smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCP(=O)([O-])[O-])cc1	ZINC000038152244	205039060	/nfs/dbraw/zinc/03/90/60/205039060.db2.gz	CSAPJUDXEBTDJR-KRWDZBQOSA-N	-2	3	370.430	3.423	1	30		FGEFHL
CC1=C(C2=C(C)C(=O)c3cccc([O-])c3C2=O)C(=O)c2c([O-])cccc2C1=O	ZINC000085488788	291067462	/nfs/dbraw/zinc/06/74/62/291067462.db2.gz	WZPJBVWIDHOZAY-UHFFFAOYSA-N	-2	3	374.348	3.189	1	30	biogenic,in-vitro	FGEFHL
CC1(C)O[C@@H]1Cc1c([O-])cc2occ(-c3ccc(O)cc3)c(=O)c2c1[O-]	ZINC000014819505	291067404	/nfs/dbraw/zinc/06/74/04/291067404.db2.gz	YJILLRPKQUAGBQ-MRXNPFEDSA-N	-2	3	354.358	3.297	1	30	biogenic,in-vitro	FGEFHL
Cc1cc([O-])c2c(c1)C(=O)C(C1=CC(=O)c3c([O-])cc(C)cc3C1=O)=CC2=O	ZINC000085636710	210237300	/nfs/dbraw/zinc/23/73/00/210237300.db2.gz	WZWDIPBLRMIRHM-UHFFFAOYSA-N	-2	3	374.348	3.026	1	30		FGEFHL
Cc1cc([O-])c2c(c1)C(=O)C(c1c(C)cc([O-])c3c1C(=O)C=CC3=O)=CC2=O	ZINC000070454227	291073354	/nfs/dbraw/zinc/07/33/54/291073354.db2.gz	VAXTVWFPVRQSJK-UHFFFAOYSA-N	-2	3	374.348	3.112	1	30	biogenic,in-vitro	FGEFHL
COc1cc([O-])c(C/C=C(/C)CO)c([O-])c1C(=O)/C=C/c1ccc(O)cc1	ZINC000095099506	291070697	/nfs/dbraw/zinc/07/06/97/291070697.db2.gz	PAISPFQETXMRRU-QSGUOTLHSA-N	-2	3	370.401	3.189	1	30	biogenic,in-vitro	FGEFHL
CCCCCCCCc1cccc(NC(=O)[C@@H](N)CCP(=O)([O-])[O-])c1	ZINC000096904210	222138100	/nfs/dbraw/zinc/13/81/00/222138100.db2.gz	FMLHSOGKNHADEE-KRWDZBQOSA-N	-2	3	370.430	3.423	1	30		FGEFHL
CCCCCCCC[P+](C)(C)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000049881426	221028998	/nfs/dbraw/zinc/02/89/98/221028998.db2.gz	NMFRBBAZKUTNDW-UHFFFAOYSA-O	-3	3	363.288	3.306	1	30		FGEFHL
C[C@@]12C[C@@H]1CC[C@]1(C)c3c([O-])c4oc(CO)cc4c([O-])c3C(=O)C(=O)C21	ZINC000064549822	221148248	/nfs/dbraw/zinc/14/82/48/221148248.db2.gz	DCWHKOHERGJPMN-YZQYHBQDSA-N	-2	3	356.374	3.422	1	30		FGEFHL
C=C(C)[C@H](O)Cc1c([O-])cc2occ(-c3ccc(O)cc3)c(=O)c2c1[O-]	ZINC000014819515	291065133	/nfs/dbraw/zinc/06/51/33/291065133.db2.gz	GGHDLVXWIPWSLS-OAHLLOKOSA-N	-2	3	354.358	3.056	1	30	biogenic,in-vitro	FGEFHL
CCCCCCCc1cccc(NC(=O)[C@H](N)CCP(=O)([O-])[O-])c1	ZINC000043562130	205104194	/nfs/dbraw/zinc/10/41/94/205104194.db2.gz	MJDHSZLHTYMUAD-MRXNPFEDSA-N	-2	3	356.403	3.033	1	30		FGEFHL
Cc1cccc(Cn2cc(C(=O)CC(=O)C(=O)[O-])c3c2cccc3[O-])c1	ZINC000102405041	209235801	/nfs/dbraw/zinc/23/58/01/209235801.db2.gz	SJSWJTGLEAKYRT-NVMNQCDNSA-N	-2	3	351.358	3.413	1	30		FGEFHL
Cc1ccc(Cn2cc(C(=O)CC(=O)C(=O)[O-])c3c2cccc3[O-])cc1	ZINC000102397064	209234263	/nfs/dbraw/zinc/23/42/63/209234263.db2.gz	MBAUXHSAYPRTME-NVMNQCDNSA-N	-2	3	351.358	3.413	1	30		FGEFHL
N#Cc1c(Cl)cccc1COc1cccc(C([O-])=CC(=O)C(=O)[O-])c1	ZINC000100983548	209220827	/nfs/dbraw/zinc/22/08/27/209220827.db2.gz	RBIJADKYEGUXJX-PXNMLYILSA-N	-2	3	357.749	3.343	1	30		FGEFHL
CC1=CC(=O)c2c([O-])ccc(C3=C(C)C(=O)c4cccc([O-])c4C3=O)c2C1=O	ZINC000085850673	291067905	/nfs/dbraw/zinc/06/79/05/291067905.db2.gz	CKYANOPNBSDDHH-UHFFFAOYSA-N	-2	3	374.348	3.276	1	30	biogenic,in-vitro	FGEFHL
CC1=CC(=O)c2c([O-])c(C3=C(C)C(=O)c4cccc([O-])c4C3=O)ccc2C1=O	ZINC000044417732	560085230	/nfs/dbraw/zinc/08/52/30/560085230.db2.gz	ITGPISXKMZIRAV-UHFFFAOYSA-N	-2	3	374.348	3.276	1	30	biogenic,in-vitro	FGEFHL
O=C([O-])C(O)=CC(=O)c1cn(Cc2ccc(F)cc2)c2cccc([O-])c12	ZINC000102401210	222295040	/nfs/dbraw/zinc/29/50/40/222295040.db2.gz	MGSNJRZRSQEHFU-IUXPMGMMSA-N	-2	3	355.321	3.244	1	30		FGEFHL
COc1cc([O-])c(C/C=C(\C)CO)c([O-])c1C(=O)/C=C/c1ccc(O)cc1	ZINC000014762522	291070715	/nfs/dbraw/zinc/07/07/15/291070715.db2.gz	PAISPFQETXMRRU-HGFFJGHSSA-N	-2	3	370.401	3.189	1	30	biogenic,in-vitro	FGEFHL
CC1=C(CC2=CC(=O)c3c([O-])cccc3C2=O)C(=O)c2c([O-])cccc2C1=O	ZINC000085950180	291067912	/nfs/dbraw/zinc/06/79/12/291067912.db2.gz	CEBZDZOZLNOOFL-UHFFFAOYSA-N	-2	3	374.348	3.189	1	30	biogenic,in-vitro	FGEFHL