smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(O)c(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1OC	ZINC000872256470	1210183977	/nfs/dbraw/zinc/18/39/77/1210183977.db2.gz	UOUCUSWAEMUCDL-XNJGSVPQSA-N	1	3	363.414	0.776	10	10		FCCEHO
O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2cc3c(cc2O)OCO3)CC1	ZINC000863642792	1209947085	/nfs/dbraw/zinc/94/70/85/1209947085.db2.gz	XVXPIYUATXGCGX-DYVFJYSZSA-N	1	3	361.398	0.878	10	10		FCCEHO
COc1cc(O)c(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1OC	ZINC000872256468	1210183274	/nfs/dbraw/zinc/18/32/74/1210183274.db2.gz	UOUCUSWAEMUCDL-AHIWAGSCSA-N	1	3	363.414	0.776	10	10		FCCEHO
COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]4C[N@H+](C)C[C@@H]43)CC2)cc1	ZINC000794929562	1209999692	/nfs/dbraw/zinc/99/96/92/1209999692.db2.gz	MDDJLZFWIJHVLI-CUWPLCDZSA-N	1	3	374.529	0.814	10	10		FCCEHO
COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]4C[N@@H+](C)C[C@@H]43)CC2)cc1	ZINC000794929562	1209999696	/nfs/dbraw/zinc/99/96/96/1209999696.db2.gz	MDDJLZFWIJHVLI-CUWPLCDZSA-N	1	3	374.529	0.814	10	10		FCCEHO
COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H]4C[N@H+](C)C[C@H]43)CC2)cc1	ZINC000794929565	1209999831	/nfs/dbraw/zinc/99/98/31/1209999831.db2.gz	MDDJLZFWIJHVLI-SLYNCCJLSA-N	1	3	374.529	0.814	10	10		FCCEHO
COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H]4C[N@@H+](C)C[C@H]43)CC2)cc1	ZINC000794929565	1209999834	/nfs/dbraw/zinc/99/98/34/1209999834.db2.gz	MDDJLZFWIJHVLI-SLYNCCJLSA-N	1	3	374.529	0.814	10	10		FCCEHO
CN1CCN(c2ccc(CN3CCN(CC[NH+](C)C)C(=O)C3)cc2)CC1	ZINC000846011052	1204575905	/nfs/dbraw/zinc/57/59/05/1204575905.db2.gz	JJPKMNPOMDAWHV-UHFFFAOYSA-N	1	3	359.518	0.644	10	10		FCCEHO
COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H]4C[N@H+](C)C[C@@H]43)CC2)cc1	ZINC000794929564	1209999376	/nfs/dbraw/zinc/99/93/76/1209999376.db2.gz	MDDJLZFWIJHVLI-LMNJBCLMSA-N	1	3	374.529	0.814	10	10		FCCEHO
COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H]4C[N@@H+](C)C[C@@H]43)CC2)cc1	ZINC000794929564	1209999377	/nfs/dbraw/zinc/99/93/77/1209999377.db2.gz	MDDJLZFWIJHVLI-LMNJBCLMSA-N	1	3	374.529	0.814	10	10		FCCEHO
O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	ZINC000872254557	1210182154	/nfs/dbraw/zinc/18/21/54/1210182154.db2.gz	HKHBIDTUGWNUTM-GBESFXJTSA-N	1	3	372.469	0.890	10	10		FCCEHO
O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	ZINC000872254555	1210182465	/nfs/dbraw/zinc/18/24/65/1210182465.db2.gz	HKHBIDTUGWNUTM-CEXWTWQISA-N	1	3	372.469	0.890	10	10		FCCEHO
COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]4C[N@H+](C)C[C@H]43)CC2)cc1	ZINC000794929563	1209999471	/nfs/dbraw/zinc/99/94/71/1209999471.db2.gz	MDDJLZFWIJHVLI-HFSMHLIXSA-N	1	3	374.529	0.814	10	10		FCCEHO
COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]4C[N@@H+](C)C[C@H]43)CC2)cc1	ZINC000794929563	1209999477	/nfs/dbraw/zinc/99/94/77/1209999477.db2.gz	MDDJLZFWIJHVLI-HFSMHLIXSA-N	1	3	374.529	0.814	10	10		FCCEHO
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)NCc1ccc(N(C)C)cc1)C2	ZINC000903492419	1218426722	/nfs/dbraw/zinc/42/67/22/1218426722.db2.gz	CKTQYEDIVDONGW-YRNRMSPPSA-N	1	3	374.485	0.581	10	10		FCCEHO