smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2cc([O-])c3c(=O)c4c(c(OC)c-3o2)OC(C)(C)C=C4)cc1OC	ZINC000013484734	560217371	/nfs/dbraw/zinc/21/73/71/560217371.db2.gz	DIOIPXZGSXBDJU-UHFFFAOYSA-N	-1	3	410.422	4.376	1	0	biogenic,in-vitro	HIAFHM
CC(C)=CCc1c2c(c([O-])c3c(=O)c(-c4ccc(O)cc4)coc13)C[C@H](C(C)(C)O)O2	ZINC000003645832	291261560	/nfs/dbraw/zinc/26/15/60/291261560.db2.gz	LKFQSODZCVNSSG-LJQANCHMSA-N	-1	3	422.477	4.454	1	0	biogenic,in-vitro	HIAFHM
C[C@@H](O)[C@@H](C)C(=O)c1c([O-])c2c(c3c1OC(=O)C[C@@H]3c1ccccc1)OC(C)(C)C=C2	ZINC000013382712	291267502	/nfs/dbraw/zinc/26/75/02/291267502.db2.gz	LPOJHKDMSLEMHR-CKEIUWERSA-N	-1	3	422.477	4.217	1	0	biogenic,in-vitro	HIAFHM
CC(C)=CCc1ccc2c(c1[O-])C(=O)c1c(O)cc(C)c3c1[C@H](O2)[C@H](C(C)(C)O)CO3	ZINC000003652683	560189295	/nfs/dbraw/zinc/18/92/95/560189295.db2.gz	MYJGUMZTENHAAQ-OYLFLEFRSA-N	-1	3	424.493	4.359	3	0	in-vitro	HIAFHM
CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1[O-])C[C@H](C(C)(C)O)O2	ZINC000005854420	291261593	/nfs/dbraw/zinc/26/15/93/291261593.db2.gz	KQLMUJOKBRYEHR-LJQANCHMSA-N	-1	3	422.477	4.454	1	0	biogenic,in-vitro	HIAFHM
CC(C)=CCc1ccc2c(c1[O-])C(=O)c1c(O)cc(C)c3c1[C@H](O2)[C@@H](C(C)(C)O)CO3	ZINC000003652685	560189303	/nfs/dbraw/zinc/18/93/03/560189303.db2.gz	MYJGUMZTENHAAQ-IZHWHUGBSA-N	-1	3	424.493	4.359	3	0	in-vitro	HIAFHM
O=C(c1ccccc1)N1Cc2c([n-]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)OCO2	ZINC000013493093	581101234	/nfs/dbraw/zinc/10/12/34/581101234.db2.gz	AFXANIIGPDJVPQ-HSZRJFAPSA-N	-1	3	410.429	4.002	1	0		HIAFHM
CC(C)=CCc1c2c(c([O-])c3c1O[C@H](c1ccc(O)cc1)[C@@H](O)C3=O)C=CC(C)(C)O2	ZINC000096903575	291261564	/nfs/dbraw/zinc/26/15/64/291261564.db2.gz	VRUKIMJALJVJOM-FCHUYYIVSA-N	-1	3	422.477	4.468	1	0	biogenic,in-vitro	HIAFHM
CCCOc1ccc(-c2nc(C)cs2)cc1-c1nc2c(c(C)nn2CC)c(=O)[n-]1	ZINC000001541551	581097769	/nfs/dbraw/zinc/09/77/69/581097769.db2.gz	UEJFZHMZCDQXPA-UHFFFAOYSA-N	-1	3	409.515	4.336	1	0		HIAFHM
CC(C)=CCc1c2c(c([O-])c3c1O[C@H](c1ccccc1O)[C@@H](O)C3=O)C=CC(C)(C)O2	ZINC000032296552	291261567	/nfs/dbraw/zinc/26/15/67/291261567.db2.gz	TTYWGXALMUZLQM-XUZZJYLKSA-N	-1	3	422.477	4.468	1	0	biogenic,in-vitro	HIAFHM
COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1-c1coc(C)c([O-])c1=O	ZINC000095486325	291265600	/nfs/dbraw/zinc/26/56/00/291265600.db2.gz	LZISGOICAGDBIU-UHFFFAOYSA-N	-1	3	406.390	4.111	1	0	biogenic,in-vitro	HIAFHM
CC(C)=CCc1cc(-c2coc3cc4c(c([O-])c3c2=O)C[C@H](C(C)(C)O)O4)ccc1O	ZINC000059728659	291261579	/nfs/dbraw/zinc/26/15/79/291261579.db2.gz	STWKZOLIYPDQRJ-OAQYLSRUSA-N	-1	3	422.477	4.454	1	0	biogenic,in-vitro	HIAFHM
CC(C)=CCc1cc(-c2coc3cc4c(c(=O)c-3c2[O-])C[C@H](C(C)(C)O)O4)ccc1O	ZINC000059728659	291261580	/nfs/dbraw/zinc/26/15/80/291261580.db2.gz	STWKZOLIYPDQRJ-OAQYLSRUSA-N	-1	3	422.477	4.454	1	0	biogenic,in-vitro	HIAFHM
C[C@@H](C(=O)c1c([O-])c2c(c3c1OC(=O)C[C@@H]3c1ccccc1)OC(C)(C)C=C2)[C@H](C)O	ZINC000013382714	291267499	/nfs/dbraw/zinc/26/74/99/291267499.db2.gz	LPOJHKDMSLEMHR-JKIFEVAISA-N	-1	3	422.477	4.217	1	0	biogenic,in-vitro	HIAFHM
O=C1[N-]C(=O)c2c1c1c3cc(O)ccc3n(CCCO)c1cc2-c1ccccc1Cl	ZINC000029127032	581098085	/nfs/dbraw/zinc/09/80/85/581098085.db2.gz	MXQJCXBZZGUBSZ-UHFFFAOYSA-N	-1	3	420.852	4.087	1	0		HIAFHM
CC(C)=CCc1ccc2c(c1[O-])C(=O)c1c(O)cc(C)c3c1[C@@H](O2)[C@@H](C(C)(C)O)CO3	ZINC000003652687	560189281	/nfs/dbraw/zinc/18/92/81/560189281.db2.gz	MYJGUMZTENHAAQ-OWJWWREXSA-N	-1	3	424.493	4.359	3	0	in-vitro	HIAFHM
CC(=O)O[C@@H]1C[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccc([O-])cc2)C=C1C	ZINC000095912713	291261113	/nfs/dbraw/zinc/26/11/13/291261113.db2.gz	XLXAJOASBOPLDJ-APTBEKPVSA-N	-1	3	416.514	4.003	1	0	biogenic,in-vitro	HIAFHM
CC(C)=CCc1c2c(c([O-])c3c(=O)c(-c4ccc(O)cc4)coc13)C[C@@H](C(C)(C)O)O2	ZINC000003645834	291261336	/nfs/dbraw/zinc/26/13/36/291261336.db2.gz	LKFQSODZCVNSSG-IBGZPJMESA-N	-1	3	422.477	4.454	1	0	biogenic,in-vitro	HIAFHM
CC(C)=CCc1ccc2c(c1[O-])C(=O)c1c(O)cc(C)c3c1[C@@H](O2)[C@H](C(C)(C)O)CO3	ZINC000003652684	560189301	/nfs/dbraw/zinc/18/93/01/560189301.db2.gz	MYJGUMZTENHAAQ-MYYSRTQBSA-N	-1	3	424.493	4.359	3	0	in-vitro	HIAFHM
O=C(c1ccccc1)N1Cc2c([n-]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2	ZINC000013493092	581101157	/nfs/dbraw/zinc/10/11/57/581101157.db2.gz	AFXANIIGPDJVPQ-QHCPKHFHSA-N	-1	3	410.429	4.002	1	0		HIAFHM