smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4cc(c(OC)cc4CC[N+]1(C)C)Oc1cc(ccc1[O-])C[C@@H]3[N+](C)(C)CC2	ZINC000008582161	553078294	/nfs/dbraw/zinc/07/82/94/553078294.db2.gz	PXXYOLIWFSWZNP-IHLOFXLRSA-P	1	3	624.778	6.846	40	5	in-vitro	KKBBHO
COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4cc(c(OC)cc4CC[N+]1(C)C)Oc1cc(ccc1[O-])C[C@H]3[N+](C)(C)CC2	ZINC000003953947	552423513	/nfs/dbraw/zinc/42/35/13/552423513.db2.gz	PXXYOLIWFSWZNP-LOYHVIPDSA-P	1	3	624.778	6.846	40	5	biogenic,in-vitro	KKBBHO
COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CC[N+]1(C)C)Oc1cc(ccc1[O-])C[C@@H]3[N+](C)(C)CC2	ZINC000008582160	553078467	/nfs/dbraw/zinc/07/84/67/553078467.db2.gz	PXXYOLIWFSWZNP-KYJUHHDHSA-P	1	3	624.778	6.846	40	5	in-vitro	KKBBHO
CCN(CC)CCN(C(=O)OCCOC(=O)N(CC[NH+](CC)CC)c1cccc2sc3ccccc3c(=O)c21)c1cccc2sc3ccccc3c(=O)c21	ZINC000150391356	571473620	/nfs/dbraw/zinc/47/36/20/571473620.db2.gz	KDVRTSIMMDQTOP-UHFFFAOYSA-N	1	3	766.986	8.413	40	5		KKBBHO