smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037731778	166190937	/nfs/dbraw/zinc/19/09/37/166190937.db2.gz	FDHKEPFHCAJTIR-UHFFFAOYSA-N	-2	3	229.217	-0.981	10	30		BBEEHL
C=C(Cn1cc(F)c(=O)[n-]c1=O)C(=O)[O-]	ZINC000069907418	361004196	/nfs/dbraw/zinc/00/41/96/361004196.db2.gz	PVKCQVUYBPXRFI-UHFFFAOYSA-N	-2	3	214.152	-0.684	10	30		BBEEHL
C[C@H](N)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000094437882	571795305	/nfs/dbraw/zinc/79/53/05/571795305.db2.gz	VYZAGTDAHUIRQA-CRCLSJGQSA-N	-2	3	218.209	-0.392	10	30	endogenous,in-man	BBEEHL
C#CCN1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000163714143	372037136	/nfs/dbraw/zinc/03/71/36/372037136.db2.gz	LBHWYKSGQSZVLB-JGVFFNPUSA-N	-2	3	211.217	-0.273	10	30		BBEEHL
C#CCN1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000163714265	372037413	/nfs/dbraw/zinc/03/74/13/372037413.db2.gz	LBHWYKSGQSZVLB-HTQZYQBOSA-N	-2	3	211.217	-0.273	10	30		BBEEHL
C=CCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000168462588	487510595	/nfs/dbraw/zinc/51/05/95/487510595.db2.gz	DPJGKWSPAWKHMV-UHFFFAOYSA-N	-2	3	245.260	-0.038	10	30		BBEEHL
C#CCN1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000225760248	345175926	/nfs/dbraw/zinc/17/59/26/345175926.db2.gz	LBHWYKSGQSZVLB-SFYZADRCSA-N	-2	3	211.217	-0.273	10	30		BBEEHL
C#CCN1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000225760271	371574399	/nfs/dbraw/zinc/57/43/99/371574399.db2.gz	LBHWYKSGQSZVLB-YUMQZZPRSA-N	-2	3	211.217	-0.273	10	30		BBEEHL
C[C@H](/C=N/[O-])Nc1nc(N)[n-]c(=O)c1[N+](=O)[O-]	ZINC000584658975	411918454	/nfs/dbraw/zinc/91/84/54/411918454.db2.gz	HEPPHZILNNXRQT-NEJOGRPOSA-N	-2	3	242.195	-0.067	10	30		BBEEHL
C[C@@H](/C=N/[O-])Nc1nc(N)[n-]c(=O)c1[N+](=O)[O-]	ZINC000584658977	411873781	/nfs/dbraw/zinc/87/37/81/411873781.db2.gz	HEPPHZILNNXRQT-VJBGDCNDSA-N	-2	3	242.195	-0.067	10	30		BBEEHL