smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CC[N@@H+](C)[C@@H](C)C2)cc1F	ZINC000216663396	568466193	/nfs/dbraw/zinc/46/61/93/568466193.db2.gz	RBEQYYQQGJVPBQ-SFHVURJKSA-N	1	1	408.521	4.131	50	70		HIIAMO
Cc1c2cc(Br)ccc2[nH]c1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217751052	568909551	/nfs/dbraw/zinc/90/95/51/568909551.db2.gz	BHJAVPVHIGROFR-KBXCAEBGSA-N	1	1	404.352	4.233	50	70		HIIAMO
O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1c[nH]nc1-c1ccc(Cl)cc1Cl	ZINC000217752252	569039079	/nfs/dbraw/zinc/03/90/79/569039079.db2.gz	VBBZYELUODTLKI-SCLBCKFNSA-N	1	1	407.345	4.378	50	70		HIIAMO
Cn1nc(-c2ccc(Cl)cc2Cl)cc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217936730	568920279	/nfs/dbraw/zinc/92/02/79/568920279.db2.gz	BODUENCUMVTAHY-IFXJQAMLSA-N	1	1	421.372	4.388	50	70		HIIAMO
COC(=O)C[C@@H](c1cccc2ccccc21)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000218255338	568837080	/nfs/dbraw/zinc/83/70/80/568837080.db2.gz	QFBPCKKNQGNVJX-NRFANRHFSA-N	1	1	421.493	4.180	50	70		HIIAMO
O=c1occ(C[NH+]2CCCCCC2)c([O-])c1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1	ZINC000218165974	568475975	/nfs/dbraw/zinc/47/59/75/568475975.db2.gz	JELUNNKRVACGQX-UHFFFAOYSA-N	1	1	412.505	4.150	50	70		HIIAMO
O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(Br)ccc1-n1cccc1	ZINC000217950823	568920681	/nfs/dbraw/zinc/92/06/81/568920681.db2.gz	ZIAYCBLPFJWYFS-QFBILLFUSA-N	1	1	416.363	4.234	50	70		HIIAMO
CCOc1ccccc1C(=O)N1CCC([N@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217596794	568896549	/nfs/dbraw/zinc/89/65/49/568896549.db2.gz	DMXUYKNMJKRAKI-QHCPKHFHSA-N	1	1	422.569	4.371	50	70		HIIAMO
Cc1ccccc1OCC(=O)N1CCC([N@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217597009	568896468	/nfs/dbraw/zinc/89/64/68/568896468.db2.gz	XZKGJRNZKKPFIV-DEOSSOPVSA-N	1	1	422.569	4.046	50	70		HIIAMO
Cc1cccc(CC(=O)N2CCC([N@H+]3CCC[C@@H]3COCc3ccccc3)CC2)c1	ZINC000217596131	568896564	/nfs/dbraw/zinc/89/65/64/568896564.db2.gz	QOILYUDVIUFGRQ-RUZDIDTESA-N	1	1	406.570	4.210	50	70		HIIAMO
CCOc1ccccc1C(=O)N1CCC([N@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217596701	568896492	/nfs/dbraw/zinc/89/64/92/568896492.db2.gz	DMXUYKNMJKRAKI-HSZRJFAPSA-N	1	1	422.569	4.371	50	70		HIIAMO
O=C(Cc1ccc(F)cc1)N1CCC([N@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217596321	568896587	/nfs/dbraw/zinc/89/65/87/568896587.db2.gz	MGZAKPRBUNCLOH-DEOSSOPVSA-N	1	1	410.533	4.040	50	70		HIIAMO
Cc1ccccc1OCC(=O)N1CCC([N@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217596920	568896578	/nfs/dbraw/zinc/89/65/78/568896578.db2.gz	XZKGJRNZKKPFIV-XMMPIXPASA-N	1	1	422.569	4.046	50	70		HIIAMO
COC(=O)C[C@H](c1cccc2ccccc21)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000218255402	568837144	/nfs/dbraw/zinc/83/71/44/568837144.db2.gz	QFBPCKKNQGNVJX-OAQYLSRUSA-N	1	1	421.493	4.180	50	70		HIIAMO
Cc1cccc(CC(=O)N2CCC([N@H+]3CCC[C@H]3COCc3ccccc3)CC2)c1	ZINC000217596222	568896498	/nfs/dbraw/zinc/89/64/98/568896498.db2.gz	QOILYUDVIUFGRQ-VWLOTQADSA-N	1	1	406.570	4.210	50	70		HIIAMO
O=C(Cc1ccc(F)cc1)N1CCC([N@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217596405	568896542	/nfs/dbraw/zinc/89/65/42/568896542.db2.gz	MGZAKPRBUNCLOH-XMMPIXPASA-N	1	1	410.533	4.040	50	70		HIIAMO