smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CC[NH+]1CCCC[C@@H]1CCO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[N@@H+]3CCCC[C@@H]3CCO)cc1C2=O	ZINC000005842038	561699310	/nfs/dbraw/zinc/69/93/10/561699310.db2.gz	YKBHEXWPSXNYDC-CLJLJLNGSA-N	2	1	604.748	3.593	1	10		KHCFMP
O=C(CC[NH+]1CCCC[C@@H]1CCO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[N@H+]3CCCC[C@H]3CCO)cc1C2=O	ZINC000005842049	561699270	/nfs/dbraw/zinc/69/92/70/561699270.db2.gz	YKBHEXWPSXNYDC-WMPKNSHKSA-N	2	1	604.748	3.593	1	10		KHCFMP
O=C(CC[NH+]1CCCC[C@@H]1CCO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[N@@H+]3CCCC[C@H]3CCO)cc1C2=O	ZINC000005842049	561699269	/nfs/dbraw/zinc/69/92/69/561699269.db2.gz	YKBHEXWPSXNYDC-WMPKNSHKSA-N	2	1	604.748	3.593	1	10		KHCFMP
O=C(CC[NH+]1CCCC[C@H]1CCO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[N@@H+]3CCCC[C@@H]3CCO)cc1C2=O	ZINC000005842049	561699268	/nfs/dbraw/zinc/69/92/68/561699268.db2.gz	YKBHEXWPSXNYDC-WMPKNSHKSA-N	2	1	604.748	3.593	1	10		KHCFMP
COc1ccc2c(COC(=O)Cc3cc(C[NH+]4CCCC4)c(O)c(C[NH+]4CCCC4)c3)cc(=O)oc2c1	ZINC000026500689	561795376	/nfs/dbraw/zinc/79/53/76/561795376.db2.gz	OPPWHZSMKPJNMR-UHFFFAOYSA-N	2	1	506.599	3.985	1	10		KHCFMP
O=C(CC[NH+]1CCCC[C@@H]1CCO)Nc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2CCO)c2c1C(=O)c1ccccc1C2=O	ZINC000027987191	561892343	/nfs/dbraw/zinc/89/23/43/561892343.db2.gz	PCOZGHCAWLSNBU-PSWAGMNNSA-N	2	1	604.748	3.593	1	10		KHCFMP
O=C(CC[NH+]1CCCC[C@@H]1CCO)Nc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CCO)c2c1C(=O)c1ccccc1C2=O	ZINC000027987191	561892341	/nfs/dbraw/zinc/89/23/41/561892341.db2.gz	PCOZGHCAWLSNBU-PSWAGMNNSA-N	2	1	604.748	3.593	1	10		KHCFMP
O=C(CC[NH+]1CCCC[C@H]1CCO)Nc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CCO)c2c1C(=O)c1ccccc1C2=O	ZINC000027987191	561892339	/nfs/dbraw/zinc/89/23/39/561892339.db2.gz	PCOZGHCAWLSNBU-PSWAGMNNSA-N	2	1	604.748	3.593	1	10		KHCFMP
O=C(CC[NH+]1CCCC[C@@H]1CCO)Nc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CCO)c2c1C(=O)c1ccccc1C2=O	ZINC000027987198	561892309	/nfs/dbraw/zinc/89/23/09/561892309.db2.gz	PCOZGHCAWLSNBU-DNQXCXABSA-N	2	1	604.748	3.593	1	10		KHCFMP
Cc1ccccc1[C@@H]1C[N@@H+](CCCc2cn(CCC[NH+]3CCN(c4ncccn4)CC3)nn2)CCc2cc(O)c(O)cc21	ZINC000049695592	562670808	/nfs/dbraw/zinc/67/08/08/562670808.db2.gz	MCIVXTTWLGGWCA-PMERELPUSA-N	2	1	582.753	3.623	1	10		KHCFMP
Cc1ccccc1[C@H]1C[N@@H+](CCCc2cn(CCC[NH+]3CCN(c4ncccn4)CC3)nn2)CCc2cc(O)c(O)cc21	ZINC000049695593	562670782	/nfs/dbraw/zinc/67/07/82/562670782.db2.gz	MCIVXTTWLGGWCA-SSEXGKCCSA-N	2	1	582.753	3.623	1	10		KHCFMP
Cc1cccc([C@@H]2C[N@@H+](CCCc3cn(CCC[NH+]4CCN(c5ncccn5)CC4)nn3)CCc3cc(O)c(O)cc32)c1	ZINC000049709007	562671147	/nfs/dbraw/zinc/67/11/47/562671147.db2.gz	LFKIBYQDTRIPSY-PMERELPUSA-N	2	1	582.753	3.623	1	10		KHCFMP
Cc1cccc([C@H]2C[N@@H+](CCCc3cn(CCC[NH+]4CCN(c5ncccn5)CC4)nn3)CCc3cc(O)c(O)cc32)c1	ZINC000049709010	562671181	/nfs/dbraw/zinc/67/11/81/562671181.db2.gz	LFKIBYQDTRIPSY-SSEXGKCCSA-N	2	1	582.753	3.623	1	10		KHCFMP
CC[NH2+][C@@H]1C=C[C@@H](CC)C[C@H]1COC(=O)[C@]12O[C@@]1(CC=C(C)C[C@@H](NC(=[NH2+])NC)c1ccnc(NC[NH2+]C)c1)C(=O)c1ccccc1C2=O	ZINC000085592615	565148497	/nfs/dbraw/zinc/14/84/97/565148497.db2.gz	KILJBYNTDPGFBA-XWLGJYLTSA-N	3	1	671.843	3.892	1	10	biogenic,in-vitro	KHCFMP
CCCC[C@H](C[NH2+]CC)COC(=O)[C@]12O[C@@]1(CC=C(C)C[C@@H](NC(=[NH2+])NC)c1ccnc(NC[NH2+]C)c1)C(=O)c1ccccc1C2=O	ZINC000085592637	565148436	/nfs/dbraw/zinc/14/84/36/565148436.db2.gz	UWAWWQVYOMDYTG-MHSZNRCBSA-N	3	1	647.821	3.728	1	10	biogenic,in-vitro	KHCFMP
CCCC[C@H](C[NH2+]CC)COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NC[NH2+]C)c1)C(=O)c1ccccc1C2=O	ZINC000085592638	565148465	/nfs/dbraw/zinc/14/84/65/565148465.db2.gz	JUAUWIFSSYMYHN-NJSOFMTHSA-N	2	1	606.764	3.848	1	10	biogenic,in-vitro	KHCFMP
CN1CCN(c2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]Cc3ccc(O)c(C[NH+]4CCCCC4)c3)cc2)CC1	ZINC000095590498	562775262	/nfs/dbraw/zinc/77/52/62/562775262.db2.gz	SVSIIBDQAVPAQJ-UZNNEEJFSA-N	2	1	585.793	3.622	1	10		KHCFMP