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+]1CC[C@]23c4c5c(O)ccc4C[C@H]1[C@@]2(O)CC/C(=N/N=C1/CC[C@]2(O)[C@@H]4Cc6ccc(O)c7c6[C@]2(CC[N@@H+]4C)[C@@H]1O7)[C@H]3O5	ZINC000084586472	553677716	/nfs/dbraw/zinc/67/77/16/553677716.db2.gz	WKXKOQQVFYOJBC-OECQYWHZSA-N	2	1	598.700	2.163	40	30		KEEBMP
C[NH+]1CC[C@]23c4c5c(O)ccc4C[C@H]1[C@@]2(O)CC/C(=N\N=C1\CC[C@]2(O)[C@@H]4Cc6ccc(O)c7c6[C@]2(CC[N@H+]4C)[C@@H]1O7)[C@H]3O5	ZINC000084586473	553677648	/nfs/dbraw/zinc/67/76/48/553677648.db2.gz	WKXKOQQVFYOJBC-IXOFVEOYSA-N	2	1	598.700	2.163	40	30		KEEBMP
C[NH+]1CC[C@]23c4c5c(O)ccc4C[C@H]1[C@@]2(O)CC/C(=N\N=C1\CC[C@]2(O)[C@@H]4Cc6ccc(O)c7c6[C@]2(CC[N@@H+]4C)[C@@H]1O7)[C@H]3O5	ZINC000084586473	553677645	/nfs/dbraw/zinc/67/76/45/553677645.db2.gz	WKXKOQQVFYOJBC-IXOFVEOYSA-N	2	1	598.700	2.163	40	30		KEEBMP
C[NH+]1CC[C@]23c4c5c(O)ccc4C[C@H]1[C@@]2(O)CC/C(=N/N=C1\CC[C@]2(O)[C@@H]4Cc6ccc(O)c7c6[C@]2(CC[N@@H+]4C)[C@@H]1O7)[C@H]3O5	ZINC000084586473	553677642	/nfs/dbraw/zinc/67/76/42/553677642.db2.gz	WKXKOQQVFYOJBC-IXOFVEOYSA-N	2	1	598.700	2.163	40	30		KEEBMP
C[NH+]1CC[C@]23c4c5c(O)ccc4C[C@H]1[C@@]2(O)CC/C(=N\N=C1/CC[C@]2(O)[C@@H]4Cc6ccc(O)c7c6[C@]2(CC[N@@H+]4C)[C@@H]1O7)[C@H]3O5	ZINC000084586476	553677709	/nfs/dbraw/zinc/67/77/09/553677709.db2.gz	WKXKOQQVFYOJBC-VZRREZECSA-N	2	1	598.700	2.163	40	30		KEEBMP