smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)COc1cccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c1	ZINC000169341023	206252277	/nfs/dbraw/zinc/25/22/77/206252277.db2.gz	SFYXCISZCOXLBJ-YHYXMXQVSA-N	-1	0	352.393	0.837	1	10		FCCFRM
COc1cccc([C@H]2[NH2+][C@@](C)(C(=O)[O-])[C@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1O	ZINC000103004792	206233181	/nfs/dbraw/zinc/23/31/81/206233181.db2.gz	WNPOIOPYLLSBQR-NVAPZFDKSA-N	-1	0	362.382	0.898	1	10		FCCFRM
Nc1ccc(Cn2c3ccccc3n3c2nn(CC(=O)[O-])c(=O)c3=O)cc1	ZINC000049055135	205168364	/nfs/dbraw/zinc/16/83/64/205168364.db2.gz	AXCUBEWIUVOPBX-UHFFFAOYSA-N	-1	0	365.349	0.526	1	10		FCCFRM
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CCC(=O)[O-])O2)c(=O)[nH]c1=O	ZINC000028264949	207956271	/nfs/dbraw/zinc/95/62/71/207956271.db2.gz	XJDAUWWEZSQXKM-IVZWLZJFSA-N	-1	0	367.318	0.219	1	10		FCCFRM
O=C([O-])[C@H](CC1=C[C@H](O)[C@@H](O)C=C1)OC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000059587102	291030754	/nfs/dbraw/zinc/03/07/54/291030754.db2.gz	DOPYBEVEZJGNTE-OTZVLWSPSA-N	-1	0	362.334	0.716	1	10	biogenic,in-vitro	FCCFRM
C=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O	ZINC000085644930	291025170	/nfs/dbraw/zinc/02/51/70/291025170.db2.gz	IDZRBGGDHWNBOK-IWBXPOHASA-N	-1	0	352.339	0.197	1	10	biogenic,in-vitro	FCCFRM
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@](=O)([O-])CF)O2)c(=O)[nH]c1=O	ZINC000029250505	518191406	/nfs/dbraw/zinc/19/14/06/518191406.db2.gz	KPIKVMNXFPFZIB-IWSPIJDZSA-N	-1	0	363.242	0.940	1	10		FCCFRM
CCC[C@H]1O[C@H](CC(=O)[O-])C[C@]2(O)C(=O)c3cccc(O)c3C(=O)[C@@]12O	ZINC000096921448	222139942	/nfs/dbraw/zinc/13/99/42/222139942.db2.gz	XDYYASNFOIEXFT-LGIYFBNJSA-N	-1	0	364.350	0.666	1	10		FCCFRM
CCC(=O)N[C@@H](CCCNC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000096928430	222141726	/nfs/dbraw/zinc/14/17/26/222141726.db2.gz	CWBAAAJXTKJIRX-WMADIVHISA-N	-1	0	350.371	0.987	1	10		FCCFRM
CCC[C@H]1O[C@H](CC(=O)[O-])C[C@@]2(O)C(=O)c3cccc(O)c3C(=O)[C@@]12O	ZINC000096921447	222140483	/nfs/dbraw/zinc/14/04/83/222140483.db2.gz	XDYYASNFOIEXFT-KSVPUCKHSA-N	-1	0	364.350	0.666	1	10		FCCFRM