smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1ccccc1C(F)(F)F	ZINC000159375970	206223847	/nfs/dbraw/zinc/22/38/47/206223847.db2.gz	UIPWXQZBZKGAES-LBPRGKRZSA-N	-1	0	371.384	2.658	50	70		FFIARM
O=C([N-]S(=O)(=O)Cc1ccccc1Cl)[C@H]1OCCc2ccccc21	ZINC000161143321	509076738	/nfs/dbraw/zinc/07/67/38/509076738.db2.gz	HKTZJVYODHVZNX-INIZCTEOSA-N	-1	0	365.838	2.600	50	70		FFIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccncc1	ZINC000218076093	571352341	/nfs/dbraw/zinc/35/23/41/571352341.db2.gz	YEDWDLRGYCMXGV-LBPRGKRZSA-N	-1	0	365.341	2.846	50	70	biogenic	FFIARM
COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c([O-])c2ccccc2oc1=O	ZINC000217636352	209658066	/nfs/dbraw/zinc/65/80/66/209658066.db2.gz	TYXWIUAEXKAKPE-CYBMUJFWSA-N	-1	0	370.357	2.908	50	70	biogenic	FFIARM
Cc1nc(N2CCCn3nc([C@@H](O)C4CCC4)cc3C2)c(Cl)c(=O)[n-]1	ZINC000218767302	509282330	/nfs/dbraw/zinc/28/23/30/509282330.db2.gz	FQSMQZIUWGHIIX-HNNXBMFYSA-N	-1	0	363.849	2.584	50	70		FFIARM
Cc1nc(N2CCCn3nc([C@H](O)C4CCC4)cc3C2)c(Cl)c(=O)[n-]1	ZINC000218767340	509281727	/nfs/dbraw/zinc/28/17/27/509281727.db2.gz	FQSMQZIUWGHIIX-OAHLLOKOSA-N	-1	0	363.849	2.584	50	70		FFIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cccnc1	ZINC000217759922	509272424	/nfs/dbraw/zinc/27/24/24/509272424.db2.gz	UBDAJGFPNSKUAD-GFCCVEGCSA-N	-1	0	365.341	2.846	50	70	biogenic	FFIARM
O=C(NCCc1nnc2ccccn21)c1cnc2ccc(Cl)cc2c1O	ZINC000218216444	509275144	/nfs/dbraw/zinc/27/51/44/509275144.db2.gz	VIDRUFLNZDUAPN-UHFFFAOYSA-N	-1	0	367.796	2.609	50	70		FFIARM
COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c([O-])c2ccccc2oc1=O	ZINC000217636444	509271731	/nfs/dbraw/zinc/27/17/31/509271731.db2.gz	TYXWIUAEXKAKPE-ZDUSSCGKSA-N	-1	0	370.357	2.908	50	70	biogenic	FFIARM
O=C([N-]S(=O)(=O)Cc1ccccc1Cl)[C@@H]1OCCc2ccccc21	ZINC000161143456	222554984	/nfs/dbraw/zinc/55/49/84/222554984.db2.gz	HKTZJVYODHVZNX-MRXNPFEDSA-N	-1	0	365.838	2.600	50	70		FFIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cccnc1	ZINC000217759845	222674480	/nfs/dbraw/zinc/67/44/80/222674480.db2.gz	UBDAJGFPNSKUAD-LBPRGKRZSA-N	-1	0	365.341	2.846	50	70	biogenic	FFIARM
COC(=O)C[C@@H](c1cc2c(c(Cl)c1)OCO2)c1c([O-])cc(C)oc1=O	ZINC000218042948	571352230	/nfs/dbraw/zinc/35/22/30/571352230.db2.gz	IMRHPHAPYZMLPM-JTQLQIEISA-N	-1	0	366.753	2.731	50	70	biogenic	FFIARM
O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1ccccc1C(F)(F)F	ZINC000159375865	206224185	/nfs/dbraw/zinc/22/41/85/206224185.db2.gz	UIPWXQZBZKGAES-GFCCVEGCSA-N	-1	0	371.384	2.658	50	70		FFIARM
O=S(=O)([N-]c1cnn(CC2CCOCC2)c1)c1ccc(F)c(Cl)c1	ZINC000218242958	509274908	/nfs/dbraw/zinc/27/49/08/509274908.db2.gz	KKRBYQMPTLWNAE-UHFFFAOYSA-N	-1	0	373.837	2.903	50	70		FFIARM
O=C(NCCc1nc([O-])cc(=O)[nH]1)c1ccccc1Oc1ccccc1	ZINC000218214963	526459827	/nfs/dbraw/zinc/45/98/27/526459827.db2.gz	FHZHZHSWMNAEGA-UHFFFAOYSA-N	-1	0	351.362	2.653	50	70		FFIARM
COC(=O)C[C@H](c1cc2c(c(Cl)c1)OCO2)c1c([O-])cc(C)oc1=O	ZINC000218042859	571352236	/nfs/dbraw/zinc/35/22/36/571352236.db2.gz	IMRHPHAPYZMLPM-SNVBAGLBSA-N	-1	0	366.753	2.731	50	70	biogenic	FFIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccncc1	ZINC000218076180	222677885	/nfs/dbraw/zinc/67/78/85/222677885.db2.gz	YEDWDLRGYCMXGV-GFCCVEGCSA-N	-1	0	365.341	2.846	50	70	biogenic	FFIARM