smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1[O-]	ZINC000169323604	136197217	/nfs/dbraw/zinc/19/72/17/136197217.db2.gz	MBMZSMSWYWIIFK-UHFFFAOYSA-N	-1	1	391.427	4.696	1	5		GJBFMM
CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(cc([O-])c5c4C=CC(C)(C)O5)oc23)O1	ZINC000013412018	291140332	/nfs/dbraw/zinc/14/03/32/291140332.db2.gz	SVAULSXFOCUPQP-UHFFFAOYSA-N	-1	1	392.407	4.726	1	5	biogenic,in-vitro	GJBFMM
CC(C)=CCc1c2c(c3oc4c([O-])cccc4c(=O)c3c1O)C(C)(C)[C@@H](C)O2	ZINC000013382738	291139894	/nfs/dbraw/zinc/13/98/94/291139894.db2.gz	MSWPZQDOORASGL-GFCCVEGCSA-N	-1	1	380.440	4.925	1	5	biogenic,in-vitro	GJBFMM
CC(C)=CCc1c(O)c2c(=O)c3cccc([O-])c3oc2c2c1OC(C)(C)CC2	ZINC000014610234	207025047	/nfs/dbraw/zinc/02/50/47/207025047.db2.gz	KNIWDQZUTDLRKZ-UHFFFAOYSA-N	-1	1	380.440	4.970	1	5	biogenic,in-vitro	GJBFMM
CC(C)=CCc1ccc([O-])c2oc3cc4c(c(O)c3c(=O)c12)CCC(C)(C)O4	ZINC000014613748	207025192	/nfs/dbraw/zinc/02/51/92/207025192.db2.gz	ZNUHDTCPGJNVHM-UHFFFAOYSA-N	-1	1	380.440	4.970	1	5	biogenic,in-vitro	GJBFMM
CC(=O)c1c(=O)c2cc(Cl)cc([N+](=O)[O-])c2[n-]c1Nc1ccc(F)cc1	ZINC000084614674	222317764	/nfs/dbraw/zinc/31/77/64/222317764.db2.gz	FQCHKWCUQOMVKL-UHFFFAOYSA-N	-1	1	375.743	4.587	1	5		GJBFMM
CC1(C)C=Cc2c(O)c3c(cc2O1)oc1cc([O-])c2c(c1c3=O)C=CC(C)(C)O2	ZINC000014766824	291140362	/nfs/dbraw/zinc/14/03/62/291140362.db2.gz	CPBXNYZFGKIZDX-UHFFFAOYSA-N	-1	1	392.407	4.726	1	5	biogenic,in-vitro	GJBFMM