smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC/C(C)=C/C=C(\C)C(=O)c1c(O)cc([C@H](C)CC/C=C/NC(=O)OC)oc1=O	ZINC000014611917	560222922	/nfs/dbraw/zinc/22/29/22/560222922.db2.gz	UQFNCSLGZUJVQP-JNZIYJEQSA-N	0	1	417.502	4.974	1	30	in-vitro	HJEFMN
C=C(C)[C@@H](O)CC/C(C)=C/Cc1c(O)ccc(C(=O)/C=C\c2ccc(O)c(O)c2)c1O	ZINC000095918984	291271923	/nfs/dbraw/zinc/27/19/23/291271923.db2.gz	WNTGZUNFTPNYIX-DRLKJRHXSA-N	0	1	424.493	4.611	1	30	biogenic,in-vitro	HJEFMN
CCCCCCCCCCCCOC[C@@H](O)CO[P@](=O)([O-])CCC[N+](C)(C)C	ZINC000042875497	717127825	/nfs/dbraw/zinc/12/78/25/717127825.db2.gz	WAUOXTQJPYBSCG-OAQYLSRUSA-O	0	1	424.583	4.583	1	30		HJEFMN
C=C(CCC=C(C)C)[C@H](O)Cc1c(O)ccc(C(=O)/C=C\c2ccc(O)cc2)c1O	ZINC000095919158	291272146	/nfs/dbraw/zinc/27/21/46/291272146.db2.gz	CYHUVDXNYPUGML-OXJALOGWSA-N	0	1	408.494	4.906	1	30	biogenic,in-vitro	HJEFMN
CCC/C(C)=C/C=C(\C)C(=O)c1c(O)cc([C@@H](C)CC/C=C/NC(=O)OC)oc1=O	ZINC000014611916	560222966	/nfs/dbraw/zinc/22/29/66/560222966.db2.gz	UQFNCSLGZUJVQP-RDDVZIEMSA-N	0	1	417.502	4.974	1	30	in-vitro	HJEFMN
CC(C)=CCCc1cc(/C=C/C(=O)c2cc3c(cc2O)O[C@@H](C(C)(C)O)C3)ccc1O	ZINC000095486375	291273147	/nfs/dbraw/zinc/27/31/47/291273147.db2.gz	WPBPIIAWPDVRDS-VMQHTIDMSA-N	0	1	422.521	4.967	1	30	biogenic,in-vitro	HJEFMN
C=C(C)[C@H](O)CC/C(C)=C/Cc1c(O)ccc(C(=O)/C=C\c2ccc(O)cc2)c1O	ZINC000095919156	291271926	/nfs/dbraw/zinc/27/19/26/291271926.db2.gz	NCHZAFAGBAEJJJ-YLXDQPIUSA-N	0	1	408.494	4.906	1	30	biogenic,in-vitro	HJEFMN
CC(C)=CCc1cc(/C=C/C(=O)c2cc3c(cc2O)O[C@@H](C(C)(C)O)C3)ccc1O	ZINC000013375648	291273422	/nfs/dbraw/zinc/27/34/22/291273422.db2.gz	JZBLMRCGMUTLPS-VFUOJUBFSA-N	0	1	408.494	4.577	1	30	biogenic,in-vitro	HJEFMN
CCCCCCCCCCCCOC[C@H](O)CO[P@](=O)([O-])CCC[N+](C)(C)C	ZINC000044404782	717129259	/nfs/dbraw/zinc/12/92/59/717129259.db2.gz	WAUOXTQJPYBSCG-NRFANRHFSA-O	0	1	424.583	4.583	1	30		HJEFMN
CCCCCCCCCOC(=O)CCCCCO[P@](=O)([O-])OCC[N+](C)(C)C	ZINC000043562113	717128833	/nfs/dbraw/zinc/12/88/33/717128833.db2.gz	SDVWMGNKNIAWCB-UHFFFAOYSA-O	0	1	424.539	4.680	1	30		HJEFMN