smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(O)c([N+](=O)[O-])cc3C=C[C@@H]12	ZINC000027524396	202156508	/nfs/dbraw/zinc/15/65/08/202156508.db2.gz	UHXCIPYBXDKOGN-NXHRZFHOSA-N	0	2	331.368	3.564	1	5		EHBFLN
O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)-c1ccccc1SC2	ZINC000101481745	219128465	/nfs/dbraw/zinc/12/84/65/219128465.db2.gz	XQHLYIMTWYSZRW-UHFFFAOYSA-N	0	2	325.349	3.759	1	5		EHBFLN
O=C(O)c1cn(C2CC2)c2c3[nH]c4ccsc4c3c(F)cc2c1=O	ZINC000058576574	214597428	/nfs/dbraw/zinc/59/74/28/214597428.db2.gz	PHOLFMMCGGYQBF-UHFFFAOYSA-N	0	2	342.351	3.870	1	5		EHBFLN
C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c(O)c(C=O)c4CC[C@H]3[C@@H]1CCC2=O	ZINC000072127562	216018193	/nfs/dbraw/zinc/01/81/93/216018193.db2.gz	PHZLNYHJRCTTOZ-RHQBZFHZSA-N	0	2	343.379	3.538	1	5		EHBFLN