smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)[O-])c3)C2=O)cc1	ZINC000005061435	204108404	/nfs/dbraw/zinc/10/84/04/204108404.db2.gz	UTYQNKLDCNFWCF-YBEGLDIGSA-N	-1	2	380.356	2.125	50	10		GECALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1	ZINC000001201190	570257685	/nfs/dbraw/zinc/25/76/85/570257685.db2.gz	XVHIIYOZOGMWPU-MHWRWJLKSA-N	-1	2	380.356	2.125	50	10		GECALM
C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1)C(=O)[O-]	ZINC000002289640	570281274	/nfs/dbraw/zinc/28/12/74/570281274.db2.gz	PUYWGECMOZMOFR-IWQAVIMZSA-N	-1	2	398.346	2.344	50	10		GECALM
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1	ZINC000017198399	570702057	/nfs/dbraw/zinc/70/20/57/570702057.db2.gz	NAOLPRRNKTWLBV-OQLLNIDSSA-N	-1	2	396.355	2.273	50	10		GECALM
COc1cc(NS(=O)(=O)c2cccc3nsnc32)c(C(=O)[O-])cc1OC	ZINC000003617979	204015215	/nfs/dbraw/zinc/01/52/15/204015215.db2.gz	QJZSQKBHMOJUDH-UHFFFAOYSA-N	-1	2	395.418	2.208	50	10		GECALM
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OCC(=O)[O-])C1=O	ZINC000002278034	136193482	/nfs/dbraw/zinc/19/34/82/136193482.db2.gz	OVUVMXLUDXGYCN-GXDHUFHOSA-N	-1	2	380.356	2.125	50	10		GECALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1	ZINC000017046008	570937881	/nfs/dbraw/zinc/93/78/81/570937881.db2.gz	XVHIIYOZOGMWPU-YBEGLDIGSA-N	-1	2	380.356	2.329	50	10		GECALM
CCOc1ccc(C(=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000002979657	136196532	/nfs/dbraw/zinc/19/65/32/136196532.db2.gz	NSYJFLXHJKPPMK-RVDMUPIBSA-N	-1	2	380.356	2.450	50	10		GECALM
C[C@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1)C(=O)[O-]	ZINC000012381035	570649910	/nfs/dbraw/zinc/64/99/10/570649910.db2.gz	PUYWGECMOZMOFR-HKLRHMNMSA-N	-1	2	398.346	2.344	50	10		GECALM
CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000012414027	570656929	/nfs/dbraw/zinc/65/69/29/570656929.db2.gz	COLMXPPNIQTSDI-WJDWOHSUSA-N	-1	2	379.372	2.117	50	10		GECALM
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)[O-])c(O)c3)C2=O)cc1C	ZINC000101108371	570813180	/nfs/dbraw/zinc/81/31/80/570813180.db2.gz	OXLXDEWAQHQOJC-DHDCSXOGSA-N	-1	2	395.371	2.286	50	10		GECALM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1	ZINC000004703333	570854086	/nfs/dbraw/zinc/85/40/86/570854086.db2.gz	NZIORINKVSYPHW-BOPFTXTBSA-N	-1	2	394.383	2.379	50	10		GECALM
C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1)C(=O)[O-]	ZINC000002982365	570322421	/nfs/dbraw/zinc/32/24/21/570322421.db2.gz	GYTHIIOYUQWYCM-PILJQMSFSA-N	-1	2	380.356	2.205	50	10		GECALM
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1	ZINC000001514476	206385383	/nfs/dbraw/zinc/38/53/83/206385383.db2.gz	NAOLPRRNKTWLBV-DHDCSXOGSA-N	-1	2	396.355	2.068	50	10		GECALM
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1C(=O)[O-]	ZINC000002959786	536597328	/nfs/dbraw/zinc/59/73/28/536597328.db2.gz	ORCGMXQRBUZCST-XNTDXEJSSA-N	-1	2	380.356	2.368	50	10		GECALM
C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1)C(=O)[O-]	ZINC000002289643	209354632	/nfs/dbraw/zinc/35/46/32/209354632.db2.gz	PUYWGECMOZMOFR-UXEDPAHQSA-N	-1	2	398.346	2.344	50	10		GECALM
O=C([O-])COc1ccccc1C=C1C(=O)NC(=O)N(c2ccccc2F)C1=O	ZINC000001243580	209317356	/nfs/dbraw/zinc/31/73/56/209317356.db2.gz	NYVFGODZDZXCOJ-FMIVXFBMSA-N	-1	2	384.319	2.160	50	10		GECALM
C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1)C(=O)[O-]	ZINC000002982363	570322440	/nfs/dbraw/zinc/32/24/40/570322440.db2.gz	GYTHIIOYUQWYCM-JASJWYONSA-N	-1	2	380.356	2.205	50	10		GECALM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)[O-])C2=O)c1	ZINC000004614837	570387978	/nfs/dbraw/zinc/38/79/78/570387978.db2.gz	GZIRWJWGFUIHSH-MHWRWJLKSA-N	-1	2	394.383	2.433	50	10		GECALM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)[O-])C2=O)c1	ZINC000004815221	571048449	/nfs/dbraw/zinc/04/84/49/571048449.db2.gz	FLLZYBZADVFSOX-GDNBJRDFSA-N	-1	2	380.356	2.125	50	10		GECALM
O=C([O-])COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	ZINC000020149529	136202471	/nfs/dbraw/zinc/20/24/71/136202471.db2.gz	VFCBDWMCDHIOSP-NTEUORMPSA-N	-1	2	382.328	2.362	50	10		GECALM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)[O-])C2=O)cc1	ZINC000004704220	570395689	/nfs/dbraw/zinc/39/56/89/570395689.db2.gz	BYVBFVSDRRWPCS-WJDWOHSUSA-N	-1	2	394.383	2.379	50	10		GECALM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)c1	ZINC000002285536	136193497	/nfs/dbraw/zinc/19/34/97/136193497.db2.gz	IDIGBPJPEGXFHG-MHWRWJLKSA-N	-1	2	380.356	2.125	50	10		GECALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1C	ZINC000002304155	570281858	/nfs/dbraw/zinc/28/18/58/570281858.db2.gz	YIJUBEZFTZFFFE-LICLKQGHSA-N	-1	2	394.383	2.433	50	10		GECALM