smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C=NNc2nc([O-])c(CC(=O)[O-])s2)cc1OC(=O)c1ccc(C)cc1	ZINC000006797985	568989860	/nfs/dbraw/zinc/98/98/60/568989860.db2.gz	WUQVMQWRDRRRSB-ZTBJCTOSSA-N	-2	1	441.465	2.619	50	30		IFEAML
O=C(CSc1nc(N=NCc2cc([N+](=O)[O-])ccc2[O-])n[n-]1)c1ccc2c(c1)OCO2	ZINC000020493876	527055166	/nfs/dbraw/zinc/05/51/66/527055166.db2.gz	LWVYITPYRWXEQE-FBCYGCLPSA-N	-2	1	442.413	2.568	50	30		IFEAML
O=C1OCC([O-])=C1C(C1=C([O-])COC1=O)c1ccccc1N1CCN(c2ccccc2)CC1	ZINC000101370497	557278838	/nfs/dbraw/zinc/27/88/38/557278838.db2.gz	AKXPIVPSZFSKDJ-OAQYLSRUSA-N	-2	1	448.475	2.835	50	30		IFEAML
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)n1	ZINC000008636588	562960049	/nfs/dbraw/zinc/96/00/49/562960049.db2.gz	IAQYZYGKIMQFIA-UHFFFAOYSA-N	-2	1	443.510	2.567	50	30		IFEAML
O=C([O-])Cc1sc(NN=Cc2cccc(OC(=O)c3ccc(Cl)cc3)c2)nc1[O-]	ZINC000006974584	569114869	/nfs/dbraw/zinc/11/48/69/569114869.db2.gz	AVDMWSZZNFNBDK-LKKXKRCMSA-N	-2	1	431.857	2.955	50	30		IFEAML
Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)c1	ZINC000032961978	556579699	/nfs/dbraw/zinc/57/96/99/556579699.db2.gz	YCOJGDNFUUWEMI-UHFFFAOYSA-N	-2	1	428.514	2.530	50	30		IFEAML
CCc1nnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)s1	ZINC000225530180	569403590	/nfs/dbraw/zinc/40/35/90/569403590.db2.gz	MYDSZDRHSIDRQI-UHFFFAOYSA-N	-2	1	449.539	2.574	50	30		IFEAML
Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCN(CCC#N)CC1	ZINC000032961973	556579722	/nfs/dbraw/zinc/57/97/22/556579722.db2.gz	UZNFOYXNTJSNPC-UHFFFAOYSA-N	-2	1	428.514	2.530	50	30		IFEAML
N#CCCN1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1	ZINC000032961684	556575456	/nfs/dbraw/zinc/57/54/56/556575456.db2.gz	KEDRFMYCQADXBF-UHFFFAOYSA-N	-2	1	448.932	2.875	50	30		IFEAML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)c(C)c1	ZINC000032961965	556579367	/nfs/dbraw/zinc/57/93/67/556579367.db2.gz	KCCITEWOEUWPMK-UHFFFAOYSA-N	-2	1	442.541	2.838	50	30		IFEAML
COc1cc(C=NNc2nc([O-])c(CC(=O)[O-])s2)ccc1OCc1ccc(C)cc1	ZINC000006798250	556104572	/nfs/dbraw/zinc/10/45/72/556104572.db2.gz	KJMAMIQWUQSKNA-QPHXDFOYSA-N	-2	1	427.482	2.979	50	30		IFEAML
COC(=O)C[C@H](c1ccc(OCC(=O)[O-])c(OC)c1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217822664	569453721	/nfs/dbraw/zinc/45/37/21/569453721.db2.gz	NEKNUBHOAHVFSV-OAHLLOKOSA-N	-2	1	440.404	2.697	50	30		IFEAML
C#CCOc1c(Br)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OCC	ZINC000009295577	569520357	/nfs/dbraw/zinc/52/03/57/569520357.db2.gz	TVRBOPLSBMPTRZ-AATRIKPKSA-N	-2	1	436.218	2.727	50	30		IFEAML
O=C1OCC([O-])=C1C(C1=C([O-])COC1=O)c1ccccc1N1CCN(c2ccccc2)CC1	ZINC000101370496	557278785	/nfs/dbraw/zinc/27/87/85/557278785.db2.gz	AKXPIVPSZFSKDJ-NRFANRHFSA-N	-2	1	448.475	2.835	50	30		IFEAML
O=C([O-])Cc1sc(NN=Cc2ccccc2OC(=O)c2ccc(Cl)cc2)nc1[O-]	ZINC000007001837	569117491	/nfs/dbraw/zinc/11/74/91/569117491.db2.gz	UUEKTCUWKIHLJL-SBUZPKSBSA-N	-2	1	431.857	2.955	50	30		IFEAML
COC(=O)C[C@@H](c1ccc(OCC(=O)[O-])c(OC)c1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217822736	569453712	/nfs/dbraw/zinc/45/37/12/569453712.db2.gz	NEKNUBHOAHVFSV-HNNXBMFYSA-N	-2	1	440.404	2.697	50	30		IFEAML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)cc1	ZINC000032961960	556579222	/nfs/dbraw/zinc/57/92/22/556579222.db2.gz	XRNAGWQQEDIIDJ-UHFFFAOYSA-N	-2	1	428.514	2.530	50	30		IFEAML
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)c1	ZINC000032961962	556579361	/nfs/dbraw/zinc/57/93/61/556579361.db2.gz	BCIBLAUPRZECJG-UHFFFAOYSA-N	-2	1	442.541	2.838	50	30		IFEAML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)cc1C	ZINC000032961966	556579394	/nfs/dbraw/zinc/57/93/94/556579394.db2.gz	JAFSJDRHVGJOKC-UHFFFAOYSA-N	-2	1	442.541	2.838	50	30		IFEAML
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(CCC#N)CC2)cc1	ZINC000032961971	556579682	/nfs/dbraw/zinc/57/96/82/556579682.db2.gz	MUPQOGGQZOSYIO-UHFFFAOYSA-N	-2	1	442.541	2.784	50	30		IFEAML