smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)c(OC)c1	ZINC000217627101	286377248	/nfs/dbraw/zinc/37/72/48/286377248.db2.gz	LLNUURQWLWCGFN-CQSZACIVSA-N	-1	3	342.347	3.053	50	70	biogenic	EGIAHM
Cc1nc2sc([C@H](c3ccsc3)N3CCCCC3)c([O-])n2n1	ZINC000218472276	547240808	/nfs/dbraw/zinc/24/08/08/547240808.db2.gz	ZTOHGKLXECVECX-LBPRGKRZSA-N	-1	3	334.470	3.442	50	70		EGIAHM
COc1cccc2c(=O)c(C(=O)N3CCc4ccccc4C3)c[n-]c12	ZINC000217607659	536933909	/nfs/dbraw/zinc/93/39/09/536933909.db2.gz	LBDJBLFUNKWYDJ-UHFFFAOYSA-N	-1	3	334.375	3.148	50	70	biogenic	EGIAHM
CC(=O)c1ccc2c(c1[O-])[C@@H](C1=Cc3ccccc3OC1)CC(=O)O2	ZINC000217863006	275806520	/nfs/dbraw/zinc/80/65/20/275806520.db2.gz	CLGBQHYORSZTKU-OAHLLOKOSA-N	-1	3	336.343	3.464	50	70	biogenic	EGIAHM
COc1ccc2[n-]cc(C(=O)N3CCc4ccccc4C3)c(=O)c2c1	ZINC000217691277	241267224	/nfs/dbraw/zinc/26/72/24/241267224.db2.gz	CMWOPQXGYGTPRY-UHFFFAOYSA-N	-1	3	334.375	3.148	50	70	biogenic	EGIAHM
O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1cccc([O-])c1	ZINC000218521328	241328851	/nfs/dbraw/zinc/32/88/51/241328851.db2.gz	QTWTZTYKZADDKZ-PKUWUEBNSA-N	-1	3	348.402	3.182	50	70		EGIAHM
O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1cccc([O-])c1	ZINC000218521417	241328826	/nfs/dbraw/zinc/32/88/26/241328826.db2.gz	QTWTZTYKZADDKZ-UPQHMETBSA-N	-1	3	348.402	3.182	50	70		EGIAHM
CC(=O)c1ccc2c(c1[O-])[C@H](C1=Cc3ccccc3OC1)CC(=O)O2	ZINC000217862937	456033547	/nfs/dbraw/zinc/03/35/47/456033547.db2.gz	CLGBQHYORSZTKU-HNNXBMFYSA-N	-1	3	336.343	3.464	50	70	biogenic	EGIAHM
COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)cc1OC	ZINC000217734575	277927678	/nfs/dbraw/zinc/92/76/78/277927678.db2.gz	SWHXXMXDEAISLU-ZDUSSCGKSA-N	-1	3	342.347	3.053	50	70	biogenic	EGIAHM
CC(=O)c1ccc2c(c1[O-])[C@H](c1cc(F)c(F)c(F)c1)CC(=O)O2	ZINC000218201081	277114419	/nfs/dbraw/zinc/11/44/19/277114419.db2.gz	CIZFKFXPXPHQDN-JTQLQIEISA-N	-1	3	336.265	3.453	50	70		EGIAHM
CC(=O)c1ccc2c(c1[O-])[C@@H](c1cc(F)c(F)c(F)c1)CC(=O)O2	ZINC000218201154	456034670	/nfs/dbraw/zinc/03/46/70/456034670.db2.gz	CIZFKFXPXPHQDN-SNVBAGLBSA-N	-1	3	336.265	3.453	50	70		EGIAHM
COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)c(OC)c1	ZINC000217627011	277927703	/nfs/dbraw/zinc/92/77/03/277927703.db2.gz	LLNUURQWLWCGFN-AWEZNQCLSA-N	-1	3	342.347	3.053	50	70	biogenic	EGIAHM
COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)cc1OC	ZINC000217734650	456033335	/nfs/dbraw/zinc/03/33/35/456033335.db2.gz	SWHXXMXDEAISLU-CYBMUJFWSA-N	-1	3	342.347	3.053	50	70	biogenic	EGIAHM
O=C(CC1(n2cccc2)CCOCC1)Nc1cc(Cl)ccc1[O-]	ZINC000218291558	241313300	/nfs/dbraw/zinc/31/33/00/241313300.db2.gz	MNWYPUSMWGAVBZ-UHFFFAOYSA-N	-1	3	334.803	3.382	50	70		EGIAHM
Cc1nc2sc([C@@H](c3ccsc3)N3CCCCC3)c([O-])n2n1	ZINC000218472193	547240670	/nfs/dbraw/zinc/24/06/70/547240670.db2.gz	ZTOHGKLXECVECX-GFCCVEGCSA-N	-1	3	334.470	3.442	50	70		EGIAHM