smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000035910713	569725934	/nfs/dbraw/zinc/72/59/34/569725934.db2.gz	FRZYAZHCKLZNEK-TVQRCGJNSA-N	-1	0	463.468	1.870	10	5		JDBERM
CC(/C=C/C=C(\C)C(=O)[O-])=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000087528079	291449364	/nfs/dbraw/zinc/44/93/64/291449364.db2.gz	ZVGODNZUEWDIPM-YXRLTKITSA-N	-1	0	490.549	1.868	10	5	biogenic,in-vitro	JDBERM
CCOC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000035910716	569725928	/nfs/dbraw/zinc/72/59/28/569725928.db2.gz	FRZYAZHCKLZNEK-ZANVPECISA-N	-1	0	463.468	1.870	10	5		JDBERM
CCOC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000035910718	569725906	/nfs/dbraw/zinc/72/59/06/569725906.db2.gz	FRZYAZHCKLZNEK-RNCFNFMXSA-N	-1	0	463.468	1.870	10	5		JDBERM
CCOC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000035910715	569725974	/nfs/dbraw/zinc/72/59/74/569725974.db2.gz	FRZYAZHCKLZNEK-NOZJJQNGSA-N	-1	0	463.468	1.870	10	5		JDBERM