smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4C(=O)C[C@@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C([O-])=C1C(=O)C[C@@H](C)[C@@H]2O	ZINC000008585925	553080481	/nfs/dbraw/zinc/08/04/81/553080481.db2.gz	DRYDKQOPVBDZMQ-MVOCVOKOSA-N	-1	2	638.578	2.164	40	30	in-vitro	KEEBLM
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C([O-])=C4C(=O)C[C@@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C(=O)C1C(=O)C[C@@H](C)[C@@H]2O	ZINC000008585925	553080479	/nfs/dbraw/zinc/08/04/79/553080479.db2.gz	DRYDKQOPVBDZMQ-MVOCVOKOSA-N	-1	2	638.578	2.164	40	30	in-vitro	KEEBLM
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4C(=O)C[C@@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C([O-])=C1C(=O)C[C@H](C)[C@@H]2O	ZINC000008585932	553080750	/nfs/dbraw/zinc/08/07/50/553080750.db2.gz	DRYDKQOPVBDZMQ-BCOCQYLDSA-N	-1	2	638.578	2.164	40	30	biogenic,in-vitro	KEEBLM
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C([O-])=C4C(=O)C[C@@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C(=O)C1C(=O)C[C@H](C)[C@@H]2O	ZINC000008585932	553080748	/nfs/dbraw/zinc/08/07/48/553080748.db2.gz	DRYDKQOPVBDZMQ-BCOCQYLDSA-N	-1	2	638.578	2.164	40	30	biogenic,in-vitro	KEEBLM
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4C(=O)C[C@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C([O-])=C1C(=O)C[C@H](C)[C@@H]2O	ZINC000008585933	553080774	/nfs/dbraw/zinc/08/07/74/553080774.db2.gz	DRYDKQOPVBDZMQ-JKTHDUNSSA-N	-1	2	638.578	2.164	40	30	in-vitro	KEEBLM
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C([O-])=C4C(=O)C[C@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C(=O)C1C(=O)C[C@H](C)[C@@H]2O	ZINC000008585933	553080773	/nfs/dbraw/zinc/08/07/73/553080773.db2.gz	DRYDKQOPVBDZMQ-JKTHDUNSSA-N	-1	2	638.578	2.164	40	30	in-vitro	KEEBLM
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4C(=O)C[C@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C([O-])=C1C(=O)C[C@@H](C)[C@@H]2O	ZINC000008585934	553080755	/nfs/dbraw/zinc/08/07/55/553080755.db2.gz	DRYDKQOPVBDZMQ-GZJWRCBXSA-N	-1	2	638.578	2.164	40	30	in-vitro	KEEBLM
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C([O-])=C4C(=O)C[C@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C(=O)C1C(=O)C[C@@H](C)[C@@H]2O	ZINC000008585934	553080754	/nfs/dbraw/zinc/08/07/54/553080754.db2.gz	DRYDKQOPVBDZMQ-GZJWRCBXSA-N	-1	2	638.578	2.164	40	30	in-vitro	KEEBLM
Cc1ccc(NN=c2[nH]c3nonc3nc2NN=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])cc1	ZINC000408720649	1066389321	/nfs/dbraw/zinc/38/93/21/1066389321.db2.gz	BAGMTVQNECSBNT-ZBKNUEDVSA-N	-1	2	500.273	2.426	40	30		KEEBLM
C#CCOc1c(Cl)cc(C(c2c([O-])n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OC	ZINC000409096826	1066402367	/nfs/dbraw/zinc/40/23/67/1066402367.db2.gz	LFUPQSREWMNXTL-UHFFFAOYSA-N	-1	2	551.046	2.485	40	30		KEEBLM