smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc2cc(-c3cccc(O)c3)ccc2c1Br	ZINC000040876206	183145584	/nfs/dbraw/zinc/14/55/84/183145584.db2.gz	WIVQIQQCUPQEGH-UHFFFAOYSA-N	-1	1	315.166	4.681	10	0	in-vivo	DJAEMM
[O-]c1ccc(Br)cc1-c1nc2cc(Cl)ccc2o1	ZINC000584638339	337379501	/nfs/dbraw/zinc/37/95/01/337379501.db2.gz	PEADODMECRBZHF-UHFFFAOYSA-N	-1	1	324.561	4.616	10	0		DJAEMM
COc1cc(Cl)c(C)cc1NCc1ccc([O-])c(Cl)c1	ZINC000043476687	183365958	/nfs/dbraw/zinc/36/59/58/183365958.db2.gz	RWDSDJAIHKWWSP-UHFFFAOYSA-N	-1	1	312.196	4.628	10	0		DJAEMM
[O-]c1ccc(CNc2ccc(C(F)(F)F)cc2)cc1Cl	ZINC000043476736	183365896	/nfs/dbraw/zinc/36/58/96/183365896.db2.gz	NRTPRCRHRJUMPD-UHFFFAOYSA-N	-1	1	301.695	4.677	10	0		DJAEMM
CCCCCCc1c([O-])c2cccc3c4c(n(c32)c1=O)CCCC4	ZINC000003956983	181059793	/nfs/dbraw/zinc/05/97/93/181059793.db2.gz	QLCVGBDWQAABET-UHFFFAOYSA-N	-1	1	323.436	4.598	10	0		DJAEMM
COc1ccc(-c2ccc(Cl)c([O-])c2)cc1C(F)(F)F	ZINC000065343652	184325283	/nfs/dbraw/zinc/32/52/83/184325283.db2.gz	QOZUREZNGKOTBF-UHFFFAOYSA-N	-1	1	302.679	4.740	10	0		DJAEMM
COc1ccc(C(F)(F)F)cc1-c1ccc([O-])c(Cl)c1	ZINC000065343644	184325622	/nfs/dbraw/zinc/32/56/22/184325622.db2.gz	GZSQRSJPIQUBMP-UHFFFAOYSA-N	-1	1	302.679	4.740	10	0		DJAEMM
CC(C)=CCC/C(C)=C/COc1cc([O-])cc2oc(=O)ccc12	ZINC000013481534	560217375	/nfs/dbraw/zinc/21/73/75/560217375.db2.gz	WLGKAJXVMRUMDU-NTEUORMPSA-N	-1	1	314.381	4.570	10	0	biogenic,in-vitro	DJAEMM
O=S(=O)([N-]c1ccccc1)c1ccc(C2CCCCC2)cc1	ZINC000000289005	180748786	/nfs/dbraw/zinc/74/87/86/180748786.db2.gz	TZNOWQMLXLYAEM-UHFFFAOYSA-N	-1	1	315.438	4.535	10	0		DJAEMM
[O-]c1ccc(CNc2cccc(C(F)(F)F)c2)cc1Cl	ZINC000043476693	183366092	/nfs/dbraw/zinc/36/60/92/183366092.db2.gz	ZLIPJBIHKQQTBN-UHFFFAOYSA-N	-1	1	301.695	4.677	10	0		DJAEMM
[O-]c1ccc(CNc2cc(Cl)ccc2Cl)cc1Cl	ZINC000043476655	183365634	/nfs/dbraw/zinc/36/56/34/183365634.db2.gz	YHHBHSQSPAKXFO-UHFFFAOYSA-N	-1	1	302.588	4.965	10	0		DJAEMM
[O-]c1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl	ZINC000043476770	183366007	/nfs/dbraw/zinc/36/60/07/183366007.db2.gz	AMTNAFDKAOWJKJ-UHFFFAOYSA-N	-1	1	302.588	4.965	10	0		DJAEMM
CC(C)COc1ccccc1NCc1ccc([O-])c(Cl)c1	ZINC000043488286	183366427	/nfs/dbraw/zinc/36/64/27/183366427.db2.gz	JFQJHYZLUDNNOV-UHFFFAOYSA-N	-1	1	305.805	4.693	10	0		DJAEMM
COc1ccc(-c2ccc([O-])c(Cl)c2)cc1C(F)(F)F	ZINC000065343649	184325354	/nfs/dbraw/zinc/32/53/54/184325354.db2.gz	PZTXXDIFTXEVMY-UHFFFAOYSA-N	-1	1	302.679	4.740	10	0		DJAEMM
CC(C)COc1cccc(NCc2ccc([O-])c(Cl)c2)c1	ZINC000043488223	183366334	/nfs/dbraw/zinc/36/63/34/183366334.db2.gz	SQCFZHCAZSGDNF-UHFFFAOYSA-N	-1	1	305.805	4.693	10	0		DJAEMM
[O-]c1ccc(CNc2cc(Cl)cc(Cl)c2)cc1Cl	ZINC000043476745	183365828	/nfs/dbraw/zinc/36/58/28/183365828.db2.gz	CVMVXNPDPXKFCY-UHFFFAOYSA-N	-1	1	302.588	4.965	10	0		DJAEMM