smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)c(-c2coc3cc4c(c(=O)c-3c2[O-])C=CC(C)(C)O4)cc1OC	ZINC000095486330	291264709	/nfs/dbraw/zinc/26/47/09/291264709.db2.gz	GYGPTQYOPPTMND-UHFFFAOYSA-N	-1	1	410.422	4.376	1	0	biogenic,in-vitro	HIAFMM
CC[C@@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1[O-])C[C@@H](C(C)(C)O)O2	ZINC000014585973	571712450	/nfs/dbraw/zinc/71/24/50/571712450.db2.gz	AVIZABGQXBMRCJ-DYVFJYSZSA-N	-1	1	422.477	4.469	1	0	endogenous,in-man	HIAFMM
COc1ccc(-c2cc(=O)c3c([O-])c4c(c(OC)c3o2)OC(C)(C)C=C4)cc1OC	ZINC000013484734	560217369	/nfs/dbraw/zinc/21/73/69/560217369.db2.gz	DIOIPXZGSXBDJU-UHFFFAOYSA-N	-1	1	410.422	4.376	1	0	biogenic,in-vitro	HIAFMM
CC(C)=CCc1c2c(c(=O)c3c([O-])c(-c4ccc(O)cc4)coc1-3)C[C@H](C(C)(C)O)O2	ZINC000003645832	291261558	/nfs/dbraw/zinc/26/15/58/291261558.db2.gz	LKFQSODZCVNSSG-LJQANCHMSA-N	-1	1	422.477	4.454	1	0	biogenic,in-vitro	HIAFMM
CC(C)CC(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1[O-])C[C@H](C(C)(C)O)O2	ZINC000003197580	571683480	/nfs/dbraw/zinc/68/34/80/571683480.db2.gz	PTQKDRQFGLKODH-GOSISDBHSA-N	-1	1	422.477	4.469	1	0	endogenous,in-man	HIAFMM
CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c([O-])c-3c1=O)C[C@H](C(C)(C)O)O2	ZINC000005854420	291261590	/nfs/dbraw/zinc/26/15/90/291261590.db2.gz	KQLMUJOKBRYEHR-LJQANCHMSA-N	-1	1	422.477	4.454	1	0	biogenic,in-vitro	HIAFMM
CCCC(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1[O-])C[C@@H](C(C)(C)O)O2	ZINC000013461266	291262690	/nfs/dbraw/zinc/26/26/90/291262690.db2.gz	OBYOQQBVJXSKIF-KRWDZBQOSA-N	-1	1	408.450	4.223	1	0	endogenous,in-man	HIAFMM
CC(C)=CCc1cc([C@H]2Oc3c(CC=C(C)C)c([O-])cc(O)c3C(=O)[C@@H]2O)ccc1O	ZINC000014727533	291261572	/nfs/dbraw/zinc/26/15/72/291261572.db2.gz	WFHBGCVPESHDKZ-BJKOFHAPSA-N	-1	1	424.493	4.498	1	0	biogenic,in-vitro	HIAFMM
CC(C)CC(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1[O-])C[C@@H](C(C)(C)O)O2	ZINC000003197581	571683085	/nfs/dbraw/zinc/68/30/85/571683085.db2.gz	PTQKDRQFGLKODH-SFHVURJKSA-N	-1	1	422.477	4.469	1	0	endogenous,in-man	HIAFMM
CC[C@@H](C)C(=O)c1c([O-])c2c(-c3ccccc3)cc(=O)oc2c2c1OC(C)(C)[C@@H](O)C2	ZINC000014585970	291263280	/nfs/dbraw/zinc/26/32/80/291263280.db2.gz	ULCACFIDJDAIOB-DYVFJYSZSA-N	-1	1	422.477	4.469	1	0	biogenic,in-vitro	HIAFMM
CC(=O)c1cccc2c1N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1c1ccccc1O2	ZINC000029037499	534907124	/nfs/dbraw/zinc/90/71/24/534907124.db2.gz	BKMGRBUWKMJIOY-MAUKXSAKSA-N	-1	1	404.388	4.384	1	0		HIAFMM
COc1cc2oc(-c3ccccc3)cc(=O)c2c([O-])c1-c1coc(C)c(OC)c1=O	ZINC000014441498	291265357	/nfs/dbraw/zinc/26/53/57/291265357.db2.gz	FMCPZMXUDWPSID-UHFFFAOYSA-N	-1	1	406.390	4.111	1	0	biogenic,in-vitro	HIAFMM
