smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c(O)c(-c2ccc([O-])c(O)c2)oc2c3ccccc3ccc12	ZINC000073291895	191301527	/nfs/dbraw/zinc/30/15/27/191301527.db2.gz	VPXQCFYCRKTFHT-UHFFFAOYSA-N	-1	3	320.300	3.730	1	10		DHCFHM
O=C1c2ccccc2C(=O)c2c([O-])cc(-c3ccccc3)cc21	ZINC000096934743	185392718	/nfs/dbraw/zinc/39/27/18/185392718.db2.gz	SCXNWZKFOWETSM-UHFFFAOYSA-N	-1	3	300.313	3.835	1	10		DHCFHM
COc1ccccc1[C@@H]1CC(c2ccc3ccccc3c2[O-])=NN1	ZINC000096938892	185393056	/nfs/dbraw/zinc/39/30/56/185393056.db2.gz	MRRGXPWFZUZLSG-KRWDZBQOSA-N	-1	3	318.376	3.993	1	10		DHCFHM
O=c1c(O)c(-c2ccc([O-])c(O)c2)oc2ccc3ccccc3c12	ZINC000073199232	191291080	/nfs/dbraw/zinc/29/10/80/191291080.db2.gz	HZALMTCPZUUANX-UHFFFAOYSA-N	-1	3	320.300	3.730	1	10		DHCFHM
COc1cccc([C@H]2CC(c3ccc4ccccc4c3[O-])=NN2)c1	ZINC000096938895	185392949	/nfs/dbraw/zinc/39/29/49/185392949.db2.gz	PFBLLUKSXSVCLP-GOSISDBHSA-N	-1	3	318.376	3.993	1	10		DHCFHM
COc1cccc([C@@H]2CC(c3ccc4ccccc4c3[O-])=NN2)c1	ZINC000096938894	185392969	/nfs/dbraw/zinc/39/29/69/185392969.db2.gz	PFBLLUKSXSVCLP-SFHVURJKSA-N	-1	3	318.376	3.993	1	10		DHCFHM
CC(C)=CCCc1cc([O-])c2c(c1O)C(=O)c1ccccc1C2=O	ZINC000014491137	290920763	/nfs/dbraw/zinc/92/07/63/290920763.db2.gz	HYYBBHOZHJSIKO-UHFFFAOYSA-N	-1	3	322.360	3.772	1	10	biogenic,in-vitro	DHCFHM
CN1N=C(c2ccc(O)cc2[O-])C[C@H]1c1ccccc1Cl	ZINC000096921785	185391613	/nfs/dbraw/zinc/39/16/13/185391613.db2.gz	FOKCUXSBXKVVKH-HNNXBMFYSA-N	-1	3	302.761	3.532	1	10		DHCFHM
CN1N=C(c2ccc(O)cc2[O-])C[C@H]1c1ccc(Cl)cc1	ZINC000096921789	185391764	/nfs/dbraw/zinc/39/17/64/185391764.db2.gz	HFHWYLAUMSLTRE-HNNXBMFYSA-N	-1	3	302.761	3.532	1	10		DHCFHM
COc1ccc([C@@H]2CC(c3c([O-])ccc4ccccc43)=NN2)cc1	ZINC000096938882	185392899	/nfs/dbraw/zinc/39/28/99/185392899.db2.gz	QTUIYOWSYGRGCB-KRWDZBQOSA-N	-1	3	318.376	3.993	1	10		DHCFHM
O=C1c2c(ccc(O)c2[O-])CN1Cc1ccc(Cl)c(Cl)c1	ZINC000043025194	183331429	/nfs/dbraw/zinc/33/14/29/183331429.db2.gz	BKVFAAGPOJCBHT-UHFFFAOYSA-N	-1	3	324.163	3.561	1	10		DHCFHM
COc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000004729360	181143870	/nfs/dbraw/zinc/14/38/70/181143870.db2.gz	WYKAPJFLVOOMKV-UYAOXDASSA-N	-1	3	324.424	3.907	1	10		DHCFHM
CCOC(=O)N1N=C(c2ccccc2[O-])C[C@H]1c1ccccc1	ZINC000096937644	185392982	/nfs/dbraw/zinc/39/29/82/185392982.db2.gz	HHYQMNSRTBZUSU-INIZCTEOSA-N	-1	3	310.353	3.700	1	10		DHCFHM
