smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)Oc2cccc(C=NNc3ccc(C(=O)[O-])cc3)c2)cc1	ZINC000036330250	525625536	/nfs/dbraw/zinc/62/55/36/525625536.db2.gz	GYHOPPAVSNRXHI-HMAPJEAMSA-N	-1	0	410.451	3.907	1	30		HHEFRM
CC(C)(COC(=O)c1ccc2c(c1)OCO2)CC1=C([O-])c2ccccc2C(=O)C1=O	ZINC000014454969	291247778	/nfs/dbraw/zinc/24/77/78/291247778.db2.gz	QWHPVCGUVBLEQF-UHFFFAOYSA-N	-1	0	408.406	3.880	1	30	biogenic,in-vitro	HHEFRM
CC(/C=C/C1=C(C)C(=O)CCC1(C)C)=C\CC[C@@H](C)C(=O)NCCS(=O)(=O)[O-]	ZINC000095099633	291248682	/nfs/dbraw/zinc/24/86/82/291248682.db2.gz	LONOKSQSOAOOTG-OEAFXBDWSA-N	-1	0	411.564	3.615	1	30	biogenic,in-vitro	HHEFRM
Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)([O-])=NC(=O)NC(C)(C)C)cc1	ZINC000013589648	560219902	/nfs/dbraw/zinc/21/99/02/560219902.db2.gz	SILRUCMXYIKULW-UHFFFAOYSA-N	-1	0	406.464	3.638	1	30	in-vitro	HHEFRM
CC(/C=C/C1=C(C)C(=O)CCC1(C)C)=C\CC[C@H](C)C(=O)NCCS(=O)(=O)[O-]	ZINC000095099634	291248670	/nfs/dbraw/zinc/24/86/70/291248670.db2.gz	LONOKSQSOAOOTG-JJTWPSHXSA-N	-1	0	411.564	3.615	1	30	biogenic,in-vitro	HHEFRM
COc1cc(C(=O)O[C@H]2CC(C)=CC(=O)[C@]3(C)CC[C@](O)(C(C)C)[C@H]23)ccc1O	ZINC000095912729	291252529	/nfs/dbraw/zinc/25/25/29/291252529.db2.gz	AAMGTTAZIKVMCG-NKRSRWBGSA-N	-1	0	402.487	3.649	1	30	biogenic,in-vitro	HHEFRM
COc1ccc(CC#Cc2ccc3ncn(Cc4ccc(C(=O)[O-])cc4)c(=O)c3c2)cc1	ZINC000029133035	581097468	/nfs/dbraw/zinc/09/74/68/581097468.db2.gz	HGWNWHHVVVGHQI-UHFFFAOYSA-N	-1	0	424.456	3.746	1	30		HHEFRM
CC(C)(COC(=O)c1ccc2c(c1)OCO2)CC1=C([O-])c2ccccc2C(=O)C1=O	ZINC000100076936	291247805	/nfs/dbraw/zinc/24/78/05/291247805.db2.gz	OBJIGRUMXMZJRX-UHFFFAOYSA-N	-1	0	408.406	3.723	1	30	biogenic,in-vitro	HHEFRM
C=C1C(=O)[C@@]2(C)C(=O)O[C@@]34C[C@@H](C)C(C(=O)[O-])=C[C@H]3CCC[C@H](C)C[C@@H](C)[C@@H]1O[C@@H]24	ZINC000006037561	560204796	/nfs/dbraw/zinc/20/47/96/560204796.db2.gz	KQZIMLFKBWIOJJ-BUHGLHQASA-N	-1	0	416.514	3.694	1	30	in-vitro	HHEFRM
C=C1C(=O)[C@@]2(C)C(=O)O[C@@]34C[C@@H](C)C(C(=O)[O-])=C[C@@H]3CCC[C@H](C)C[C@@H](C)[C@@H]1O[C@@H]24	ZINC000006037583	560204822	/nfs/dbraw/zinc/20/48/22/560204822.db2.gz	KQZIMLFKBWIOJJ-OWPBYRDUSA-N	-1	0	416.514	3.694	1	30	in-vitro	HHEFRM
C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000118914548	291256300	/nfs/dbraw/zinc/25/63/00/291256300.db2.gz	ZZUMXQCSMJCDDC-SEKUHZJISA-N	-1	0	404.547	3.577	1	30	biogenic,in-vitro	HHEFRM
C=C1C(=O)[C@@]2(C)C(=O)O[C@@]34C[C@@H](C)C(C(=O)[O-])=C[C@@H]3CCC[C@@H](C)C[C@@H](C)[C@@H]1O[C@@H]24	ZINC000006030920	560204583	/nfs/dbraw/zinc/20/45/83/560204583.db2.gz	KQZIMLFKBWIOJJ-CIKKHTDLSA-N	-1	0	416.514	3.694	1	30	in-vitro	HHEFRM
Nc1ccc2c(c1)C(=O)/C(=C/c1cc(Br)c([O-])c(Br)c1)C2=O	ZINC000001902837	581098476	/nfs/dbraw/zinc/09/84/76/581098476.db2.gz	LGMNYNVJHOKTDI-QDEBKDIKSA-N	-1	0	423.060	3.962	1	30		HHEFRM
COc1cc(C(=O)O[C@@H]2C[C@@]3(C)O[C@H]3C[C@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)ccc1O	ZINC000095919328	291252553	/nfs/dbraw/zinc/25/25/53/291252553.db2.gz	LUXHNMNHDPKHBY-LIWUTXLXSA-N	-1	0	404.503	3.681	1	30	biogenic,in-vitro	HHEFRM
C=C1C(=O)[C@@]2(C)C(=O)O[C@@]34C[C@@H](C)C(C(=O)[O-])=C[C@H]3CCC[C@@H](C)C[C@@H](C)[C@@H]1O[C@@H]24	ZINC000006030903	560204596	/nfs/dbraw/zinc/20/45/96/560204596.db2.gz	KQZIMLFKBWIOJJ-IFNFMTLLSA-N	-1	0	416.514	3.694	1	30	in-vitro	HHEFRM