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/c2ccc([O-])cc2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409384638	231198359	/nfs/dbraw/zinc/19/83/59/231198359.db2.gz	DXPKUIRYWAWYFL-FSJBWODESA-N	-2	3	394.496	5.189	40	30		GKEBHL
[O-]c1ccc(Cl)cc1/C=N\c1ccccc1/N=C\c1cc(Cl)ccc1[O-]	ZINC000004530076	204051274	/nfs/dbraw/zinc/05/12/74/204051274.db2.gz	CSIRXWCKACJTAW-CBSQCECLSA-N	-2	3	385.250	5.906	40	30		GKEBHL
CC(C)=CCc1cc(/C=C/C(=O)c2ccc([O-])c(CC=C(C)C)c2[O-])ccc1O	ZINC000014780701	221317784	/nfs/dbraw/zinc/31/77/84/221317784.db2.gz	CBGDCCSHOGQUSW-MDWZMJQESA-N	-2	3	392.495	5.717	40	30	biogenic,in-vitro	GKEBHL
C=CCc1cccc(/C=N/c2cccc(/C=N/c3cccc(CC=C)c3[O-])n2)c1[O-]	ZINC000101206793	570281832	/nfs/dbraw/zinc/28/18/32/570281832.db2.gz	GQIJIMVYZNYWII-GJNCCAKSSA-N	-2	3	397.478	5.451	40	30		GKEBHL
CC[C@@H](C)c1ccc([O-])c(/N=C/c2cc(Cl)cc(Br)c2[O-])c1	ZINC000000793537	570482042	/nfs/dbraw/zinc/48/20/42/570482042.db2.gz	LDCRFKBXKHBQTF-KTMXNEEYSA-N	-2	3	382.685	5.778	40	30		GKEBHL
CCCCCCCCCCCCCCCc1cc([O-])ccc1S(=O)(=O)[O-]	ZINC000104321765	570301181	/nfs/dbraw/zinc/30/11/81/570301181.db2.gz	WPAPMBOMLGJWMJ-UHFFFAOYSA-N	-2	3	384.582	6.273	40	30		GKEBHL
O=C([O-])CSc1nc2ccc(/N=C/c3c([O-])ccc4ccccc43)cc2s1	ZINC000006886025	570498232	/nfs/dbraw/zinc/49/82/32/570498232.db2.gz	ABRPVMIZAFWMHC-UFFVCSGVSA-N	-2	3	394.477	5.082	40	30		GKEBHL
[O-]c1ccc(Cl)cc1/C=N/CCCCCC/N=C/c1cc(Cl)ccc1[O-]	ZINC000018087003	526347528	/nfs/dbraw/zinc/34/75/28/526347528.db2.gz	MJEDAFLTUJSUIS-RNIAWFEPSA-N	-2	3	393.314	5.503	40	30		GKEBHL
CCCCCCCCCCCCS(=O)(=O)[N-]c1cc(Cl)ccc1[O-]	ZINC000100922113	528124511	/nfs/dbraw/zinc/12/45/11/528124511.db2.gz	VWEYJSCDLXWCLB-UHFFFAOYSA-N	-2	3	375.962	5.708	40	30		GKEBHL
CCCCCCCCS(=O)(=O)[N-]c1ccccc1/C(=N/[O-])c1ccccc1	ZINC000100959424	570279718	/nfs/dbraw/zinc/27/97/18/570279718.db2.gz	ZFHJZFHJXUPLLP-QURGRASLSA-N	-2	3	388.533	5.015	40	30		GKEBHL
Cc1cc(/C=N\c2ccccc2[O-])c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409385145	231199662	/nfs/dbraw/zinc/19/96/62/231199662.db2.gz	ICJNOSQJBDIYSZ-FMCGGJTJSA-N	-2	3	394.496	5.189	40	30		GKEBHL
CC[C@H](C)c1ccc([O-])c(/N=C/c2cc(Cl)cc(Br)c2[O-])c1	ZINC000000793539	570482060	/nfs/dbraw/zinc/48/20/60/570482060.db2.gz	LDCRFKBXKHBQTF-YPZZKDGISA-N	-2	3	382.685	5.778	40	30		GKEBHL
[O-]c1ccc(Cl)cc1/C=N/c1ccccc1/N=C\c1cc(Cl)ccc1[O-]	ZINC000102311845	526347698	/nfs/dbraw/zinc/34/76/98/526347698.db2.gz	CSIRXWCKACJTAW-QEUMEHMPSA-N	-2	3	385.250	5.906	40	30		GKEBHL
CC(C)=CCC/C(C)=C/Cc1c([O-])ccc(C(=O)/C=C/c2ccc(O)cc2)c1[O-]	ZINC000005158606	212117471	/nfs/dbraw/zinc/11/74/71/212117471.db2.gz	LRSMBOSQWGHYCW-MDGZPELGSA-N	-2	3	392.495	5.935	40	30	aggregator,biogenic,in-vitro	GKEBHL
COc1cc(Cl)cc(/C=N\c2ccc(-c3nc4ccccc4o3)c([O-])c2)c1[O-]	ZINC000005512356	522532472	/nfs/dbraw/zinc/53/24/72/522532472.db2.gz	RSLPBALGAMDKDY-KSEXSDGBSA-N	-2	3	394.814	5.319	40	30		GKEBHL
[O-]/N=C(\CCCC/C(=N\[O-])c1cc(Cl)ccc1O)c1cc(Cl)ccc1O	ZINC000006220032	527587466	/nfs/dbraw/zinc/58/74/66/527587466.db2.gz	IYBPXOHEYGODPJ-YHARCJFQSA-N	-2	3	397.258	5.022	40	30		GKEBHL
CC[C@H](C)c1ccc([O-])c(/N=C/c2cc(Br)cc(Cl)c2[O-])c1	ZINC000000793450	570482072	/nfs/dbraw/zinc/48/20/72/570482072.db2.gz	LYISTVOKZCQUGR-YPZZKDGISA-N	-2	3	382.685	5.778	40	30		GKEBHL
Cc1ccc(O)c(/C(CCCCCCC/C(=N\[O-])c2cc(C)ccc2O)=N/[O-])c1	ZINC000006189435	525331801	/nfs/dbraw/zinc/33/18/01/525331801.db2.gz	RPNPFNBXESCWCL-CTWPWMDCSA-N	-2	3	398.503	5.502	40	30		GKEBHL
CC[C@@H](C)c1ccc([O-])c(/N=C/c2cc(Br)cc(Cl)c2[O-])c1	ZINC000000793448	570481842	/nfs/dbraw/zinc/48/18/42/570481842.db2.gz	LYISTVOKZCQUGR-KTMXNEEYSA-N	-2	3	382.685	5.778	40	30		GKEBHL
COc1cc(Cl)cc(/C=N\c2ccc([O-])c(-c3nc4ccccc4o3)c2)c1[O-]	ZINC000016194973	570917188	/nfs/dbraw/zinc/91/71/88/570917188.db2.gz	SZNWXALQWJWHKU-KSEXSDGBSA-N	-2	3	394.814	5.319	40	30		GKEBHL