COc1ccc([C@H]2CC(c3c([O-])ccc4ccccc43)=NN2)cc1	ZINC000096938883	185392991	/nfs/dbraw/zinc/39/29/91/185392991.db2.gz	QTUIYOWSYGRGCB-QGZVFWFLSA-N	-1	3	318.376	3.993	1	10		DHCFHM
COc1ccc(C2=N[C@H](C(C)C)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000004729356	181143888	/nfs/dbraw/zinc/14/38/88/181143888.db2.gz	WYKAPJFLVOOMKV-ICSRJNTNSA-N	-1	3	324.424	3.907	1	10		DHCFHM
CN1N=C(c2ccc(O)cc2[O-])C[C@@H]1c1ccccc1Cl	ZINC000096921786	185391617	/nfs/dbraw/zinc/39/16/17/185391617.db2.gz	FOKCUXSBXKVVKH-OAHLLOKOSA-N	-1	3	302.761	3.532	1	10		DHCFHM
CN1N=C(c2ccc(O)cc2[O-])C[C@H]1c1cccc(Cl)c1	ZINC000096921787	185391745	/nfs/dbraw/zinc/39/17/45/185391745.db2.gz	HRDLYKLTNMIJLI-HNNXBMFYSA-N	-1	3	302.761	3.532	1	10		DHCFHM
COc1ccccc1[C@H]1CC(c2ccc3ccccc3c2[O-])=NN1	ZINC000096938893	185393101	/nfs/dbraw/zinc/39/31/01/185393101.db2.gz	MRRGXPWFZUZLSG-QGZVFWFLSA-N	-1	3	318.376	3.993	1	10		DHCFHM
CN1N=C(c2ccc(O)cc2[O-])C[C@@H]1c1cccc(Cl)c1	ZINC000096921788	185391679	/nfs/dbraw/zinc/39/16/79/185391679.db2.gz	HRDLYKLTNMIJLI-OAHLLOKOSA-N	-1	3	302.761	3.532	1	10		DHCFHM
COc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000004729359	181143772	/nfs/dbraw/zinc/14/37/72/181143772.db2.gz	WYKAPJFLVOOMKV-QUCCMNQESA-N	-1	3	324.424	3.907	1	10		DHCFHM
O=C1c2ccccc2C(=O)c2c([O-])cc(-c3ccc(F)cc3)cc21	ZINC000096934745	185392814	/nfs/dbraw/zinc/39/28/14/185392814.db2.gz	WAXWOWSHXSNQOH-UHFFFAOYSA-N	-1	3	318.303	3.974	1	10		DHCFHM
COc1c(O)c([O-])c(O)c(-c2ccc(O)cc2)c1CC=C(C)C	ZINC000014648147	560223840	/nfs/dbraw/zinc/22/38/40/560223840.db2.gz	TYQDIMAUEKKDNH-UHFFFAOYSA-N	-1	3	316.353	3.693	1	10	biogenic,in-vitro	DHCFHM
CN1N=C(c2ccc(O)cc2[O-])C[C@@H]1c1ccc(Cl)cc1	ZINC000096921790	185391732	/nfs/dbraw/zinc/39/17/32/185391732.db2.gz	HFHWYLAUMSLTRE-OAHLLOKOSA-N	-1	3	302.761	3.532	1	10		DHCFHM
CCOC(=O)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccccc1	ZINC000096937645	185393117	/nfs/dbraw/zinc/39/31/17/185393117.db2.gz	HHYQMNSRTBZUSU-MRXNPFEDSA-N	-1	3	310.353	3.700	1	10		DHCFHM
COc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000004729358	181143743	/nfs/dbraw/zinc/14/37/43/181143743.db2.gz	WYKAPJFLVOOMKV-AZUAARDMSA-N	-1	3	324.424	3.907	1	10		DHCFHM