smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N2CCN(c3cccc[nH+]3)CC2)n1	ZINC000218326007	568478458	/nfs/dbraw/zinc/47/84/58/568478458.db2.gz	LRITXLLJEHFVLL-OAQYLSRUSA-N	1	2	416.529	2.860	50	70		HFIALO
COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1	ZINC000217958270	568920947	/nfs/dbraw/zinc/92/09/47/568920947.db2.gz	NCOZWMOBAAANPD-UYAOXDASSA-N	1	2	423.444	2.906	50	70		HFIALO
Cn1c2ccccc2[nH+]c1CCCCCNC(=O)Cn1ncc2ccccc2c1=O	ZINC000218248538	568476821	/nfs/dbraw/zinc/47/68/21/568476821.db2.gz	USXAAGRMWAQUDA-UHFFFAOYSA-N	1	2	403.486	2.812	50	70		HFIALO
Cn1c2ccccc2[nH+]c1N1CCN(C(=O)CC2(n3cccc3)CCOCC2)CC1	ZINC000218320598	568478338	/nfs/dbraw/zinc/47/83/38/568478338.db2.gz	GTFKAAHWLDRIHD-UHFFFAOYSA-N	1	2	407.518	2.619	50	70		HFIALO
COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1	ZINC000217958191	568920976	/nfs/dbraw/zinc/92/09/76/568920976.db2.gz	NCOZWMOBAAANPD-QUCCMNQESA-N	1	2	423.444	2.906	50	70		HFIALO
Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CC[NH+](CCc2ccccn2)CC1	ZINC000218182139	568476066	/nfs/dbraw/zinc/47/60/66/568476066.db2.gz	AOBUYDGCARRLEK-UHFFFAOYSA-N	1	2	403.530	2.944	50	70		HFIALO
COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1	ZINC000217565290	568472734	/nfs/dbraw/zinc/47/27/34/568472734.db2.gz	NCPXALZWXBXALK-ANULTFPQSA-N	1	2	404.466	2.839	50	70		HFIALO
COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1	ZINC000217565290	568472735	/nfs/dbraw/zinc/47/27/35/568472735.db2.gz	NCPXALZWXBXALK-ANULTFPQSA-N	1	2	404.466	2.839	50	70		HFIALO
COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(F)cc4)[C@H]3C2=O)cc1	ZINC000217601193	569039039	/nfs/dbraw/zinc/03/90/39/569039039.db2.gz	YFJVTDOSLWIELC-FYQPLNBISA-N	1	2	408.429	2.669	50	70		HFIALO
COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(F)cc4)[C@H]3C2=O)cc1	ZINC000217601193	569039040	/nfs/dbraw/zinc/03/90/40/569039040.db2.gz	YFJVTDOSLWIELC-FYQPLNBISA-N	1	2	408.429	2.669	50	70		HFIALO
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3cccc[nH+]3)CC2)n1	ZINC000218326079	568478523	/nfs/dbraw/zinc/47/85/23/568478523.db2.gz	LRITXLLJEHFVLL-NRFANRHFSA-N	1	2	416.529	2.860	50	70		HFIALO
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCCc1c[nH+]c[nH]1)C(=O)OC2	ZINC000217842106	568915879	/nfs/dbraw/zinc/91/58/79/568915879.db2.gz	ALEVTASLMSMTAJ-YIXHJXPBSA-N	1	2	413.474	2.731	50	70	biogenic	HFIALO
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCCc1c[nH]c[nH+]1)C(=O)OC2	ZINC000217842106	568915882	/nfs/dbraw/zinc/91/58/82/568915882.db2.gz	ALEVTASLMSMTAJ-YIXHJXPBSA-N	1	2	413.474	2.731	50	70	biogenic	HFIALO
COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1	ZINC000217958101	568921090	/nfs/dbraw/zinc/92/10/90/568921090.db2.gz	NCOZWMOBAAANPD-AZUAARDMSA-N	1	2	423.444	2.906	50	70		HFIALO
COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1	ZINC000217958025	568921034	/nfs/dbraw/zinc/92/10/34/568921034.db2.gz	NCOZWMOBAAANPD-ICSRJNTNSA-N	1	2	423.444	2.906	50	70		HFIALO