smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc([O-])cc3C2)cc(O)c1O	ZINC000095918662	291075271	/nfs/dbraw/zinc/07/52/71/291075271.db2.gz	JZFBLPMZJMREKB-AWEZNQCLSA-N	-1	1	354.402	3.930	1	10	biogenic,in-vitro	FHCFMM
C[C@H]1Oc2cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c([O-])c2C1(C)C	ZINC000043076877	205100589	/nfs/dbraw/zinc/10/05/89/205100589.db2.gz	TZSQNOYZVLLQQY-SECBINFHSA-N	-1	1	354.358	3.635	1	10		FHCFMM
CC(C)=CCc1c([O-])cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)CC2=O	ZINC000005854467	291075282	/nfs/dbraw/zinc/07/52/82/291075282.db2.gz	XJUDJFVOICLOMY-SFHVURJKSA-N	-1	1	356.374	3.724	1	10	biogenic,in-vitro	FHCFMM
CCCCOc1c([O-])c2c(=O)cc(-c3ccc(O)c(O)c3)oc2cc1OC	ZINC000026375935	204850427	/nfs/dbraw/zinc/85/04/27/204850427.db2.gz	XRIJMLLILUOYTA-UHFFFAOYSA-N	-1	1	372.373	3.764	1	10		FHCFMM
C[C@H]1Oc2ccc(Br)cc2C=C1C=C1SC(=S)[N-]C1=O	ZINC000095595241	209083559	/nfs/dbraw/zinc/08/35/59/209083559.db2.gz	ZCYKABAKRJJWDJ-WCLCAVJRSA-N	-1	1	368.277	3.645	1	10		FHCFMM
COc1cc2c(c([O-])c1CC=C(C)C)C(=O)c1c(O)cc(C)cc1C2=O	ZINC000014815072	291077437	/nfs/dbraw/zinc/07/74/37/291077437.db2.gz	ALEADBNEUMOAQO-UHFFFAOYSA-N	-1	1	352.386	3.699	1	10	biogenic,in-vitro	FHCFMM
Cc1cc2c(c(O)c1C(=O)CCC(C)C)C(=O)c1c([O-])cccc1C2=O	ZINC000095577195	209082660	/nfs/dbraw/zinc/08/26/60/209082660.db2.gz	OAWSKJJZFQTYDQ-UHFFFAOYSA-N	-1	1	352.386	3.801	1	10		FHCFMM
CC1(C)C=Cc2c(cc([O-])c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1	ZINC000013373998	560215305	/nfs/dbraw/zinc/21/53/05/560215305.db2.gz	QNSVTPUDNHNRQZ-UHFFFAOYSA-N	-1	1	352.342	3.761	1	10	in-vitro	FHCFMM
CC1(C)C=Cc2c(cc(=O)c3c([O-])cc(-c4ccc(O)c(O)c4)oc2-3)O1	ZINC000013373998	560215306	/nfs/dbraw/zinc/21/53/06/560215306.db2.gz	QNSVTPUDNHNRQZ-UHFFFAOYSA-N	-1	1	352.342	3.761	1	10	in-vitro	FHCFMM
C[C@@H]1Oc2ccc(Br)cc2C=C1C=C1SC(=S)[N-]C1=O	ZINC000095595242	221967521	/nfs/dbraw/zinc/96/75/21/221967521.db2.gz	ZCYKABAKRJJWDJ-WSPCNJHZSA-N	-1	1	368.277	3.645	1	10		FHCFMM
CCN(Cc1ccc(OC)cc1)Cc1c([O-])ccc2c(=O)cc(C)oc21	ZINC000064510317	221147725	/nfs/dbraw/zinc/14/77/25/221147725.db2.gz	ZLFFFYZJGWGAKR-UHFFFAOYSA-N	-1	1	353.418	3.838	1	10		FHCFMM
CC(C)=CCc1c([O-])cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2	ZINC000014762673	291075289	/nfs/dbraw/zinc/07/52/89/291075289.db2.gz	KBEFFXBSHFUQLT-KRWDZBQOSA-N	-1	1	356.374	3.724	1	10	biogenic,in-vitro	FHCFMM
O=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=NNc1ccc(O)cc1O	ZINC000013584290	220077412	/nfs/dbraw/zinc/07/74/12/220077412.db2.gz	JQBUVPRAKRZKRZ-ZCXUNETKSA-N	-1	1	360.347	3.619	1	10		FHCFMM