smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CCC2(C(=O)NC(=O)NC2=O)N1c1ccc(Oc2ccc3c(c2)OCO3)cc1	ZINC000028128415	581099500	/nfs/dbraw/zinc/09/95/00/581099500.db2.gz	DMWFWKLZKONSAG-UHFFFAOYSA-N	0	2	409.354	2.280	1	0		HEAFLN
CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCO[C@@H](CF)C5)c1c4n23	ZINC000003775611	132268872	/nfs/dbraw/zinc/26/88/72/132268872.db2.gz	PHYLUFIYANLQSE-JTQLQIEISA-N	0	2	421.425	2.476	1	0		HEAFLN
CN1Cc2csc3c(C(=O)[O-])c(=O)c4cc(F)c(N5CC[NH+](C)CC5)c1c4n23	ZINC000000576952	536418291	/nfs/dbraw/zinc/41/82/91/536418291.db2.gz	BYKFTGDYZYPUOQ-UHFFFAOYSA-N	0	2	402.451	2.053	1	0		HEAFLN
CC[NH+]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])c4scc5n4c3c2N(C)C5)CC1	ZINC000000576971	132228664	/nfs/dbraw/zinc/22/86/64/132228664.db2.gz	PYIHLHCPGXRKMP-UHFFFAOYSA-N	0	2	416.478	2.443	1	0		HEAFLN
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])c4scc5n4c3c2N(C)C5)CC[N@@H+]1C	ZINC000003782331	132268809	/nfs/dbraw/zinc/26/88/09/132268809.db2.gz	LYGJAQLWHYPFBZ-JTQLQIEISA-N	0	2	416.478	2.442	1	0		HEAFLN
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])c4scc5n4c3c2N(C)C5)CC[N@H+]1C	ZINC000003782331	132268810	/nfs/dbraw/zinc/26/88/10/132268810.db2.gz	LYGJAQLWHYPFBZ-JTQLQIEISA-N	0	2	416.478	2.442	1	0		HEAFLN