smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC(C#N)[C@@H](c1cccs1)C(Sc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1	ZINC000100636974	526429096	/nfs/dbraw/zinc/42/90/96/526429096.db2.gz	WLVAMRSUUDISIA-VSRNGQBXSA-N	0	2	433.514	6.122	10	30		IKEELN
C=C(C)[C@H](CC=C(C)C)Cc1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)cc3O)oc1-2	ZINC000033832193	556638717	/nfs/dbraw/zinc/63/87/17/556638717.db2.gz	WAAPHYJTKSTXSX-CQSZACIVSA-N	0	2	438.476	5.079	10	30	biogenic,in-vitro	IKEELN
O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1cc([N+](=O)[O-])ccc1O	ZINC000027468517	569215239	/nfs/dbraw/zinc/21/52/39/569215239.db2.gz	ZJKOPURJNGGHLD-WSDLNYQXSA-N	0	2	425.238	5.045	10	30		IKEELN
O=C(O)Oc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(C3CCCCC3)C2=O)c1	ZINC000060311020	527642834	/nfs/dbraw/zinc/64/28/34/527642834.db2.gz	YAGLYSNBIHAEMK-YVADOFBFSA-N	0	2	436.533	5.549	10	30		IKEELN
Cc1cc(O)c(C(C)C)cc1/N=C/c1cc(Br)c(O)c(Br)c1	ZINC000059506301	563146638	/nfs/dbraw/zinc/14/66/38/563146638.db2.gz	QCDAWJOLBNAMIZ-DNTJNYDQSA-N	0	2	427.136	5.805	10	30		IKEELN