smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(=N\[O-])c1cccc(OCc2ccc(Cl)cc2Cl)c1	ZINC000020560102	182232603	/nfs/dbraw/zinc/23/26/03/182232603.db2.gz	YKKDHPFZGFGMQG-VCHYOVAHSA-N	-1	1	310.180	4.771	10	30		DJEEMM
O=C1c2sccc2C([O-])=C(CCCC2CCCCC2)C1=O	ZINC000584596774	337374141	/nfs/dbraw/zinc/37/41/41/337374141.db2.gz	XRFOJWKKWGRGNQ-UHFFFAOYSA-N	-1	1	304.411	4.690	10	30		DJEEMM
CC(C)c1cc(C=O)c([C@@]2(C)CCCC(C)(C)[C@@H]2C=O)cc1[O-]	ZINC000014508468	563556854	/nfs/dbraw/zinc/55/68/54/563556854.db2.gz	WFKAJHXRTWDPAT-AZUAARDMSA-N	-1	1	316.441	4.611	10	30	biogenic,in-vitro	DJEEMM
N#Cc1cc(-c2cccc(OCc3ccccc3)c2)ccc1[O-]	ZINC000065341693	184325762	/nfs/dbraw/zinc/32/57/62/184325762.db2.gz	RRTXNYIGRFIEBH-UHFFFAOYSA-N	-1	1	301.345	4.510	10	30		DJEEMM
CC(C)c1cc(C=O)c([C@@]2(C)CCCC(C)(C)[C@H]2C=O)cc1[O-]	ZINC000014508473	563910656	/nfs/dbraw/zinc/91/06/56/563910656.db2.gz	WFKAJHXRTWDPAT-UYAOXDASSA-N	-1	1	316.441	4.611	10	30	biogenic	DJEEMM
N#Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1[O-]	ZINC000065341697	184325511	/nfs/dbraw/zinc/32/55/11/184325511.db2.gz	FKKQQTFBBCXBFZ-UHFFFAOYSA-N	-1	1	301.345	4.510	10	30		DJEEMM
N#Cc1ccc(-c2ccccc2OCc2ccccc2)cc1[O-]	ZINC000065341691	184325414	/nfs/dbraw/zinc/32/54/14/184325414.db2.gz	LRMBSSZDTQZQOM-UHFFFAOYSA-N	-1	1	301.345	4.510	10	30		DJEEMM
CC(C)c1cc2c(cc1[O-])[C@@]1(C)CCCC(C)(C)C1C(=O)C2=O	ZINC000033495749	563592579	/nfs/dbraw/zinc/59/25/79/563592579.db2.gz	XLUHSPYVUOVWRM-HXUWFJFHSA-N	-1	1	314.425	4.992	10	30	biogenic,in-vitro	DJEEMM
N#Cc1ccc(-c2cccc(OCc3ccccc3)c2)cc1[O-]	ZINC000065341694	184325380	/nfs/dbraw/zinc/32/53/80/184325380.db2.gz	URALZISBVXDKDE-UHFFFAOYSA-N	-1	1	301.345	4.510	10	30		DJEEMM
CCCCCCCCCCC1=C([O-])C(=O)c2cccnc2C1=O	ZINC000584637641	337379529	/nfs/dbraw/zinc/37/95/29/337379529.db2.gz	SLDLDQJFLMHPRP-UHFFFAOYSA-N	-1	1	315.413	4.804	10	30		DJEEMM
CC(C)c1cc2c(cc1[O-])[C@]1(C)CCCC(C)(C)C1C(=O)C2=O	ZINC000095910595	560058579	/nfs/dbraw/zinc/05/85/79/560058579.db2.gz	XLUHSPYVUOVWRM-FQEVSTJZSA-N	-1	1	314.425	4.992	10	30	biogenic,in-vitro	DJEEMM
CC(C)=CCCc1c(C)ccc2c1C(=O)C(=O)C(C(C)C)=C2[O-]	ZINC000005723422	563555877	/nfs/dbraw/zinc/55/58/77/563555877.db2.gz	NUNZPHDNWXNHOU-UHFFFAOYSA-N	-1	1	312.409	4.741	10	30	biogenic	DJEEMM