML
O=C([O-])[C@H](CC#Cc1ccccc1F)NC(=O)[C@H](CC#Cc1ccccc1F)NC[P@@](=O)([O-])O	ZINC000013779375	562991478	/nfs/dbraw/zinc/99/14/78/562991478.db2.gz	LEUUZEFIWDNUGB-SFTDATJTSA-N	-2	1	490.399	1.811	1	30		JDEFML
COc1cc(OC)nc(NC([O-])=NS(=O)(=O)c2nc(C(F)(F)F)ccc2C(=O)[O-])n1	ZINC000031424949	563108050	/nfs/dbraw/zinc/10/80/50/563108050.db2.gz	HCNBYBFTNHEQQJ-UHFFFAOYSA-N	-2	1	451.339	1.321	1	30		JDEFML
COc1cc(OC)nc(NC(=O)N=S(=O)([O-])c2nc(C(F)(F)F)ccc2C(=O)[O-])n1	ZINC000031424949	563108051	/nfs/dbraw/zinc/10/80/51/563108051.db2.gz	HCNBYBFTNHEQQJ-UHFFFAOYSA-N	-2	1	451.339	1.321	1	30		JDEFML
C=C[C@@]1(OC[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)C=C[C@H](n2cnc3c2ncnc3N)C1	ZINC000040892644	563153351	/nfs/dbraw/zinc/15/33/51/563153351.db2.gz	WASQUMJPDUOPMD-TVQRCGJNSA-N	-3	1	497.234	1.220	1	30		JDEFML
C=C[C@@]1(OC[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)C=C[C@H](n2cnc3c2ncnc3N)C1	ZINC000040892644	563153352	/nfs/dbraw/zinc/15/33/52/563153352.db2.gz	WASQUMJPDUOPMD-TVQRCGJNSA-N	-3	1	497.234	1.220	1	30		JDEFML
C=CCN1c2c(N)nc(N)nc2CC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000040917438	563155958	/nfs/dbraw/zinc/15/59/58/563155958.db2.gz	PFMYSPVFKUTVOH-WBVHZDCISA-N	-2	1	483.529	1.108	1	30		JDEFML