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)c1ccc(/C=C2\Oc3cc([O-])cc(O)c3C2=O)cc1	ZINC000072107140	176316388	/nfs/dbraw/zinc/31/63/88/176316388.db2.gz	GAMVRWFGXTUBCR-APSNUPSMSA-N	-1	1	296.322	3.837	1	30		CHEFMM
C=C1C(=Nc2cccc(C(=O)[O-])c2)C(=C)C(C)C(=O)C1C	ZINC000103195694	185816256	/nfs/dbraw/zinc/81/62/56/185816256.db2.gz	ISFKGBVARWDHQN-UHFFFAOYSA-N	-1	1	283.327	3.713	1	30		CHEFMM
CC1=C([O-])C(=O)c2c(ccc3c2CCCC3(C)C)C1=O	ZINC000014612808	560222999	/nfs/dbraw/zinc/22/29/99/560222999.db2.gz	NXKYAFGBRZSLBM-UHFFFAOYSA-N	-1	1	270.328	3.512	1	30	biogenic,in-vitro	CHEFMM
CCc1cc([O-])c(Oc2ccc(C#N)cc2F)cc1F	ZINC000095578722	185011355	/nfs/dbraw/zinc/01/13/55/185011355.db2.gz	UTCZNKAYUACYDX-UHFFFAOYSA-N	-1	1	275.254	3.897	1	30		CHEFMM
O=C1c2ccccc2C(=O)C(CSc2ccccc2)=C1[O-]	ZINC000095594200	185014617	/nfs/dbraw/zinc/01/46/17/185014617.db2.gz	KRVUXEPQRRLJFM-UHFFFAOYSA-N	-1	1	296.347	3.670	1	30		CHEFMM
C=C[C@@H](CC(=O)c1ccc([O-])cc1)c1ccc(O)cc1	ZINC000013378224	560215668	/nfs/dbraw/zinc/21/56/68/560215668.db2.gz	AVGYGUNTLQSTKJ-LBPRGKRZSA-N	-1	1	268.312	3.640	1	30	biogenic,in-vitro	CHEFMM
[O-]/N=C/c1ccc(-c2ccc(O)cc2)c2occc21	ZINC000028819899	581102238	/nfs/dbraw/zinc/10/22/38/581102238.db2.gz	UJGSAOAFMWYCAT-CXUHLZMHSA-N	-1	1	253.257	3.614	1	30		CHEFMM
O=C1c2ccc([O-])cc2OC/C1=C\c1ccccc1Cl	ZINC000096917197	185130040	/nfs/dbraw/zinc/13/00/40/185130040.db2.gz	DBPDUSMXEGQQJL-YRNVUSSQSA-N	-1	1	286.714	3.704	1	30		CHEFMM
C=CCc1ccc(Oc2ccc(C=O)cc2[O-])cc1	ZINC000095602884	185015052	/nfs/dbraw/zinc/01/50/52/185015052.db2.gz	NULLTEXOKIQKBN-UHFFFAOYSA-N	-1	1	254.285	3.726	1	30		CHEFMM
CC(C)C(=N[N-]c1nc2ccccc2o1)c1ccccn1	ZINC000040766777	174398412	/nfs/dbraw/zinc/39/84/12/174398412.db2.gz	MECCJZGDWCYACX-XDJHFCHBSA-N	-1	1	280.331	3.695	1	30		CHEFMM
N#C[C@H](Cc1ccc([O-])c(Cl)c1)c1ccc(O)cc1	ZINC000040395467	174252566	/nfs/dbraw/zinc/25/25/66/174252566.db2.gz	XLNDJUUVVKWPSZ-LBPRGKRZSA-N	-1	1	273.719	3.601	1	30		CHEFMM
