smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000408911626	231129555	/nfs/dbraw/zinc/12/95/55/231129555.db2.gz	AEAOOSLBSCNWSH-NYYWCZLTSA-N	-2	0	395.173	3.505	40	10		GHCBRL
Cc1c(Cl)c([O-])c(Cl)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005921439	204156924	/nfs/dbraw/zinc/15/69/24/204156924.db2.gz	AONPOSRFIGVAIM-UHFFFAOYSA-N	-2	0	377.205	3.716	40	10		GHCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)cc1C(=O)[O-]	ZINC000005373392	204129336	/nfs/dbraw/zinc/12/93/36/204129336.db2.gz	JEAWEICNYGWTSH-NVNXTCNLSA-N	-2	0	399.449	3.797	40	10		GHCBRL
Cc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(C)n1-c1ccc(Cl)cc1	ZINC000009234961	570553117	/nfs/dbraw/zinc/55/31/17/570553117.db2.gz	NPEZYQNEEXKUKJ-FPYGCLRLSA-N	-2	0	386.795	3.615	40	10		GHCBRL
CCCC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000101549810	209124781	/nfs/dbraw/zinc/12/47/81/209124781.db2.gz	PGSOPJXUVOQBNW-RVDMUPIBSA-N	-2	0	395.371	3.585	40	10		GHCBRL
CCCC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000101550018	209125130	/nfs/dbraw/zinc/12/51/30/209125130.db2.gz	IXSXFYNEGSEYJL-RVDMUPIBSA-N	-2	0	395.371	3.585	40	10		GHCBRL
COc1ccc(N2N=C(C)C(=CNc3ccc(Cl)c(C(=O)[O-])c3)C2=O)cc1	ZINC000016160723	207072791	/nfs/dbraw/zinc/07/27/91/207072791.db2.gz	OTLQDTOMZXKNKD-YBEGLDIGSA-N	-2	0	385.807	3.765	40	10		GHCBRL
COc1cc(-n2[n-]c(C)c(C=Nc3ccc(C(=O)[O-])cc3)c2=O)ccc1Cl	ZINC000408536978	532960059	/nfs/dbraw/zinc/96/00/59/532960059.db2.gz	YPMXYTKMFPJIFD-GDNBJRDFSA-N	-2	0	385.807	3.765	40	10		GHCBRL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000408965819	231137641	/nfs/dbraw/zinc/13/76/41/231137641.db2.gz	MIEKMHNSOLRXDH-WUXMJOGZSA-N	-2	0	395.173	3.505	40	10		GHCBRL
O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)C=CC1=O	ZINC000100031653	209193444	/nfs/dbraw/zinc/19/34/44/209193444.db2.gz	NCEXYHBECQHGNR-MRCUWXFGSA-N	-2	0	398.400	3.702	40	10		GHCBRL
CCN1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O	ZINC000020518165	570251194	/nfs/dbraw/zinc/25/11/94/570251194.db2.gz	GSRLQQSKHXKQQT-XYOKQWHBSA-N	-2	0	388.763	3.620	40	10		GHCBRL
Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000005371698	570435417	/nfs/dbraw/zinc/43/54/17/570435417.db2.gz	TVDNAMQHNWSOEY-NVNXTCNLSA-N	-2	0	399.449	3.797	40	10		GHCBRL
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1	ZINC000408534590	528150424	/nfs/dbraw/zinc/15/04/24/528150424.db2.gz	WDNKFIKJELUGFX-DHDCSXOGSA-N	-2	0	385.807	3.771	40	10		GHCBRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)ccc1O	ZINC000226855862	570461809	/nfs/dbraw/zinc/46/18/09/570461809.db2.gz	FOQBDEGJBJEOOO-UHFFFAOYSA-N	-2	0	396.635	3.851	40	10		GHCBRL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1	ZINC000008104350	221027405	/nfs/dbraw/zinc/02/74/05/221027405.db2.gz	KEMGZFOTQJYFCA-UHFFFAOYSA-N	-2	0	388.470	3.628	40	10		GHCBRL
CCCC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000101550090	570996577	/nfs/dbraw/zinc/99/65/77/570996577.db2.gz	SDAVIJZRXYQRPQ-LFIBNONCSA-N	-2	0	395.371	3.585	40	10		GHCBRL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000005337655	570434339	/nfs/dbraw/zinc/43/43/39/570434339.db2.gz	DBXFRMLKCQOUEO-YBEGLDIGSA-N	-2	0	394.387	3.628	40	10		GHCBRL
CCc1ccc(C=C2SC(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)=NC2=O)cc1	ZINC000016928270	221373830	/nfs/dbraw/zinc/37/38/30/221373830.db2.gz	WTRCGIBINMZVAT-APSNUPSMSA-N	-2	0	396.424	3.728	40	10		GHCBRL