smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2[nH]c(=O)[n-]c(=O)c2C#N)cc1O	ZINC000095564009	185010276	/nfs/dbraw/zinc/01/02/76/185010276.db2.gz	YOSWYKZGVJZHRH-UHFFFAOYSA-N	-1	2	259.221	0.316	1	30		CCEFLM
CCC[S@+](C)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000028862526	581099124	/nfs/dbraw/zinc/09/91/24/581099124.db2.gz	LSEAFPVNXKOPJM-OAHLLOKOSA-O	-1	2	279.211	0.326	1	30		CCEFLM
CCC[S@+](C)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000028862526	581099125	/nfs/dbraw/zinc/09/91/25/581099125.db2.gz	LSEAFPVNXKOPJM-OAHLLOKOSA-O	-1	2	279.211	0.326	1	30		CCEFLM
N#C/C(Cn1c[n+]([N-]C(=O)Nc2ccccc2)cn1)=N\[O-]	ZINC000018205677	260111998	/nfs/dbraw/zinc/11/19/98/260111998.db2.gz	JVIGYPHZSCSUTN-GZTJUZNOSA-O	-1	2	286.275	0.300	1	30		CCEFLM
CCC[S@@+](C)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000028862524	581099274	/nfs/dbraw/zinc/09/92/74/581099274.db2.gz	LSEAFPVNXKOPJM-HNNXBMFYSA-O	-1	2	279.211	0.326	1	30		CCEFLM
CCC[S@@+](C)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000028862524	581099275	/nfs/dbraw/zinc/09/92/75/581099275.db2.gz	LSEAFPVNXKOPJM-HNNXBMFYSA-O	-1	2	279.211	0.326	1	30		CCEFLM