smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)Cc1c(=O)c(O)c(O)c2c(O)cc(-c3ccc(O)cc3)oc1-2	ZINC000095563681	203761941	/nfs/dbraw/zinc/76/19/41/203761941.db2.gz	BHQURWVVUKBNJG-UHFFFAOYSA-N	1	2	343.335	2.344	1	10		EECFLO
[18F]c1ccc(C[NH+]2CCN(c3ccc4c(c3)OCCO4)CC2)cn1	ZINC000102899933	219239649	/nfs/dbraw/zinc/23/96/49/219239649.db2.gz	NAIGOHVHPOGNLZ-AWDFDDCISA-N	1	2	328.378	2.314	1	10		EECFLO
O=c1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)oc2ccc(O)c(O)c12	ZINC000071341603	203093133	/nfs/dbraw/zinc/09/31/33/203093133.db2.gz	SSQVVLPPXFYQDX-UHFFFAOYSA-N	1	2	342.307	2.402	1	10		EECFLO
O=c1c(O)ccc2oc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc(O)c1-2	ZINC000071341603	203093136	/nfs/dbraw/zinc/09/31/36/203093136.db2.gz	SSQVVLPPXFYQDX-UHFFFAOYSA-N	1	2	342.307	2.402	1	10		EECFLO
COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@H](C2)[N@H+](C)C[C@H]3O	ZINC000095099636	560062095	/nfs/dbraw/zinc/06/20/95/560062095.db2.gz	FHTBRYUTSCDWRN-GXTWGEPZSA-N	1	2	343.379	2.358	1	10	biogenic,in-vitro	EECFLO
COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@H](C2)[N@@H+](C)C[C@H]3O	ZINC000095099636	560062096	/nfs/dbraw/zinc/06/20/96/560062096.db2.gz	FHTBRYUTSCDWRN-GXTWGEPZSA-N	1	2	343.379	2.358	1	10	biogenic,in-vitro	EECFLO
Fc1ccc(C[NH+]2CCN(c3ccc4c(c3)OCCO4)CC2)cn1	ZINC000073158007	216358537	/nfs/dbraw/zinc/35/85/37/216358537.db2.gz	NAIGOHVHPOGNLZ-UHFFFAOYSA-N	1	2	329.375	2.314	1	10		EECFLO
COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@H](C2)[N@H+](C)C[C@@H]3O	ZINC000095099635	560062115	/nfs/dbraw/zinc/06/21/15/560062115.db2.gz	FHTBRYUTSCDWRN-JSGCOSHPSA-N	1	2	343.379	2.358	1	10	biogenic,in-vitro	EECFLO
COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@H](C2)[N@@H+](C)C[C@@H]3O	ZINC000095099635	560062117	/nfs/dbraw/zinc/06/21/17/560062117.db2.gz	FHTBRYUTSCDWRN-JSGCOSHPSA-N	1	2	343.379	2.358	1	10	biogenic,in-vitro	EECFLO