smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000408934263	570686873	/nfs/dbraw/zinc/68/68/73/570686873.db2.gz	DLJMRQNHLCWULJ-NTEUORMPSA-N	-1	2	381.300	1.959	40	10		GDCBLM
O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c(S(=O)(=O)[O-])ccc([N+](=O)[O-])c21	ZINC000008898240	206223989	/nfs/dbraw/zinc/22/39/89/206223989.db2.gz	LEEVEHLGRLLDHG-UHFFFAOYSA-N	-1	2	394.273	1.231	40	10		GDCBLM
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000408946562	231134103	/nfs/dbraw/zinc/13/41/03/231134103.db2.gz	AONGXFIKVDPZEH-IZZDOVSWSA-N	-1	2	397.299	1.696	40	10		GDCBLM
COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408940838	533958747	/nfs/dbraw/zinc/95/87/47/533958747.db2.gz	VHBZGPWVDUZPRR-XNTDXEJSSA-N	-1	2	394.339	1.838	40	10		GDCBLM
O=C([O-])COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1	ZINC000409071588	231155639	/nfs/dbraw/zinc/15/56/39/231155639.db2.gz	HJVBTMTWLSVFGJ-DHDCSXOGSA-N	-1	2	382.328	1.522	40	10		GDCBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000408934737	570686943	/nfs/dbraw/zinc/68/69/43/570686943.db2.gz	FXNJPPZDVCDZAV-NTEUORMPSA-N	-1	2	381.300	1.959	40	10		GDCBLM
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1	ZINC000409046748	231150256	/nfs/dbraw/zinc/15/02/56/231150256.db2.gz	LPOLLMADVAUJME-OQLLNIDSSA-N	-1	2	382.328	1.522	40	10		GDCBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)[O-])c3)C2=O)cc1	ZINC000409068824	533996860	/nfs/dbraw/zinc/99/68/60/533996860.db2.gz	IWMQIEOMPZTDOK-YBEGLDIGSA-N	-1	2	396.355	1.825	40	10		GDCBLM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O	ZINC000408950476	231133851	/nfs/dbraw/zinc/13/38/51/231133851.db2.gz	KMMQIXJVWNOSBO-WUXMJOGZSA-N	-1	2	397.299	1.696	40	10		GDCBLM
COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(O)c(C(=O)[O-])c3)C2=O)cc1	ZINC000009265459	570553926	/nfs/dbraw/zinc/55/39/26/570553926.db2.gz	MFRSRKKREDSUBX-ZROIWOOFSA-N	-1	2	397.343	1.678	40	10		GDCBLM
Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNCC(=O)[O-])C2=O)cc1C	ZINC000019596854	210275429	/nfs/dbraw/zinc/27/54/29/210275429.db2.gz	GGYAFBAHBOOSRT-UITAMQMPSA-N	-1	2	396.197	1.207	40	10		GDCBLM
O=C([O-])COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1	ZINC000409068282	231154172	/nfs/dbraw/zinc/15/41/72/231154172.db2.gz	IJMABNXGFNOOOA-DHDCSXOGSA-N	-1	2	384.319	1.956	40	10		GDCBLM
O=C([O-])COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O	ZINC000408915080	231130386	/nfs/dbraw/zinc/13/03/86/231130386.db2.gz	ULYMGBWEEPVVEI-RIYZIHGNSA-N	-1	2	384.319	1.956	40	10		GDCBLM
O=C([O-])Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc21	ZINC000409389411	534509152	/nfs/dbraw/zinc/50/91/52/534509152.db2.gz	AXUPIBVLRDLKIY-OQLLNIDSSA-N	-1	2	390.355	1.787	40	10		GDCBLM
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1C(=O)[O-]	ZINC000409049206	533240518	/nfs/dbraw/zinc/24/05/18/533240518.db2.gz	VPSUFOOWVASNOO-ZROIWOOFSA-N	-1	2	382.328	1.765	40	10		GDCBLM
O=C([O-])c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000408937713	231134292	/nfs/dbraw/zinc/13/42/92/231134292.db2.gz	OFKYJJNQOOEHAD-NTEUORMPSA-N	-1	2	381.300	1.959	40	10		GDCBLM
COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(C(=O)[O-])c(O)c2)C1=O	ZINC000408531723	534129080	/nfs/dbraw/zinc/12/90/80/534129080.db2.gz	LHRMVXSOAQEDMJ-FMIVXFBMSA-N	-1	2	397.343	1.678	40	10		GDCBLM