smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(N2CCNCC2)cc1	ZINC000072122930	563163992	/nfs/dbraw/zinc/16/39/92/563163992.db2.gz	PNFQLTFHCMCCHD-UHFFFAOYSA-N	-1	3	432.524	2.978	1	10		IFCFHM
O=C(Nc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1)c1cc(O)c([O-])c(O)c1	ZINC000043072696	563118145	/nfs/dbraw/zinc/11/81/45/563118145.db2.gz	YCTVAXHLBWQLLM-UHFFFAOYSA-N	-1	3	432.429	2.673	1	10		IFCFHM
COc1cc2c3c(n(CCCn4ccnc4)c(=O)c2cc1[O-])-c1cc2c(cc1C3=O)OCO2	ZINC000095575725	563185835	/nfs/dbraw/zinc/18/58/35/563185835.db2.gz	RFRQXMPMSQOGQU-UHFFFAOYSA-N	-1	3	445.431	2.943	1	10		IFCFHM
O=C([N-]N1C(=O)/C(=C\[C@@H]2C(=O)Nc3ccccc32)SC1=S)c1cccc([N+](=O)[O-])c1	ZINC000049111332	563138243	/nfs/dbraw/zinc/13/82/43/563138243.db2.gz	LUVLOPAQSZGUFA-NCPSJORJSA-N	-1	3	440.462	2.720	1	10		IFCFHM
COc1ccc(-c2c3c(nc4[nH]c(=O)[n-]c(=O)c42)-c2ccccc2C3=O)c(OC)c1OC	ZINC000071329829	563162393	/nfs/dbraw/zinc/16/23/93/563162393.db2.gz	UFKDFFJHVIUZAG-UHFFFAOYSA-N	-1	3	431.404	2.928	1	10		IFCFHM
O=C(/C=C/c1ccc(Cl)cc1)N1CCN(CCCNC(=O)c2ccc([O-])c(O)c2)CC1	ZINC000058591113	563145515	/nfs/dbraw/zinc/14/55/15/563145515.db2.gz	VUQZTRRWGYRXSQ-RUDMXATFSA-N	-1	3	443.931	2.729	1	10		IFCFHM
O=C1c2cccc([O-])c2C(=O)c2c(OCCN(CCO)Cc3ccccc3)ccc(O)c21	ZINC000013602177	562996897	/nfs/dbraw/zinc/99/68/97/562996897.db2.gz	QOOGCUNFIKRTJR-UHFFFAOYSA-N	-1	3	433.460	2.747	1	10		IFCFHM
CCOC(=O)N1CCN(CCCOc2cc([O-])c3c(c2)C(=O)c2ccccc2C3=O)CC1	ZINC000072181019	563167018	/nfs/dbraw/zinc/16/70/18/563167018.db2.gz	OBSOQAKZHOUCLK-UHFFFAOYSA-N	-1	3	438.480	2.711	1	10		IFCFHM
O=C(/C=C/c1ccccc1Cl)N1CCN(CCCNC(=O)c2ccc([O-])c(O)c2)CC1	ZINC000058591382	563145545	/nfs/dbraw/zinc/14/55/45/563145545.db2.gz	SXHQOGHVICOPJM-VQHVLOKHSA-N	-1	3	443.931	2.729	1	10		IFCFHM
O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2ccccc2[O-])CC1	ZINC000095582675	563187960	/nfs/dbraw/zinc/18/79/60/563187960.db2.gz	GYFBJHJJDNSIBH-UHFFFAOYSA-N	-1	3	425.573	2.759	1	10		IFCFHM