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+]C=C([O-])[C@H](Cc1ccccc1)NC(=O)C[NH3+]	ZINC000013519194	183317896	/nfs/dbraw/zinc/31/78/96/183317896.db2.gz	CBOIZHHBFFTMCQ-JTQLQIEISA-N	1	0	246.270	-0.458	1	10	in-vitro	BBCFRO
CC(=O)OC[O+]=NN(O)N(C)CCO	ZINC000028649117	188465605	/nfs/dbraw/zinc/46/56/05/188465605.db2.gz	SAVQNBAMJIYLAZ-CLFYSBASSA-N	1	0	207.186	-0.760	1	10		BBCFRO
Cc1cc([C@@H]([NH3+])CO)c([O-])c([C@@H]([NH3+])CO)c1	ZINC000040641087	178236115	/nfs/dbraw/zinc/23/61/15/178236115.db2.gz	ACUFTTZPKCFWBZ-UWVGGRQHSA-N	1	0	226.276	-0.315	1	10		BBCFRO
CC(C)N/[N+](O)=N/OCS(C)(=O)=O	ZINC000095573986	187288216	/nfs/dbraw/zinc/28/82/16/187288216.db2.gz	BXNBLFQDRZBHNT-UHFFFAOYSA-N	1	0	211.243	-0.204	1	10		BBCFRO