smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]/N=C(C(=N\N=C(C(=N/O)/c1ccccc1)\c1ccccc1)/c1ccccc1)\c1ccccc1	ZINC000256055469	569275013	/nfs/dbraw/zinc/27/50/13/569275013.db2.gz	HYRFZPMJBRICST-GPWBUVJASA-N	-1	2	446.510	5.637	40	30		IKEBLM
CCCCCCCCC/C=C\CCCCCCCC(=O)CC[C@@H](O)CO[P@@](=O)([O-])O	ZINC000064858305	519974667	/nfs/dbraw/zinc/97/46/67/519974667.db2.gz	GEEKGNBYXJKPQB-ZXEGGCGDSA-N	-1	2	448.581	6.234	40	30	in-vitro	IKEBLM
CCCCCCCCC/C=C\CCCCCCCC(=O)CC[C@@H](O)CO[P@](=O)([O-])O	ZINC000064858305	519974673	/nfs/dbraw/zinc/97/46/73/519974673.db2.gz	GEEKGNBYXJKPQB-ZXEGGCGDSA-N	-1	2	448.581	6.234	40	30	in-vitro	IKEBLM
N#Cc1c(/N=C/c2cc([N+](=O)[O-])c([O-])cc2O)oc(-c2ccccc2)c1-c1ccccc1	ZINC000409173086	556984224	/nfs/dbraw/zinc/98/42/24/556984224.db2.gz	JDIMMYSWDKWROD-VULFUBBASA-N	-1	2	425.400	5.555	40	30		IKEBLM
CCc1ccc2oc(-c3cc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4[O-])ccc3O)nc2c1	ZINC000003032394	569437821	/nfs/dbraw/zinc/43/78/21/569437821.db2.gz	HTOIHDNUQHVOHQ-FOKLQQMPSA-N	-1	2	448.391	5.035	40	30		IKEBLM
CCc1ccc2oc(-c3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3[O-])nc2c1	ZINC000003032420	569437831	/nfs/dbraw/zinc/43/78/31/569437831.db2.gz	ZSTGTMNDNXJVAT-OPEKNORGSA-N	-1	2	427.287	6.526	40	30		IKEBLM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)c1[O-]	ZINC000003169563	569441161	/nfs/dbraw/zinc/44/11/61/569441161.db2.gz	SAHGWOHZZZLWDJ-LSHDLFTRSA-N	-1	2	425.853	5.687	40	30		IKEBLM
N=C1SC(=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(O)=C1c1nccs1	ZINC000033717739	569261895	/nfs/dbraw/zinc/26/18/95/569261895.db2.gz	JJVBZXDIBGVIOW-ZJVAWHCLSA-N	-1	2	430.894	5.173	40	30		IKEBLM
CCc1ccc2oc(-c3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])ccc3O)nc2c1	ZINC000003032423	569437809	/nfs/dbraw/zinc/43/78/09/569437809.db2.gz	KLLOLVLNKIRTGJ-BHGWPJFGSA-N	-1	2	437.839	5.781	40	30		IKEBLM