smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCC/C(C)=C/COc1cc(O)c2c([O-])c3c(cc2c1)C[C@](C)(O)CC3=O	ZINC000004098465	560195717	/nfs/dbraw/zinc/19/57/17/560195717.db2.gz	KZPCPZBBGCTGCN-RGRKMCAKSA-N	-1	3	410.510	5.202	10	0	in-vitro	HKAEHM
CC(C)=CCC/C(C)=C/COc1cc([O-])c2c(O)c3c(cc2c1)C[C@](C)(O)CC3=O	ZINC000004098465	560195718	/nfs/dbraw/zinc/19/57/18/560195718.db2.gz	KZPCPZBBGCTGCN-RGRKMCAKSA-N	-1	3	410.510	5.202	10	0	in-vitro	HKAEHM
CC(C)=CCC/C(C)=C/COc1cc(O)c2c([O-])c3c(cc2c1)C[C@@](C)(O)CC3=O	ZINC000004098466	291283906	/nfs/dbraw/zinc/28/39/06/291283906.db2.gz	KZPCPZBBGCTGCN-XEKMFBJFSA-N	-1	3	410.510	5.202	10	0	biogenic,in-vitro	HKAEHM
CC(C)=CCC/C(C)=C/COc1cc([O-])c2c(O)c3c(cc2c1)C[C@@](C)(O)CC3=O	ZINC000004098466	291283908	/nfs/dbraw/zinc/28/39/08/291283908.db2.gz	KZPCPZBBGCTGCN-XEKMFBJFSA-N	-1	3	410.510	5.202	10	0	biogenic,in-vitro	HKAEHM
C/C(=C\c1nsc([N-]c2ccc(Cl)cc2Cl)n1)NC1CCCCCCC1	ZINC000005909386	557680720	/nfs/dbraw/zinc/68/07/20/557680720.db2.gz	KEMHODSWLRJMNS-ACCUITESSA-N	-1	3	411.402	6.652	10	0		HKAEHM
C/C(=C\c1nsc([N-]c2ccc(Cl)cc2Cl)n1)NCCc1ccccc1	ZINC000005909390	557680684	/nfs/dbraw/zinc/68/06/84/557680684.db2.gz	ISTHMXDPVAISKT-ACCUITESSA-N	-1	3	405.354	5.782	10	0		HKAEHM
Cc1c(CNCc2ccc(C(=O)[O-])cc2)c2ccccc2n1Cc1ccccc1Cl	ZINC000010315631	557859682	/nfs/dbraw/zinc/85/96/82/557859682.db2.gz	PQRXLIQHCSQPPF-UHFFFAOYSA-N	-1	3	418.924	5.639	10	0		HKAEHM
CC(C)=CCC[C@]1(C)C=Cc2c([O-])c3c(cc2O1)O[C@H](c1ccc(O)cc1O)CC3=O	ZINC000013374706	291285229	/nfs/dbraw/zinc/28/52/29/291285229.db2.gz	FBVQKNJIYRJQBU-NBGIEHNGSA-N	-1	3	422.477	5.421	10	0	endogenous,in-man	HKAEHM
CC(C)=CCC[C@@]1(C)C=Cc2c([O-])c3c(cc2O1)O[C@H](c1ccc(O)cc1O)CC3=O	ZINC000013374707	291285013	/nfs/dbraw/zinc/28/50/13/291285013.db2.gz	FBVQKNJIYRJQBU-CPJSRVTESA-N	-1	3	422.477	5.421	10	0	endogenous,in-man	HKAEHM
Cc1ccc(COc2ccc3ccccc3c2CNCc2ccc(C(=O)[O-])cc2)cc1	ZINC000020874220	558418543	/nfs/dbraw/zinc/41/85/43/558418543.db2.gz	MQJXXCNJLAFJOJ-UHFFFAOYSA-N	-1	3	411.501	5.715	10	0		HKAEHM
