smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1[nH]c(C#N)nc1C#N	1646846	166286364	/nfs/dbraw/zinc/28/63/64/166286364.db2.gz	WNZDAVHXNPEVHT-UHFFFAOYSA-N	0	2	175.151	0.111	1	30		ACEFLN
CSc1nnc(C(C#N)C#N)nn1	32067555	168315741	/nfs/dbraw/zinc/31/57/41/168315741.db2.gz	UEZGETJAPDLWSQ-UHFFFAOYSA-N	0	2	192.207	0.119	1	30		ACEFLN
Cc1nsnc1/C=N\O	28229426	169007947	/nfs/dbraw/zinc/00/79/47/169007947.db2.gz	PDPNLPOPEWFAAS-DJWKRKHSSA-N	0	2	143.171	0.655	1	30		ACEFLN
O/N=C\c1cc(O)c(O)c(/C=N/O)c1	6524377	169315467	/nfs/dbraw/zinc/31/54/67/169315467.db2.gz	RVXQVCZJDDAKEE-INWPEIIHSA-N	0	2	196.162	0.714	1	30		ACEFLN