smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([O-])c2c(=O)c(CC=C(C)C)c(-c3ccc(O)cc3[O-])oc2c1	ZINC000014762741	574413644	/nfs/dbraw/zinc/41/36/44/574413644.db2.gz	CTCHDPAJHVDPRN-UHFFFAOYSA-N	-2	3	368.385	4.094	1	0	endogenous,in-man	FIAFHL
CC(C)=CCc1c([O-])cc2occ(-c3ccc4c(c3)OCO4)c(=O)c2c1[O-]	ZINC000006293608	560205487	/nfs/dbraw/zinc/20/54/87/560205487.db2.gz	FTBGFGQPUMCUSC-UHFFFAOYSA-N	-2	3	366.369	4.109	1	0	in-vitro	FIAFHL
COc1cc([O-])c2c(=O)cc(-c3ccc(O)cc3[O-])oc2c1CC=C(C)C	ZINC000001651169	571680774	/nfs/dbraw/zinc/68/07/74/571680774.db2.gz	RZVNDYZVNDJBPR-UHFFFAOYSA-N	-2	3	368.385	4.094	1	0	endogenous,in-man	FIAFHL
CCCCCc1c(=O)c(OC)c([O-])c2c(O)cc(-c3ccc([O-])cc3)oc1-2	ZINC000085633037	291080590	/nfs/dbraw/zinc/08/05/90/291080590.db2.gz	BXTVIRFYBZTZHC-UHFFFAOYSA-N	-2	3	370.401	4.318	1	0	biogenic,in-vitro	FIAFHL
O=C([O-])c1cccc2[nH]c(-c3cccc4oc(-c5ccccc5[O-])nc43)nc21	ZINC000103212985	209248522	/nfs/dbraw/zinc/24/85/22/209248522.db2.gz	YBYPJPPLRWWWCZ-UHFFFAOYSA-N	-2	3	371.352	4.442	1	0		FIAFHL
CC(C)c1cc(Oc2c(Cl)cc(CC(=O)[O-])cc2Cl)n[n-]c1=O	ZINC000034842471	208110589	/nfs/dbraw/zinc/11/05/89/208110589.db2.gz	UCWVDJLQXJXVEB-UHFFFAOYSA-N	-2	3	357.193	4.032	1	0		FIAFHL
COc1cc(-c2coc3cc([O-])ccc3c2=O)c([O-])c(CC=C(C)C)c1O	ZINC000014762949	291081515	/nfs/dbraw/zinc/08/15/15/291081515.db2.gz	SQUYMJWQUIVZPN-UHFFFAOYSA-N	-2	3	368.385	4.094	1	0	biogenic,in-vitro	FIAFHL
COC[P@](=O)([O-])[C@@H](CCC/C=C(\C)CCC=C(C)C)P(=O)([O-])[O-]	ZINC000013742096	211056927	/nfs/dbraw/zinc/05/69/27/211056927.db2.gz	CAOYIFBVILXMOX-AAWPKVBNSA-N	-3	3	368.347	4.228	1	0		FIAFHL
COc1ccc(-c2coc3cc([O-])c(CC=C(C)C)c([O-])c3c2=O)cc1	ZINC000014819503	291082136	/nfs/dbraw/zinc/08/21/36/291082136.db2.gz	JQNSUDIGIIGIOL-UHFFFAOYSA-N	-2	3	352.386	4.389	1	0	endogenous,in-man	FIAFHL
CC(C)=CCC/C(C)=C/CCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000013742036	211056717	/nfs/dbraw/zinc/05/67/17/211056717.db2.gz	YCVCYJHGGKYDRH-GXDHUFHOSA-N	-4	3	368.347	4.311	1	0	in-vitro	FIAFHL
[O-]c1cn(-c2ccc(Cl)cc2)nc1-c1nnc([N-]c2ccccc2)o1	ZINC000003595317	210488160	/nfs/dbraw/zinc/48/81/60/210488160.db2.gz	MSCYCDDWOWJYKP-UHFFFAOYSA-N	-2	3	353.769	4.025	1	0		FIAFHL
