smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000029475699	581096337	/nfs/dbraw/zinc/09/63/37/581096337.db2.gz	UDCDKGHUDICLCJ-LRDDRELGSA-N	-1	0	419.459	0.264	1	0		HCAFRM
[NH3+][C@@H](Cn1cc(C(F)(F)F)c(=O)n(Cc2ccsc2C(=O)[O-])c1=O)C(=O)[O-]	ZINC000035324095	581100991	/nfs/dbraw/zinc/10/09/91/581100991.db2.gz	HKSQGDWOBVXCCP-QMMMGPOBSA-N	-1	0	407.326	0.249	1	0		HCAFRM
O=C([O-])[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000065748610	291184978	/nfs/dbraw/zinc/18/49/78/291184978.db2.gz	QWSAYEBSTMCFKY-WPQPILLISA-N	-1	0	404.371	0.539	1	0	biogenic,in-vitro	HCAFRM
O=C([O-])[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000065748613	291184976	/nfs/dbraw/zinc/18/49/76/291184976.db2.gz	QWSAYEBSTMCFKY-CBNORAOZSA-N	-1	0	404.371	0.539	1	0	biogenic,in-vitro	HCAFRM
O=C([O-])[C@@H]1O[C@H](Oc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000065748623	291184966	/nfs/dbraw/zinc/18/49/66/291184966.db2.gz	CDEBVTGYVFHDMA-WPQPILLISA-N	-1	0	404.371	0.539	1	0	biogenic,in-vitro	HCAFRM
O=C([O-])[C@@H]1O[C@@H](Oc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000065748624	291184544	/nfs/dbraw/zinc/18/45/44/291184544.db2.gz	CDEBVTGYVFHDMA-VZNLOQTISA-N	-1	0	404.371	0.539	1	0	biogenic,in-vitro	HCAFRM
O=C([O-])[C@@H]1O[C@H](Oc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000065748625	291184980	/nfs/dbraw/zinc/18/49/80/291184980.db2.gz	CDEBVTGYVFHDMA-CBNORAOZSA-N	-1	0	404.371	0.539	1	0	biogenic,in-vitro	HCAFRM
O=C([O-])[C@@H]1O[C@@H](Oc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000065748626	291184545	/nfs/dbraw/zinc/18/45/45/291184545.db2.gz	CDEBVTGYVFHDMA-AXDMLDLVSA-N	-1	0	404.371	0.539	1	0	biogenic,in-vitro	HCAFRM
O=C([O-])c1c(O)cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1CCc1ccc(O)cc1	ZINC000095910011	291184967	/nfs/dbraw/zinc/18/49/67/291184967.db2.gz	ORXNXXPOXDISDY-QEEHTWDDSA-N	-1	0	406.387	0.399	1	0	biogenic,in-vitro	HCAFRM
O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)oc2cc([O-])ccc12	ZINC000095918697	291186847	/nfs/dbraw/zinc/18/68/47/291186847.db2.gz	GSZUGBAEBARHAW-YMQHIKHWSA-N	-1	0	416.382	0.344	1	0	biogenic,in-vitro	HCAFRM
CC(C)C[C@H]1NC2(C(=O)[N-]C(=O)NC2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12	ZINC000015303359	558731138	/nfs/dbraw/zinc/73/11/38/558731138.db2.gz	MNTDDKVNIABPOK-AGIUHOORSA-N	-1	0	418.837	0.568	2	0		HCAFRM
CC(C)C[C@H]1NC2(C(=O)[N-]C(=O)NC2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12	ZINC000100138617	559130324	/nfs/dbraw/zinc/13/03/24/559130324.db2.gz	MNTDDKVNIABPOK-UPJWGTAASA-N	-1	0	418.837	0.568	2	0		HCAFRM