smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C=C2SC(=S)[N-]C2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409188200	560688130	/nfs/dbraw/zinc/68/81/30/560688130.db2.gz	XKGWUMLOAKQFTC-OQLLNIDSSA-N	-2	1	401.465	3.461	40	10		HGCBML
CN1C(=O)C(=Cc2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C(=O)[N-]C1=S	ZINC000016188913	560859395	/nfs/dbraw/zinc/85/93/95/560859395.db2.gz	PGUKAJICCPJKBH-RIYZIHGNSA-N	-2	1	409.423	3.078	40	10		HGCBML
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc([O-])c(Cl)c1	ZINC000015012459	558700722	/nfs/dbraw/zinc/70/07/22/558700722.db2.gz	YBDBHZRGLFIUFV-GHXNOFRVSA-N	-2	1	421.634	3.475	40	10		HGCBML
Nc1cc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)[O-])cc2cc1S(=O)(=O)[O-]	ZINC000104366323	559160639	/nfs/dbraw/zinc/16/06/39/559160639.db2.gz	XLNIWISYCYGIFJ-HNENSFHCSA-N	-2	1	423.428	3.036	40	10		HGCBML
CCN(CC)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1Br	ZINC000016678655	558799254	/nfs/dbraw/zinc/79/92/54/558799254.db2.gz	QKZKZMDDXHWBCS-SOFGYWHQSA-N	-2	1	409.240	3.163	40	10		HGCBML
Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccccc3)c(O)c12	ZINC000101101585	559143359	/nfs/dbraw/zinc/14/33/59/559143359.db2.gz	UDCKXEFJOHLCKM-HNENSFHCSA-N	-2	1	423.428	3.036	40	10		HGCBML
Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccccc3)c(O)c12	ZINC000257347781	568817613	/nfs/dbraw/zinc/81/76/13/568817613.db2.gz	UDCKXEFJOHLCKM-UHFFFAOYSA-N	-2	1	423.428	3.036	40	10		HGCBML
C[C@@H](Oc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)C(=O)[O-]	ZINC000033385602	569360139	/nfs/dbraw/zinc/36/01/39/569360139.db2.gz	NYVYTUYSNAHEGD-RMENWYJGSA-N	-2	1	402.406	3.153	40	10		HGCBML
O=C1C=C(S(=O)(=O)[O-])C=C2C=C(S(=O)(=O)[O-])C(=NNc3ccccc3)C(O)=C12	ZINC000011592914	558264318	/nfs/dbraw/zinc/26/43/18/558264318.db2.gz	IJDLCOIGFNUHAQ-ZCXUNETKSA-N	-2	1	424.412	3.160	40	10		HGCBML
O=C1c2c([O-])cc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1ccccc1	ZINC000011592914	558264320	/nfs/dbraw/zinc/26/43/20/558264320.db2.gz	IJDLCOIGFNUHAQ-ZCXUNETKSA-N	-3	1	424.412	3.160	40	10		HGCBML
Nc1cc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)[O-])cc2cc1S(=O)(=O)[O-]	ZINC000004523124	557563493	/nfs/dbraw/zinc/56/34/93/557563493.db2.gz	XLNIWISYCYGIFJ-VHEBQXMUSA-N	-2	1	423.428	3.036	40	10		HGCBML
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000108988661	569361373	/nfs/dbraw/zinc/36/13/73/569361373.db2.gz	VOVKDZNUWHPRJL-MOSHPQCFSA-N	-2	1	401.422	3.254	40	10		HGCBML
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000034718536	569360599	/nfs/dbraw/zinc/36/05/99/569360599.db2.gz	LWKSMOHUOPQRPR-MOSHPQCFSA-N	-2	1	401.422	3.254	40	10		HGCBML
Cc1coc([N-]S(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=S)[n-]c3=O)cc2)c1C	ZINC000017021121	558811969	/nfs/dbraw/zinc/81/19/69/558811969.db2.gz	GAXNERFBFCPISV-QZQOTICOSA-N	-2	1	420.476	3.479	40	10		HGCBML
C[C@H](Oc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)C(=O)[O-]	ZINC000033385604	569360144	/nfs/dbraw/zinc/36/01/44/569360144.db2.gz	NYVYTUYSNAHEGD-QIQQCEGHSA-N	-2	1	402.406	3.153	40	10		HGCBML