COc1cc2oc(-c3ccccc3)cc([O-])c-2c(=O)c1-c1coc(C)c(OC)c1=O	ZINC000014441498	291265361	/nfs/dbraw/zinc/26/53/61/291265361.db2.gz	FMCPZMXUDWPSID-UHFFFAOYSA-N	-1	1	406.390	4.111	1	0	biogenic,in-vitro	HIAFMM
CC[C@@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1[O-])C[C@H](C(C)(C)O)O2	ZINC000014585977	571712367	/nfs/dbraw/zinc/71/23/67/571712367.db2.gz	AVIZABGQXBMRCJ-CXAGYDPISA-N	-1	1	422.477	4.469	1	0	endogenous,in-man	HIAFMM
CC(C)C(=O)c1c([O-])c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@@H](C(C)(C)O)C2	ZINC000014616143	560223229	/nfs/dbraw/zinc/22/32/29/560223229.db2.gz	FKONHDPZVQENQZ-MRXNPFEDSA-N	-1	1	408.450	4.079	1	0	in-vitro	HIAFMM
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(C(=O)c2ccc(F)cc2)c1	ZINC000013602448	581093076	/nfs/dbraw/zinc/09/30/76/581093076.db2.gz	YCYREPMLKQUCTN-UHFFFAOYSA-N	-1	1	423.396	4.195	1	0		HIAFMM
CC(C)C(=O)c1c([O-])c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@H](C(C)(C)O)C2	ZINC000014616142	560223266	/nfs/dbraw/zinc/22/32/66/560223266.db2.gz	FKONHDPZVQENQZ-INIZCTEOSA-N	-1	1	408.450	4.079	1	0	in-vitro	HIAFMM
CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1[O-])C[C@H](C(C)(C)O)O2	ZINC000014585978	571712429	/nfs/dbraw/zinc/71/24/29/571712429.db2.gz	AVIZABGQXBMRCJ-SUMWQHHRSA-N	-1	1	422.477	4.469	1	0	endogenous,in-man	HIAFMM
CC[C@@H](O)c1cc([O-])c2c(=O)c3c(cc-2o1)O[C@@](C)(C/C=C/c1ccccc1)[C@H](O)C3	ZINC000085593562	291263277	/nfs/dbraw/zinc/26/32/77/291263277.db2.gz	VDUTYPQENGHNNX-JQZMJCINSA-N	-1	1	422.477	4.100	1	0	biogenic,in-vitro	HIAFMM
CC[C@@H](O)c1cc(=O)c2c([O-])c3c(cc2o1)O[C@@](C)(C/C=C/c1ccccc1)[C@H](O)C3	ZINC000085593562	291263278	/nfs/dbraw/zinc/26/32/78/291263278.db2.gz	VDUTYPQENGHNNX-JQZMJCINSA-N	-1	1	422.477	4.100	1	0	biogenic,in-vitro	HIAFMM
CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1[O-])C[C@@H](C(C)(C)O)O2	ZINC000014585975	571712358	/nfs/dbraw/zinc/71/23/58/571712358.db2.gz	AVIZABGQXBMRCJ-GUYCJALGSA-N	-1	1	422.477	4.469	1	0	endogenous,in-man	HIAFMM
CC(C)(O)[C@@H]1Oc2cc(O)ccc2-c2oc3c4c(cc(=O)c-3c([O-])c21)OC(C)(C)C=C4	ZINC000059587098	291261909	/nfs/dbraw/zinc/26/19/09/291261909.db2.gz	NDXZXKHTJXCZRB-JOCHJYFZSA-N	-1	1	422.433	4.260	1	0	biogenic,in-vitro	HIAFMM
CC(C)(O)[C@@H]1Oc2cc(O)ccc2-c2oc3c4c(cc([O-])c3c(=O)c21)OC(C)(C)C=C4	ZINC000059587098	291261910	/nfs/dbraw/zinc/26/19/10/291261910.db2.gz	NDXZXKHTJXCZRB-JOCHJYFZSA-N	-1	1	422.433	4.260	1	0	biogenic,in-vitro	HIAFMM
COc1cc2c(cc1OC)-c1c(=O)c3c([O-])c4c(cc3oc1CO2)OC(C)(C)C=C4	ZINC000014768757	560226111	/nfs/dbraw/zinc/22/61/11/560226111.db2.gz	OAHQAFDPMFGAMP-UHFFFAOYSA-N	-1	1	408.406	4.259	1	0	biogenic,in-vitro	HIAFMM