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-])c1ccc(-c2ccc(/C=N/[O-])o2)cc1	ZINC000000543470	342689811	/nfs/dbraw/zinc/68/98/11/342689811.db2.gz	OWTKDWQYIWOMGQ-NTUHNPAUSA-N	-2	3	231.207	2.453	50	30		BEEAHL
N#Cc1c(=O)[n-]c(=S)[nH]c1-c1ccccc1[O-]	ZINC000016133882	181072311	/nfs/dbraw/zinc/07/23/11/181072311.db2.gz	DYAWKFKIOOOHSQ-UHFFFAOYSA-N	-2	3	245.263	2.089	50	30		BEEAHL
C=CCc1c([O-])c(C(C)=O)cc(C(C)=O)c1[O-]	ZINC000000157787	191107901	/nfs/dbraw/zinc/10/79/01/191107901.db2.gz	RSAMPULHTARIED-UHFFFAOYSA-N	-2	3	234.251	2.232	50	30		BEEAHL
C=CCSc1nc([O-])c([C@H](C)CC)c(=O)[n-]1	ZINC000005072920	191120664	/nfs/dbraw/zinc/12/06/64/191120664.db2.gz	GXDKBCOVHQCZAF-SSDOTTSWSA-N	-2	3	240.328	2.267	50	30		BEEAHL
O=C([O-])c1ccccc1-c1ccc(/C=N/[O-])o1	ZINC000004690601	343964552	/nfs/dbraw/zinc/96/45/52/343964552.db2.gz	UKZIGUUVVNEBFL-NTUHNPAUSA-N	-2	3	231.207	2.453	50	30		BEEAHL
CC(=N[O-])c1c([O-])ccc2c(C)cc(=O)oc21	ZINC000242574945	519351573	/nfs/dbraw/zinc/35/15/73/519351573.db2.gz	NLGZHVWFAWBPMA-UHFFFAOYSA-N	-2	3	233.223	2.005	50	30		BEEAHL
CC(C)(C)c1cc(/C=N\[O-])c(O)c(/C=N\[O-])c1	ZINC000015007654	398162954	/nfs/dbraw/zinc/16/29/54/398162954.db2.gz	UUJUKMPEQNKKLB-POIBIGJCSA-N	-2	3	236.271	2.306	50	30		BEEAHL
O=C([O-])c1cccc(-c2ccc(/C=N/[O-])o2)c1	ZINC000004690616	342750546	/nfs/dbraw/zinc/75/05/46/342750546.db2.gz	IAJYPBLDDSFVDH-NTUHNPAUSA-N	-2	3	231.207	2.453	50	30		BEEAHL
[O-]c1ccccc1C=NNc1ccc(=S)[n-]n1	ZINC000004843819	183300584	/nfs/dbraw/zinc/30/05/84/183300584.db2.gz	MRFQPUAUROJCNX-KPKJPENVSA-N	-2	3	246.295	2.291	50	30		BEEAHL
C=CCSc1nc([O-])c([C@@H](C)CC)c(=O)[n-]1	ZINC000005072921	191121022	/nfs/dbraw/zinc/12/10/22/191121022.db2.gz	GXDKBCOVHQCZAF-ZETCQYMHSA-N	-2	3	240.328	2.267	50	30		BEEAHL
O=C([O-])C(=O)C=C([O-])c1ccc(Cl)cc1	ZINC000100316658	191062876	/nfs/dbraw/zinc/06/28/76/191062876.db2.gz	KGKACLSPOFDTAC-UITAMQMPSA-N	-2	3	226.615	2.049	50	30		BEEAHL
C=CCn1c(=S)[n-]nc1-c1ccccc1[O-]	ZINC000000559328	386610608	/nfs/dbraw/zinc/61/06/08/386610608.db2.gz	KZAQFAGWXZOUIA-UHFFFAOYSA-N	-2	3	233.296	2.499	50	30		BEEAHL