CCCOc1c(Cl)cc(Cl)cc1CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000020930317	558424195	/nfs/dbraw/zinc/42/41/95/558424195.db2.gz	JEDGECIRPFWVDI-IBGZPJMESA-N	-1	3	421.324	5.049	10	0		HKAEHM
CCCOc1c(Cl)cc(Cl)cc1CN[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000020930323	558424168	/nfs/dbraw/zinc/42/41/68/558424168.db2.gz	JEDGECIRPFWVDI-LJQANCHMSA-N	-1	3	421.324	5.049	10	0		HKAEHM
O=C1CCCCN1c1cc(-c2cc([O-])cc(C(F)(F)F)c2)cc(C(F)(F)F)c1	ZINC000035860128	132227923	/nfs/dbraw/zinc/22/79/23/132227923.db2.gz	DUKDRXGIVIPASF-UHFFFAOYSA-N	-1	3	403.322	5.614	10	0		HKAEHM
[O-]c1ccc2ccccc2c1C1=CC(c2ccccc2)=N[C@H]2OC(c3ccccc3)=N[C@H]12	ZINC000048547400	569358781	/nfs/dbraw/zinc/35/87/81/569358781.db2.gz	NOVFAPVAXSTJHN-IAPPQJPRSA-N	-1	3	416.480	5.603	10	0		HKAEHM
[O-]c1ccc2ccccc2c1C1=CC(c2ccccc2)=N[C@@H]2OC(c3ccccc3)=N[C@H]12	ZINC000048547402	569358816	/nfs/dbraw/zinc/35/88/16/569358816.db2.gz	NOVFAPVAXSTJHN-IXCJQBJRSA-N	-1	3	416.480	5.603	10	0		HKAEHM
[O-]c1ccc2ccccc2c1C1=CC(c2ccccc2)=N[C@H]2OC(c3ccccc3)=N[C@@H]12	ZINC000048547403	569358835	/nfs/dbraw/zinc/35/88/35/569358835.db2.gz	NOVFAPVAXSTJHN-XCZPVHLTSA-N	-1	3	416.480	5.603	10	0		HKAEHM
[O-]c1ccc2ccccc2c1C1=CC(c2ccccc2)=N[C@@H]2OC(c3ccccc3)=N[C@@H]12	ZINC000048547405	569358811	/nfs/dbraw/zinc/35/88/11/569358811.db2.gz	NOVFAPVAXSTJHN-XTEPFMGCSA-N	-1	3	416.480	5.603	10	0		HKAEHM
O=S(=O)([N-]CCC1=CCCCC1)c1ccc(-c2cnc(C3CCCC3)o2)s1	ZINC000065004585	558969257	/nfs/dbraw/zinc/96/92/57/558969257.db2.gz	SUTADJYBVNJXAF-UHFFFAOYSA-N	-1	3	406.573	5.230	10	0		HKAEHM
COc1ccc(-c2coc3c(CC=C(C)C)c4c(c([O-])c3c2=O)C=CC(C)(C)O4)cc1	ZINC000091301206	569065918	/nfs/dbraw/zinc/06/59/18/569065918.db2.gz	GNPQWDWOWJVYMD-UHFFFAOYSA-N	-1	3	418.489	5.867	10	0		HKAEHM
COc1ccc(-c2coc3c(CC=C(C)C)c4c(c(=O)c-3c2[O-])C=CC(C)(C)O4)cc1	ZINC000091301206	569065919	/nfs/dbraw/zinc/06/59/19/569065919.db2.gz	GNPQWDWOWJVYMD-UHFFFAOYSA-N	-1	3	418.489	5.867	10	0		HKAEHM
C/C(=C\c1nsc([N-]c2ccc(Cl)cc2Cl)n1)NCc1ccc(C)cc1	ZINC000103573548	559156431	/nfs/dbraw/zinc/15/64/31/559156431.db2.gz	OCNBVMBCKNFWBE-UKTHLTGXSA-N	-1	3	405.354	6.048	10	0		HKAEHM