smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000006004045	562945671	/nfs/dbraw/zinc/94/56/71/562945671.db2.gz	WFYGCZYSNOMCDF-FCZVAENFSA-N	-1	0	429.381	1.348	1	10		IDCFRM
O=C([O-])[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)OC(=O)/C=C\c1ccc(O)c(O)c1	ZINC000027203964	563040721	/nfs/dbraw/zinc/04/07/21/563040721.db2.gz	QLGLLTDZDDEEHF-LNIOPTDJSA-N	-1	0	429.381	1.348	1	10		IDCFRM
O=C([O-])[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)NC(=O)/C=C\c1ccc(O)c(O)c1	ZINC000027205468	563040773	/nfs/dbraw/zinc/04/07/73/563040773.db2.gz	WFYGCZYSNOMCDF-KQSBKQDJSA-N	-1	0	429.381	1.348	1	10		IDCFRM
O=C([O-])[C@H](COC(=O)/C=C/c1ccc(O)c(O)c1)NC(=O)/C=C\c1ccc(O)c(O)c1	ZINC000027205474	563040792	/nfs/dbraw/zinc/04/07/92/563040792.db2.gz	WFYGCZYSNOMCDF-FVNXUZSBSA-N	-1	0	429.381	1.348	1	10		IDCFRM
COc1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)Nc2ccc(N)cc2)cc(OC)c1OC	ZINC000045498598	563134697	/nfs/dbraw/zinc/13/46/97/563134697.db2.gz	KTTUJUXDBHAOOL-OAHLLOKOSA-N	-1	0	431.445	1.897	1	10		IDCFRM
Cc1ccc(O[P@@](=O)([O-])OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2N=[N+]=[N-])cn1	ZINC000052565992	563140822	/nfs/dbraw/zinc/14/08/22/563140822.db2.gz	CZTSEVZDYAEOMH-BFHYXJOUSA-N	-1	0	438.337	1.711	1	10		IDCFRM
O=C([O-])[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)OC(=O)/C=C\c1ccc(O)c(O)c1	ZINC000027203968	563040704	/nfs/dbraw/zinc/04/07/04/563040704.db2.gz	QLGLLTDZDDEEHF-XGPNXKPCSA-N	-1	0	429.381	1.348	1	10		IDCFRM
O=C([O-])[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000003589958	562936601	/nfs/dbraw/zinc/93/66/01/562936601.db2.gz	QLGLLTDZDDEEHF-AUPXFEDESA-N	-1	0	429.381	1.348	1	10		IDCFRM
N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nccs3)CC[C@H]12)c1ccccc1	ZINC000026375519	563031034	/nfs/dbraw/zinc/03/10/34/563031034.db2.gz	HIKURAROBRQBMK-BNOWGMLFSA-N	-1	0	430.511	1.721	1	10		IDCFRM
CC(=O)SCCO[P@](=O)([O-])OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-]	ZINC000040712589	563106049	/nfs/dbraw/zinc/10/60/49/563106049.db2.gz	BKOJYRVDGGNYQZ-WOPDTQHZSA-N	-1	0	449.382	1.225	1	10		IDCFRM
CC(=O)SCCO[P@](=O)([O-])OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	ZINC000027310286	563041254	/nfs/dbraw/zinc/04/12/54/563041254.db2.gz	BKOJYRVDGGNYQZ-SDDRHHMPSA-N	-1	0	449.382	1.225	1	10		IDCFRM
CC(=O)Oc1cc(OC(C)=O)c2c(c1)C(=O)c1c(C(=O)[O-])ccc(OC(C)=O)c1C2=O	ZINC000040406878	563101322	/nfs/dbraw/zinc/10/13/22/563101322.db2.gz	BCAJBBNGLLUQFM-UHFFFAOYSA-N	-1	0	426.333	1.936	1	10		IDCFRM
CC(=O)SCCO[P@](=O)([O-])OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-]	ZINC000040712592	563106051	/nfs/dbraw/zinc/10/60/51/563106051.db2.gz	BKOJYRVDGGNYQZ-GRYCIOLGSA-N	-1	0	449.382	1.225	1	10		IDCFRM
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)([O-])Oc3cccnc3C)O2)c(=O)[nH]c1=O	ZINC000052565929	563140816	/nfs/dbraw/zinc/14/08/16/563140816.db2.gz	GFUBGRHDHWZART-IACUBPJLSA-N	-1	0	438.337	1.711	1	10		IDCFRM
O=C([O-])[C@H](COC(=O)/C=C/c1ccc(O)c(O)c1)NC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000006004044	562945647	/nfs/dbraw/zinc/94/56/47/562945647.db2.gz	WFYGCZYSNOMCDF-AQKRTZCPSA-N	-1	0	429.381	1.348	1	10		IDCFRM
O=C([O-])[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000006004049	562945669	/nfs/dbraw/zinc/94/56/69/562945669.db2.gz	YEQHQUIPLHIYJE-DEQYVCSRSA-N	-1	0	430.365	1.775	1	10		IDCFRM
COc1ccc2c(c1)c(/C=C1\C(=O)Nc3ccc(S(N)(=O)=O)cc31)cn2CC(=O)[O-]	ZINC000013538955	562992650	/nfs/dbraw/zinc/99/26/50/562992650.db2.gz	CEJLEKMBODOQHB-SOFYXZRVSA-N	-1	0	427.438	1.875	1	10		IDCFRM
O=C([O-])[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000013475477	562988912	/nfs/dbraw/zinc/98/89/12/562988912.db2.gz	QLGLLTDZDDEEHF-DEQYVCSRSA-N	-1	0	429.381	1.348	1	10		IDCFRM
O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)C(=O)N1	ZINC000015935005	563018502	/nfs/dbraw/zinc/01/85/02/563018502.db2.gz	FUQZTISWJHEKKX-UHFFFAOYSA-N	-1	0	431.426	1.557	3	10		IDCFRM
CC(=O)SCCO[P@](=O)([O-])OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	ZINC000040712585	563106008	/nfs/dbraw/zinc/10/60/08/563106008.db2.gz	BKOJYRVDGGNYQZ-SRVKXCTJSA-N	-1	0	449.382	1.225	1	10		IDCFRM
COc1cc(-c2oc3cc(O)cc(=O)c-3cc2O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc(O)c1O	ZINC000085531479	560073214	/nfs/dbraw/zinc/07/32/14/560073214.db2.gz	XYWFSSFJPFAYCA-YYKCRFIFSA-O	-1	0	449.388	1.030	1	10	biogenic,in-vitro	IDCFRM
O=C([O-])[C@H](COC(=O)/C=C/c1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000001655085	562923987	/nfs/dbraw/zinc/92/39/87/562923987.db2.gz	YEQHQUIPLHIYJE-AUPXFEDESA-N	-1	0	430.365	1.775	1	10		IDCFRM
O=C(CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cc(O)c([O-])c([N+](=O)[O-])c1	ZINC000013585757	562995073	/nfs/dbraw/zinc/99/50/73/562995073.db2.gz	DFXSIMTWLXPBJN-UHFFFAOYSA-N	-1	0	444.400	1.945	1	10		IDCFRM