CCCC(=O)c1c([O-])c(CC=C(C)C)c([O-])c2c([C@H](O)CC)cc(=O)oc12	ZINC000014586080	291080596	/nfs/dbraw/zinc/08/05/96/291080596.db2.gz	IQEXTUNPLYDHAD-CQSZACIVSA-N	-2	3	374.433	4.139	1	0	biogenic,in-vitro	FIAFHL
Cc1c(C(=O)[O-])oc2cccc(O[C@H](CCC(=O)[O-])c3ccccc3)c12	ZINC000098082984	222227123	/nfs/dbraw/zinc/22/71/23/222227123.db2.gz	YYGKADLCRYVXGH-CQSZACIVSA-N	-2	3	354.358	4.424	1	0		FIAFHL
COC[P@](=O)([O-])[C@H](CCC/C=C(\C)CCC=C(C)C)P(=O)([O-])[O-]	ZINC000013742098	220092681	/nfs/dbraw/zinc/09/26/81/220092681.db2.gz	CAOYIFBVILXMOX-HNRFISLBSA-N	-3	3	368.347	4.228	1	0		FIAFHL
Cc1c(C(=O)[O-])oc2cccc(O[C@@H](CCC(=O)[O-])c3ccccc3)c12	ZINC000098082983	222226751	/nfs/dbraw/zinc/22/67/51/222226751.db2.gz	YYGKADLCRYVXGH-AWEZNQCLSA-N	-2	3	354.358	4.424	1	0		FIAFHL
CC(C)(C)c1ccccc1Oc1ncccc1[N-]c1nnc(C(=O)[O-])s1	ZINC000096271709	222107589	/nfs/dbraw/zinc/10/75/89/222107589.db2.gz	ILZRIJTYONAFQV-UHFFFAOYSA-N	-2	3	370.434	4.465	1	0		FIAFHL
O=c1c2ccc([O-])cc2oc(Oc2ccc(O)cc2)c1-c1ccc([O-])cc1	ZINC000013489431	220069605	/nfs/dbraw/zinc/06/96/05/220069605.db2.gz	GKHHBTLBBYIXLF-UHFFFAOYSA-N	-2	3	362.337	4.369	1	0		FIAFHL
C[P@](=O)([O-])[C@@H](CCCc1ccc(-c2ccccc2)cc1)P(=O)([O-])[O-]	ZINC000013742076	220092105	/nfs/dbraw/zinc/09/21/05/220092105.db2.gz	VGENPYWOFIUGGK-QGZVFWFLSA-N	-3	3	368.306	4.080	1	0		FIAFHL
COc1c(C)c(C)c(Br)c([O-])c1C/C=C(\C)CCC(=O)[O-]	ZINC000013759742	220093958	/nfs/dbraw/zinc/09/39/58/220093958.db2.gz	ZYGQIARNLRVSHK-WEVVVXLNSA-N	-2	3	357.244	4.134	1	0		FIAFHL
CC(C)=CCc1c([O-])cc2oc(Oc3ccc(O)cc3)cc(=O)c2c1[O-]	ZINC000014814670	291080176	/nfs/dbraw/zinc/08/01/76/291080176.db2.gz	CGFVPOAVSIYUCQ-UHFFFAOYSA-N	-2	3	354.358	4.211	1	0	biogenic,in-vitro	FIAFHL
[O-]c1ccc(-c2nc3cc([O-])cc(/C=C/Br)c3o2)c(F)c1	ZINC000013583704	220077355	/nfs/dbraw/zinc/07/73/55/220077355.db2.gz	XOEIPMPQNNQRFN-ONEGZZNKSA-N	-2	3	350.143	4.411	1	0		FIAFHL
COc1c2cc(-c3ccccc3[O-])c(=O)oc2cc([O-])c1CC=C(C)C	ZINC000070455492	291081030	/nfs/dbraw/zinc/08/10/30/291081030.db2.gz	JGLRISGHFZSJRD-UHFFFAOYSA-N	-2	3	352.386	4.389	1	0	biogenic,in-vitro	FIAFHL