CC(C)=CCC/C(C)=C\C(=O)c1cc(C(=O)[O-])ccc1O	ZINC000100371616	290870473	/nfs/dbraw/zinc/87/04/73/290870473.db2.gz	MPPGIWBJWPIEDY-XFXZXTDPSA-N	-1	1	288.343	3.966	1	30	biogenic,in-vitro	CHEFMM
O=C(/C=C/c1c[nH]c2ccccc12)c1ccc([O-])cc1	ZINC000005948743	170161070	/nfs/dbraw/zinc/16/10/70/170161070.db2.gz	DUFRKBZXGNZLSV-JXMROGBWSA-N	-1	1	263.296	3.770	1	30		CHEFMM
Cn1cc(/C=C/C(=O)c2ccc([O-])cc2)c2ccccc21	ZINC000005799181	170141622	/nfs/dbraw/zinc/14/16/22/170141622.db2.gz	BKXODHXPUBTFLR-DHZHZOJOSA-N	-1	1	277.323	3.780	1	30		CHEFMM
[O-]/N=C(\CSc1ccccc1)c1cccc(F)c1	ZINC000095572760	185010144	/nfs/dbraw/zinc/01/01/44/185010144.db2.gz	XXFOBGGNLBSZDC-JQIJEIRASA-N	-1	1	261.321	3.796	1	30		CHEFMM
O=C1c2ccc([O-])cc2OC/C1=C\c1cccc(Cl)c1	ZINC000096917199	185130291	/nfs/dbraw/zinc/13/02/91/185130291.db2.gz	ZSMOFTCHIDSJDM-IZZDOVSWSA-N	-1	1	286.714	3.704	1	30		CHEFMM
CC(C)=CCC/C(C)=C/C(=O)c1cc(O)ccc1[O-]	ZINC000013340428	560214713	/nfs/dbraw/zinc/21/47/13/560214713.db2.gz	GUDWMKNWJMHSCP-FMIVXFBMSA-N	-1	1	260.333	3.973	1	30	biogenic,in-vitro	CHEFMM
O=C1c2ccc([O-])cc2OC/C1=C\c1ccc(Cl)cc1	ZINC000096917201	185129832	/nfs/dbraw/zinc/12/98/32/185129832.db2.gz	ORTJXYINIFITJH-YRNVUSSQSA-N	-1	1	286.714	3.704	1	30		CHEFMM
CC(C)=CCC/C(C)=C/C(=O)c1cc(C(=O)[O-])ccc1O	ZINC000015120545	560228631	/nfs/dbraw/zinc/22/86/31/560228631.db2.gz	MPPGIWBJWPIEDY-FMIVXFBMSA-N	-1	1	288.343	3.966	1	30	biogenic,in-vitro	CHEFMM
COc1ccc(C=CC(O)=CC(=O)c2ccc([O-])cc2)cc1	ZINC000103139765	185810785	/nfs/dbraw/zinc/81/07/85/185810785.db2.gz	WFCDDOHBSRQPEP-VSPCWBQRSA-N	-1	1	296.322	3.739	1	30		CHEFMM
CC(C)=CCC/C(C)=C\C(=O)c1cc(O)ccc1[O-]	ZINC000100371547	290870560	/nfs/dbraw/zinc/87/05/60/290870560.db2.gz	GUDWMKNWJMHSCP-XFXZXTDPSA-N	-1	1	260.333	3.973	1	30	biogenic,in-vitro	CHEFMM
CC(C)c1ccc([O-])c(C(=O)/C=C/c2ccc(O)c(O)c2)c1	ZINC000013834218	170602364	/nfs/dbraw/zinc/60/23/64/170602364.db2.gz	KLTAQAWMGBHNIH-ZZXKWVIFSA-N	-1	1	298.338	3.823	1	30		CHEFMM
N#C[C@@H](Cc1ccc([O-])c(Cl)c1)c1ccc(O)cc1	ZINC000040395468	174252630	/nfs/dbraw/zinc/25/26/30/174252630.db2.gz	XLNDJUUVVKWPSZ-GFCCVEGCSA-N	-1	1	273.719	3.601	1	30		CHEFMM