smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](Oc1ccc(C=C(C#N)C#N)cc1)C(=O)[O-]	ZINC000059249984	957562762	/nfs/dbraw/zinc/56/27/62/957562762.db2.gz	OLEFFLSZXPHKTL-VIFPVBQESA-N	-1	0	242.234	1.969	40	50		BDGBRM
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)[O-])cc1	ZINC000016321150	957098009	/nfs/dbraw/zinc/09/80/09/957098009.db2.gz	SHHUTXKPXXYFFJ-UXBLZVDNSA-N	-1	0	230.223	1.637	40	50		BDGBRM
C[C@@H](Oc1ccc(C=C(C#N)C#N)cc1)C(=O)[O-]	ZINC000059249987	957561877	/nfs/dbraw/zinc/56/18/77/957561877.db2.gz	OLEFFLSZXPHKTL-SECBINFHSA-N	-1	0	242.234	1.969	40	50		BDGBRM
O=C([O-])c1sccc1NC(=O)CCl	ZINC000000159899	956860632	/nfs/dbraw/zinc/86/06/32/956860632.db2.gz	JAJLPBZRUPBQIK-UHFFFAOYSA-N	-1	0	219.649	1.624	40	50		BDGBRM
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000006513688	956876944	/nfs/dbraw/zinc/87/69/44/956876944.db2.gz	PRKAGXBESHYXLI-YVMONPNESA-N	-1	0	218.168	1.586	40	50		BDGBRM
Cc1cc([N+](=O)[O-])cc(/C=C/C=O)c1[O-]	ZINC000216763998	178269625	/nfs/dbraw/zinc/26/96/25/178269625.db2.gz	QFBUBFLKUHYCNP-NSCUHMNNSA-N	-1	0	207.185	1.821	40	50		BDGBRM
COC(=O)c1ccc(/C=C(\C#N)C(=O)[O-])cc1	ZINC000016194133	957098718	/nfs/dbraw/zinc/09/87/18/957098718.db2.gz	FBYVGFOTPMGABB-UXBLZVDNSA-N	-1	0	231.207	1.465	40	50		BDGBRM
N#CC(C#N)=Cc1ccc(OCC(=O)[O-])cc1	ZINC000006209254	956874683	/nfs/dbraw/zinc/87/46/83/956874683.db2.gz	UOLRPUAEKSWWAE-UHFFFAOYSA-N	-1	0	228.207	1.581	40	50		BDGBRM