smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)[O-])c3)SC2=S)cc1	ZINC000002999103	557439356	/nfs/dbraw/zinc/43/93/56/557439356.db2.gz	IQRWOBLGGZLUPK-YBEGLDIGSA-N	-1	0	401.465	3.564	10	10		HHCERM
Cc1cc(N2CCOCC2)ccc1C=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000033311454	132786628	/nfs/dbraw/zinc/78/66/28/132786628.db2.gz	IGNZLKDIPLRYDB-RGEXLXHISA-N	-1	0	407.495	3.503	10	10		HHCERM
CC(=O)c1cccc(N[C@H](c2cc([N+](=O)[O-])ccc2[O-])n2nnc3ccccc32)c1	ZINC000035228906	558789179	/nfs/dbraw/zinc/78/91/79/558789179.db2.gz	XRUSBVWZBYJKBL-NRFANRHFSA-N	-1	0	403.398	3.907	10	10		HHCERM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)c(Cl)c3)C2=O)cc1	ZINC000006508321	132311237	/nfs/dbraw/zinc/31/12/37/132311237.db2.gz	CQRRDTJOFFCCIT-WJDWOHSUSA-N	-1	0	414.845	3.804	10	10		HHCERM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Br)s1	ZINC000006997662	132321880	/nfs/dbraw/zinc/32/18/80/132321880.db2.gz	UWXUHQLNUBWDLF-XFFZJAGNSA-N	-1	0	411.664	3.830	10	10		HHCERM
O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1	ZINC000001203855	132242373	/nfs/dbraw/zinc/24/23/73/132242373.db2.gz	PURNIXMNDFICBR-ZSOIEALJSA-N	-1	0	416.187	3.864	10	10		HHCERM
CCOc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3)C(=O)[N-]C2=S)cc1	ZINC000004467669	132277324	/nfs/dbraw/zinc/27/73/24/132277324.db2.gz	NNWDVSPZSIACBW-HKWRFOASSA-N	-1	0	417.490	3.707	10	10		HHCERM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cccc(F)c3)C2=O)ccc1Br	ZINC000004471706	132277511	/nfs/dbraw/zinc/27/75/11/132277511.db2.gz	DDTLDFDMCDQGMO-ZROIWOOFSA-N	-1	0	403.207	3.563	10	10		HHCERM
O=C([O-])C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S	ZINC000012032245	569399402	/nfs/dbraw/zinc/39/94/02/569399402.db2.gz	PLCZCIYJGIIRCA-WFSQQTBHSA-N	-1	0	401.465	3.515	10	10		HHCERM
COc1ccc(N2C(=O)/C(=C/c3c(OC)ccc4ccccc43)C(=O)[N-]C2=S)cc1	ZINC000000753677	536657685	/nfs/dbraw/zinc/65/76/85/536657685.db2.gz	FNGRSUDVGCYULC-CPNJWEJPSA-N	-1	0	418.474	3.688	10	10		HHCERM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccn(-c2cccc([N+](=O)[O-])c2)c1	ZINC000002355187	132253221	/nfs/dbraw/zinc/25/32/21/132253221.db2.gz	JRYUFKMHZJLZOA-WOJGMQOQSA-N	-1	0	402.366	3.892	10	10		HHCERM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3)C2=O)c1	ZINC000005931165	132308560	/nfs/dbraw/zinc/30/85/60/132308560.db2.gz	YNRBVRVABJWKMJ-HKWRFOASSA-N	-1	0	401.422	3.542	10	10		HHCERM
CN(C)c1ccc(Cn2c(=O)c3cc(Cl)ccc3nc2SCCC(=O)[O-])cc1	ZINC000073660382	522217349	/nfs/dbraw/zinc/21/73/49/522217349.db2.gz	HWHNKVMHUUFPNZ-UHFFFAOYSA-N	-1	0	417.918	3.731	10	10		HHCERM
O=C([O-])COc1cc(C(F)(F)F)nc(Nc2ccccc2C(=O)c2ccccc2)n1	ZINC000073700838	527616088	/nfs/dbraw/zinc/61/60/88/527616088.db2.gz	PFSSPBUYTVEFBQ-UHFFFAOYSA-N	-1	0	417.343	3.933	10	10		HHCERM
Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3)C(=O)[N-]C2=S)cc1C	ZINC000004460745	132277341	/nfs/dbraw/zinc/27/73/41/132277341.db2.gz	DWRYXTPNFHYRID-ZHZULCJRSA-N	-1	0	401.491	3.925	10	10		HHCERM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)c(C)c1	ZINC000005798694	132307937	/nfs/dbraw/zinc/30/79/37/132307937.db2.gz	ITRXKDLGLGSODR-ZHZULCJRSA-N	-1	0	403.482	3.878	10	10		HHCERM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])ccc3N(C)C)C2=O)c(C)c1	ZINC000017085683	132465163	/nfs/dbraw/zinc/46/51/63/132465163.db2.gz	GQSVNXRPSBUHFC-WJDWOHSUSA-N	-1	0	408.414	3.784	10	10		HHCERM
CC(=O)c1cccc(N[C@@H](c2cc([N+](=O)[O-])ccc2[O-])n2nnc3ccccc32)c1	ZINC000035228904	558789235	/nfs/dbraw/zinc/78/92/35/558789235.db2.gz	XRUSBVWZBYJKBL-OAQYLSRUSA-N	-1	0	403.398	3.907	10	10		HHCERM
COc1cccc(-c2csc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)n2)c1	ZINC000032604197	525717411	/nfs/dbraw/zinc/71/74/11/525717411.db2.gz	OLVYWJBUERTPBJ-UHFFFAOYSA-N	-1	0	406.485	3.637	10	10		HHCERM
O=C([O-])C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S	ZINC000012032246	569399413	/nfs/dbraw/zinc/39/94/13/569399413.db2.gz	PLCZCIYJGIIRCA-BPKVKKHESA-N	-1	0	401.465	3.515	10	10		HHCERM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1[N+](=O)[O-]	ZINC000001225786	132243152	/nfs/dbraw/zinc/24/31/52/132243152.db2.gz	NJNRBBBYWLOMST-LCYFTJDESA-N	-1	0	416.187	3.864	10	10		HHCERM
Cc1cc(C)cc(N2C(=O)/C(=C\c3cccn3-c3ccccc3)C(=O)[N-]C2=S)c1	ZINC000005931882	132308551	/nfs/dbraw/zinc/30/85/51/132308551.db2.gz	IBENHPMZQPYSNX-ZHZULCJRSA-N	-1	0	401.491	3.925	10	10		HHCERM
Cn1c2ccccc2c2cc([C@H]3OC(=O)c4cc(O)c(O)cc4[C@@H]3C(=O)[O-])ccc21	ZINC000033414029	558768452	/nfs/dbraw/zinc/76/84/52/558768452.db2.gz	BMQGIOVIHGHZFT-LEWJYISDSA-N	-1	0	403.390	3.823	10	10		HHCERM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(N2CCOCC2)cc1	ZINC000001206677	132242354	/nfs/dbraw/zinc/24/23/54/132242354.db2.gz	GQCZPONYLGUDHZ-AQTBWJFISA-N	-1	0	411.845	3.683	10	10		HHCERM
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)[O-]	ZINC000016688968	558800083	/nfs/dbraw/zinc/80/00/83/558800083.db2.gz	RMYHYVNLPKYCTD-BOPFTXTBSA-N	-1	0	415.492	3.955	10	10		HHCERM