smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCCC[NH+]1CCOCC1	ZINC000006193395	552565384	/nfs/dbraw/zinc/56/53/84/552565384.db2.gz	SHBJQNDDDGUWTJ-UHFFFAOYSA-N	2	1	503.669	1.997	40	0		KDABMP
C[NH+](C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NCCC[NH+]1CCOCC1	ZINC000006198451	552570220	/nfs/dbraw/zinc/57/02/20/552570220.db2.gz	IOEJRNVQUIMANA-UHFFFAOYSA-N	2	1	503.669	1.650	40	0		KDABMP
COc1cc(C[N@H+]2CC[C@@](O)(CNC(=O)c3cscn3)[C@H](O)C2)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585271817	1066216948	/nfs/dbraw/zinc/21/69/48/1066216948.db2.gz	HWSAVHAUMKOSAE-AOYPEHQESA-N	2	1	518.680	1.990	40	0		KDABMP
COc1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)c3cscn3)[C@H](O)C2)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585271817	1066216933	/nfs/dbraw/zinc/21/69/33/1066216933.db2.gz	HWSAVHAUMKOSAE-AOYPEHQESA-N	2	1	518.680	1.990	40	0		KDABMP
COc1cc(C[N@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585274411	1066218110	/nfs/dbraw/zinc/21/81/10/1066218110.db2.gz	WFLUWJLLDGCBGJ-NOZRDPDXSA-N	2	1	504.653	1.600	40	0		KDABMP
COc1cc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585274411	1066218100	/nfs/dbraw/zinc/21/81/00/1066218100.db2.gz	WFLUWJLLDGCBGJ-NOZRDPDXSA-N	2	1	504.653	1.600	40	0		KDABMP
COc1cc(C[N@H+]2CC[C@@](O)(CNC(=O)c3cnc[nH]3)[C@H](O)C2)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585274786	1066217103	/nfs/dbraw/zinc/21/71/03/1066217103.db2.gz	ZPJKOMADAYMCRV-AOYPEHQESA-N	2	1	501.628	1.257	40	0		KDABMP
COc1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)c3cnc[nH]3)[C@H](O)C2)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585274786	1066217090	/nfs/dbraw/zinc/21/70/90/1066217090.db2.gz	ZPJKOMADAYMCRV-AOYPEHQESA-N	2	1	501.628	1.257	40	0		KDABMP