smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1COC[C@H]([C@H](O)CO)C(=O)C1=O	ZINC000033830558	560088754	/nfs/dbraw/zinc/08/87/54/560088754.db2.gz	JWRMPAWGSCABLN-RFZPGFLSSA-N	-1	0	202.162	-2.307	1	10	biogenic,in-vitro	BACFRM
NC(=S)NNC=C1C(=O)[N-]C(=O)NC1=O	ZINC000096930169	181318915	/nfs/dbraw/zinc/31/89/15/181318915.db2.gz	ADJGUAQVRDIQLP-UHFFFAOYSA-N	-1	0	229.221	-1.586	1	10		BACFRM
CC(C)(CO)NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000103277862	187291138	/nfs/dbraw/zinc/29/11/38/187291138.db2.gz	IRKXPLZJBKISKD-UHFFFAOYSA-N	-1	0	227.220	-1.403	1	10		BACFRM
N#[N+]CC(=O)CC[C@H]([NH3+])C(=O)NCC(=O)[O-]	ZINC000169694275	183317273	/nfs/dbraw/zinc/31/72/73/183317273.db2.gz	GNSIJCXAFXFECO-LURJTMIESA-N	-1	0	228.208	-1.836	1	10		BACFRM