smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCCc3c[nH+]c[nH]3)[C@H]21	ZINC000217711275	569881120	/nfs/dbraw/zinc/88/11/20/569881120.db2.gz	WNFWOJYURUNPSY-DEOSSOPVSA-N	1	2	489.532	2.681	50	70	biogenic	JFIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCCc3c[nH]c[nH+]3)[C@H]21	ZINC000217711275	569881121	/nfs/dbraw/zinc/88/11/21/569881121.db2.gz	WNFWOJYURUNPSY-DEOSSOPVSA-N	1	2	489.532	2.681	50	70	biogenic	JFIALO
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(-c2n[nH]c(Cn3cc[nH+]c3)n2)c1	ZINC000218199936	569882999	/nfs/dbraw/zinc/88/29/99/569882999.db2.gz	GSCJXMKUTZTMHK-GOSISDBHSA-N	1	2	474.477	2.974	50	70		JFIALO
O=C1Nc2c(cccc2C(F)(F)F)[C@@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217728620	569881222	/nfs/dbraw/zinc/88/12/22/569881222.db2.gz	HYBOVSJRJVUKAN-ZFTZODIFSA-N	1	2	485.418	2.865	50	70		JFIALO
O=C1Nc2c(cccc2C(F)(F)F)[C@@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000217728620	569881223	/nfs/dbraw/zinc/88/12/23/569881223.db2.gz	HYBOVSJRJVUKAN-ZFTZODIFSA-N	1	2	485.418	2.865	50	70		JFIALO
O=c1occ(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(O)c1CN1CCOCC1	ZINC000218151185	569882945	/nfs/dbraw/zinc/88/29/45/569882945.db2.gz	YFBFNVFCVILBSD-UHFFFAOYSA-N	1	2	454.354	2.807	50	70		JFIALO
CC(C)(C)OC(=O)N1CCN(Cc2oc(C[N@@H+]3CCc4ccccc4C3)cc(=O)c2O)CC1	ZINC000218291970	569883197	/nfs/dbraw/zinc/88/31/97/569883197.db2.gz	PROTXRSAUCDEEL-UHFFFAOYSA-N	1	2	455.555	2.956	50	70		JFIALO
CC(C)(C)OC(=O)N1CCN(Cc2oc(C[N@H+]3CCc4ccccc4C3)cc(=O)c2O)CC1	ZINC000218291970	569883198	/nfs/dbraw/zinc/88/31/98/569883198.db2.gz	PROTXRSAUCDEEL-UHFFFAOYSA-N	1	2	455.555	2.956	50	70		JFIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCCn3cc[nH+]c3)[C@H]21	ZINC000217870827	569881962	/nfs/dbraw/zinc/88/19/62/569881962.db2.gz	JERCWRIBAHQFFK-DEOSSOPVSA-N	1	2	489.532	2.612	50	70	biogenic	JFIALO
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-c2n[nH]c(Cn3cc[nH+]c3)n2)c1	ZINC000218200012	569883014	/nfs/dbraw/zinc/88/30/14/569883014.db2.gz	GSCJXMKUTZTMHK-SFHVURJKSA-N	1	2	474.477	2.974	50	70		JFIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCCc3c[nH+]c[nH]3)[C@@H]21	ZINC000217711349	569881200	/nfs/dbraw/zinc/88/12/00/569881200.db2.gz	WNFWOJYURUNPSY-XMMPIXPASA-N	1	2	489.532	2.681	50	70	biogenic	JFIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCCc3c[nH]c[nH+]3)[C@@H]21	ZINC000217711349	569881201	/nfs/dbraw/zinc/88/12/01/569881201.db2.gz	WNFWOJYURUNPSY-XMMPIXPASA-N	1	2	489.532	2.681	50	70	biogenic	JFIALO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCCn3cc[nH+]c3)[C@@H]21	ZINC000217870873	569881956	/nfs/dbraw/zinc/88/19/56/569881956.db2.gz	JERCWRIBAHQFFK-XMMPIXPASA-N	1	2	489.532	2.612	50	70	biogenic	JFIALO