smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCCn1cccc1)NCc1n[nH]c(=O)[nH]1	ZINC000159789801	388031339	/nfs/dbraw/zinc/03/13/39/388031339.db2.gz	FKAWCANJJTYILP-UHFFFAOYSA-N	0	2	249.274	-0.004	20	70		BBIDLN
CC1(C)C[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1	ZINC000160120098	323060939	/nfs/dbraw/zinc/06/09/39/323060939.db2.gz	JWBSLQIFEIEVGZ-YFKPBYRVSA-N	0	2	210.237	-0.240	20	70		BBIDLN
O=C(NCCc1cccc(O)c1)c1nc(=O)[nH][nH]1	ZINC000160190696	323063065	/nfs/dbraw/zinc/06/30/65/323063065.db2.gz	WGNTZWDQCRUHIG-UHFFFAOYSA-N	0	2	248.242	-0.224	20	70		BBIDLN
COCCNS(=O)(=O)NCC(F)(F)F	ZINC000160449069	387011824	/nfs/dbraw/zinc/01/18/24/387011824.db2.gz	AWUWMTMUHZIYJF-UHFFFAOYSA-N	0	2	236.215	-0.381	20	70		BBIDLN
CN(C)S(=O)(=O)NCC(F)(F)F	ZINC000160450210	388066997	/nfs/dbraw/zinc/06/69/97/388066997.db2.gz	AOGIMJITRNFNBC-UHFFFAOYSA-N	0	2	206.189	-0.055	20	70		BBIDLN
C[C@H](O)CNS(=O)(=O)NCC(F)(F)F	ZINC000160658808	361324000	/nfs/dbraw/zinc/32/40/00/361324000.db2.gz	PYELATLSBGKCCN-BYPYZUCNSA-N	0	2	236.215	-0.647	20	70		BBIDLN
C[C@@H](O)CNS(=O)(=O)NCC(F)(F)F	ZINC000160658935	133509473	/nfs/dbraw/zinc/50/94/73/133509473.db2.gz	PYELATLSBGKCCN-SCSAIBSYSA-N	0	2	236.215	-0.647	20	70		BBIDLN
CN(CCO)S(=O)(=O)NCC(F)(F)F	ZINC000160664037	536392358	/nfs/dbraw/zinc/39/23/58/536392358.db2.gz	XIIGKKIWDYEFNE-UHFFFAOYSA-N	0	2	236.215	-0.693	20	70		BBIDLN
CC1(O)CN(S(=O)(=O)NCC(F)(F)F)C1	ZINC000160702779	387553005	/nfs/dbraw/zinc/55/30/05/387553005.db2.gz	FCICWVGKZCYKKZ-UHFFFAOYSA-N	0	2	248.226	-0.550	20	70		BBIDLN
COCC[N@@H+](CCO)CCn1cc[nH+]c1	ZINC000160808707	174292709	/nfs/dbraw/zinc/29/27/09/174292709.db2.gz	KYSUFBCWTSJJIB-UHFFFAOYSA-N	0	2	213.281	-0.176	20	70		BBIDLN