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#Cc1ccccc1[O-]	144650122	541306415	/nfs/dbraw/zinc/30/64/15/541306415.db2.gz	VYVSCBZOSRUQCZ-UHFFFAOYSA-N	-2	3	162.144	0.828	20	30		ACEDHL
C=CCO[N-]C(=O)CCC(=O)[O-]	387269447	951314610	/nfs/dbraw/zinc/31/46/10/951314610.db2.gz	DCXZTYZEYLQOEE-UHFFFAOYSA-N	-2	3	173.168	0.085	20	30		ACEDHL
C=CCO[N-]C(=O)CCCC(=O)[O-]	387301464	951314738	/nfs/dbraw/zinc/31/47/38/951314738.db2.gz	JXBLPSUGCYMKFP-UHFFFAOYSA-N	-2	3	187.195	0.475	20	30		ACEDHL
CCCCN([O-])C(=O)CCC(=O)[O-]	1603647462	974006213	/nfs/dbraw/zinc/00/62/13/974006213.db2.gz	RZQTZTWSPZGYEY-UHFFFAOYSA-N	-2	3	189.211	0.869	20	30		ACEDHL
C#CCON=c1[n-]cncc1C(=O)[O-]	306517119	572675961	/nfs/dbraw/zinc/67/59/61/572675961.db2.gz	AUEXTHKLGVVZNO-UHFFFAOYSA-N	-2	3	193.162	0.152	20	30		ACEDHL
C#CCON=c1nccc(C(=O)[O-])[n-]1	306703388	572767416	/nfs/dbraw/zinc/76/74/16/572767416.db2.gz	BRIQOLNEOUEVBR-UHFFFAOYSA-N	-2	3	193.162	0.152	20	30		ACEDHL
C=C(C)CO[N-]C(=O)CCC(=O)[O-]	393666474	573497224	/nfs/dbraw/zinc/49/72/24/573497224.db2.gz	TXBFXVLOYJNELN-UHFFFAOYSA-N	-2	3	187.195	0.475	20	30		ACEDHL
O=c1[n-][n-]c(=O)n1N=Cc1ccco1	814231588	582975671	/nfs/dbraw/zinc/97/56/71/582975671.db2.gz	JTQINALXCALIDP-UHFFFAOYSA-N	-2	3	194.150	0.165	20	30		ACEDHL
N#Cc1ccc(C(=O)OCC(=O)[O-])[n-]1	821329632	583028013	/nfs/dbraw/zinc/02/80/13/583028013.db2.gz	CZCHLNGKPVZASE-UHFFFAOYSA-N	-2	3	194.146	0.128	20	30		ACEDHL
O=C([N-]O)c1c(F)ccc([O-])c1F	306149686	345038997	/nfs/dbraw/zinc/03/89/97/345038997.db2.gz	AOYIABVVYNMOPP-UHFFFAOYSA-N	-2	3	189.117	0.789	20	30		ACEDHL
C=CCc1c([O-])nc(CC)[n-]c1=O	35287799	343131845	/nfs/dbraw/zinc/13/18/45/343131845.db2.gz	PRWNQZBBFQWWQF-UHFFFAOYSA-N	-2	3	180.207	0.766	20	30		ACEDHL