smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#[N+][N-][C@H]1C[C@H](N=[N+]=[N-])c2cc(C(O)=CC(=O)C(=O)[O-])ccc21	ZINC000100990395	581101509	/nfs/dbraw/zinc/10/15/09/581101509.db2.gz	ASYURJXIVOBIPS-MVGZWBGGSA-N	-1	2	314.261	3.346	1	30		DGEFLM
N#[N+][N-][C@H]1C[C@@H](N=[N+]=[N-])c2cc(C(O)=CC(=O)C(=O)[O-])ccc21	ZINC000100990387	581101578	/nfs/dbraw/zinc/10/15/78/581101578.db2.gz	ASYURJXIVOBIPS-FKWWTLFKSA-N	-1	2	314.261	3.346	1	30		DGEFLM
COc1c(C=O)c(O)c(C)c([O-])c1C(=O)/C=C/c1ccccc1	ZINC000015217537	560229378	/nfs/dbraw/zinc/22/93/78/560229378.db2.gz	UPZRKLKRPSEKAT-CMDGGOBGSA-N	-1	2	312.321	3.123	1	30	biogenic,in-vitro	DGEFLM
CCCCc1cccc(CC=C2C(=O)C(=O)C=C([O-])C2O)c1	ZINC000014951896	581093984	/nfs/dbraw/zinc/09/39/84/581093984.db2.gz	QEKIYQXKNGTDPY-UHFFFAOYSA-N	-1	2	300.354	3.368	1	30		DGEFLM
CCCCc1cccc(CC=C2C(=O)C([O-])=CC(=O)C2O)c1	ZINC000014951896	581093985	/nfs/dbraw/zinc/09/39/85/581093985.db2.gz	QEKIYQXKNGTDPY-UHFFFAOYSA-N	-1	2	300.354	3.368	1	30		DGEFLM
N#[N+][N-][C@@H]1C[C@@H](N=[N+]=[N-])c2cc(C(O)=CC(=O)C(=O)[O-])ccc21	ZINC000100990398	581101441	/nfs/dbraw/zinc/10/14/41/581101441.db2.gz	ASYURJXIVOBIPS-PULSAQFYSA-N	-1	2	314.261	3.346	1	30		DGEFLM
N#[N+][N-][C@H]1C[C@@H](N=[N+]=[N-])c2ccc(C(O)=CC(=O)C(=O)[O-])cc21	ZINC000100990402	581101491	/nfs/dbraw/zinc/10/14/91/581101491.db2.gz	ASYURJXIVOBIPS-JSEDFVMOSA-N	-1	2	314.261	3.346	1	30		DGEFLM