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]2COc3cc([O-])cc(O)c3C2=O)cc(O)c1O	ZINC000014762914	291067080	/nfs/dbraw/zinc/06/70/80/291067080.db2.gz	HCLPXVZSJXUHTK-CQSZACIVSA-N	-1	1	356.374	3.377	1	10	biogenic,in-vitro	FGCFMM
O=c1cc(-c2ccccc2)oc2c(CN3CCCC3)c([O-])c(O)c(O)c12	ZINC000040917458	205085115	/nfs/dbraw/zinc/08/51/15/205085115.db2.gz	ZFFYRARIZRJGOO-UHFFFAOYSA-N	-1	1	353.374	3.173	1	10		FGCFMM
CC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2ccc(N(C)C)nc2c1[O-]	ZINC000036380898	205013240	/nfs/dbraw/zinc/01/32/40/205013240.db2.gz	XLPCONLTMNUBOK-MRXNPFEDSA-N	-1	1	359.813	3.478	1	10		FGCFMM
O=C1[N-]C(=S)S/C1=C\c1cc2cc3c(cc2nc1Cl)OCO3	ZINC000169350386	206253693	/nfs/dbraw/zinc/25/36/93/206253693.db2.gz	SHNSYXSEOHQMBW-JYOAFUTRSA-N	-1	1	350.808	3.106	1	10		FGCFMM
O=CN1CC[NH+](Cc2c3cc(Cc4ccccc4)oc3ccc2O)CC1	ZINC000103262340	209250566	/nfs/dbraw/zinc/25/05/66/209250566.db2.gz	DHCBKVBLDHBKGW-UHFFFAOYSA-N	-1	1	350.418	3.003	1	10		FGCFMM
CC(C)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccc(O)c(O)c3)oc-2c1	ZINC000064447501	212037100	/nfs/dbraw/zinc/03/71/00/212037100.db2.gz	LYMSWBFVESOLER-UHFFFAOYSA-N	-1	1	356.330	3.138	1	10		FGCFMM
O=S(=O)(Nc1cc(F)c([O-])c(F)c1)c1ccc(N2CCCC2)cc1	ZINC000064454132	221146687	/nfs/dbraw/zinc/14/66/87/221146687.db2.gz	QPXMATDIUQDPJT-UHFFFAOYSA-N	-1	1	354.378	3.071	1	10		FGCFMM
COc1cc(OC)c(C(=O)c2cccc(F)c2)c([O-])c1CN1CCCC1	ZINC000049112032	221019510	/nfs/dbraw/zinc/01/95/10/221019510.db2.gz	WDKVOQDTNUONSQ-UHFFFAOYSA-N	-1	1	359.397	3.375	1	10		FGCFMM
O=C(/C=C/c1cccnc1)N1CCc2c(Cl)c([O-])c(O)c(Cl)c2C1	ZINC000058580950	221121708	/nfs/dbraw/zinc/12/17/08/221121708.db2.gz	JEQUFOMACVFUTB-ONEGZZNKSA-N	-1	1	365.216	3.398	1	10		FGCFMM
O=c1[n-]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1cccc2ccccc21	ZINC000040893615	205084264	/nfs/dbraw/zinc/08/42/64/205084264.db2.gz	RMSQNMRPJFOXMJ-UHFFFAOYSA-N	-1	1	371.403	3.230	1	10		FGCFMM
COc1cc2cc(C=C3SC(=S)[N-]C3=O)c(Cl)nc2cc1OC	ZINC000169350385	206254030	/nfs/dbraw/zinc/25/40/30/206254030.db2.gz	UQWDAPJLRHIRMZ-XGICHPGQSA-N	-1	1	366.851	3.394	1	10		FGCFMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c2cccnc12	ZINC000002455810	210399203	/nfs/dbraw/zinc/39/92/03/210399203.db2.gz	WUEDWQFWLIYZIU-UHFFFAOYSA-N	-1	1	372.402	3.163	3	10	aggregator	FGCFMM
O=C(Nc1ccc(O)c(O)c1)c1ccc(NC(=O)c2ccccc2[O-])cc1	ZINC000013535933	220072229	/nfs/dbraw/zinc/07/22/29/220072229.db2.gz	BUOFYQFYWDIZNS-UHFFFAOYSA-N	-1	1	364.357	3.308	1	10		FGCFMM
Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2N(C)C)CCC(=O)N3)cc1C	ZINC000064631687	221149382	/nfs/dbraw/zinc/14/93/82/221149382.db2.gz	PNUCPERAJKCNDW-UHFFFAOYSA-N	-1	1	373.478	3.055	1	10		FGCFMM
CC(C)=CCc1c([O-])cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1O)CC2=O	ZINC000071295580	221340971	/nfs/dbraw/zinc/34/09/71/221340971.db2.gz	BPCXQZQCGCNZOS-MRXNPFEDSA-N	-1	1	372.373	3.430	1	10		FGCFMM