smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C#N)cc(CC(=O)[O-])c1[O-]	ZINC000225723651	259541567	/nfs/dbraw/zinc/54/15/67/259541567.db2.gz	JVKSBBLBUIYYFB-UHFFFAOYSA-N	-2	3	207.185	0.900	40	30		BCEBHL
O=C(C/C(=N\[O-])C(=O)NO)c1cccc([O-])c1	ZINC000017142029	182279653	/nfs/dbraw/zinc/27/96/53/182279653.db2.gz	OGUGNADMKXXUKV-DHZHZOJOSA-N	-2	3	238.199	0.301	40	30		BCEBHL
O=C1[N-]OC[C@H]1/N=C/c1cc(Cl)ccc1[O-]	ZINC000104372127	384825165	/nfs/dbraw/zinc/82/51/65/384825165.db2.gz	YVMIWVMSVCDFEX-UJFRQYFJSA-N	-2	3	240.646	0.895	40	30		BCEBHL
O=C([O-])c1ccc(/C=N/N2CC(=O)[N-]C2=O)cc1	ZINC000023042738	344018937	/nfs/dbraw/zinc/01/89/37/344018937.db2.gz	SLIGTDFDPAQYIL-LFYBBSHMSA-N	-2	3	247.210	0.271	40	30		BCEBHL
O=C1[N-]OC[C@@H]1/N=C\c1cc(Cl)ccc1[O-]	ZINC000017312087	384485382	/nfs/dbraw/zinc/48/53/82/384485382.db2.gz	YVMIWVMSVCDFEX-IXFJSXITSA-N	-2	3	240.646	0.895	40	30		BCEBHL
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)C(=O)N[O-]	ZINC000004362771	342747122	/nfs/dbraw/zinc/74/71/22/342747122.db2.gz	FQZCOJKPKPETLX-SECBINFHSA-N	-2	3	248.238	0.917	40	30	in-vitro	BCEBHL
O=C1[N-]OC[C@H]1/N=C\c1cc(Cl)ccc1[O-]	ZINC000017312085	384483941	/nfs/dbraw/zinc/48/39/41/384483941.db2.gz	YVMIWVMSVCDFEX-JVSLFAAXSA-N	-2	3	240.646	0.895	40	30		BCEBHL
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[O-]	ZINC000003953804	342739911	/nfs/dbraw/zinc/73/99/11/342739911.db2.gz	FQZCOJKPKPETLX-VIFPVBQESA-N	-2	3	248.238	0.917	40	30	in-vitro	BCEBHL
O=C(C/C(=N/[O-])C(=O)NO)c1cccc([O-])c1	ZINC000104238304	182279756	/nfs/dbraw/zinc/27/97/56/182279756.db2.gz	OGUGNADMKXXUKV-FLIBITNWSA-N	-2	3	238.199	0.301	40	30		BCEBHL
O=Cc1c(=O)[n-]c(=S)n(-c2ccccc2)c1[O-]	ZINC000006240759	132317952	/nfs/dbraw/zinc/31/79/52/132317952.db2.gz	CPATWONZHOZPLG-MRVPVSSYSA-N	-2	3	248.263	0.249	40	30		BCEBHL
O=Cc1c(=O)[n-]c(=S)n(-c2ccccc2)c1[O-]	ZINC000006240787	132317969	/nfs/dbraw/zinc/31/79/69/132317969.db2.gz	CPATWONZHOZPLG-QMMMGPOBSA-N	-2	3	248.263	0.249	40	30		BCEBHL
Cc1ccc(N2[N-]C(=O)/C(=N/[O-])C2=O)cc1C	ZINC000005730609	397870083	/nfs/dbraw/zinc/87/00/83/397870083.db2.gz	XBGSGOXLJPNEND-LCYFTJDESA-N	-2	3	233.227	0.511	40	30		BCEBHL
COc1cc(/C=N/[O-])ccc1OCC(=O)[O-]	ZINC000013747053	342871192	/nfs/dbraw/zinc/87/11/92/342871192.db2.gz	GUGOLAZVXAGPNR-VZUCSPMQSA-N	-2	3	225.200	0.967	40	30		BCEBHL
O=C1[N-]OC[C@@H]1/N=C/c1cc(Cl)ccc1[O-]	ZINC000104372132	384825014	/nfs/dbraw/zinc/82/50/14/384825014.db2.gz	YVMIWVMSVCDFEX-RBSUDNFPSA-N	-2	3	240.646	0.895	40	30		BCEBHL