smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H](c2ccccc2)[N+](=O)[O-])cc1	ZINC000001715100	570341434	/nfs/dbraw/zinc/34/14/34/570341434.db2.gz	BQYGWJZQQPXFAJ-FYYLOGMGSA-N	0	2	375.424	5.070	40	5		GKBBLN
O=c1ccc2c(COc3ccc(Cl)cc3Cl)c3ccc(O)cc3oc-2c1	ZINC000004582279	570385954	/nfs/dbraw/zinc/38/59/54/570385954.db2.gz	ROPGBEHIXZPYTH-UHFFFAOYSA-N	0	2	387.218	5.489	40	5		GKBBLN
CC(C)=CCc1c(O)c2c(O)c3cccc(O)c3oc-2c(CC=C(C)C)c1=O	ZINC000005849312	574412594	/nfs/dbraw/zinc/41/25/94/574412594.db2.gz	GVQOVMKBYJKZSY-UHFFFAOYSA-N	0	2	380.440	5.080	40	5	endogenous,in-man	GKBBLN
CCOC(=O)c1cc(-c2ccc3ccccc3n2)c(O)c2cc3ccccc3nc12	ZINC000005422571	204130299	/nfs/dbraw/zinc/13/02/99/204130299.db2.gz	OCTWLNGWNHRLBM-UHFFFAOYSA-N	0	2	394.430	5.486	40	5		GKBBLN
COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@@H](c2ccccc2)[N+](=O)[O-])cc1	ZINC000001715099	570341461	/nfs/dbraw/zinc/34/14/61/570341461.db2.gz	BQYGWJZQQPXFAJ-JTHBVZDNSA-N	0	2	375.424	5.070	40	5		GKBBLN
COc1ccc(C(=O)C[C@H](c2ccccc2)[C@H](c2ccccc2)[N+](=O)[O-])cc1	ZINC000001715102	209337031	/nfs/dbraw/zinc/33/70/31/209337031.db2.gz	BQYGWJZQQPXFAJ-GGAORHGYSA-N	0	2	375.424	5.070	40	5		GKBBLN
COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H](c2ccccc2)[N+](=O)[O-])cc1	ZINC000001715101	570341487	/nfs/dbraw/zinc/34/14/87/570341487.db2.gz	BQYGWJZQQPXFAJ-GMAHTHKFSA-N	0	2	375.424	5.070	40	5		GKBBLN
N=c1[nH]nc(/C(=C/c2c3ccccc3cc3ccccc32)c2ccccc2)s1	ZINC000408718428	231105138	/nfs/dbraw/zinc/10/51/38/231105138.db2.gz	XQRFCUHGZHPGPH-RCCKNPSSSA-N	0	2	379.488	5.846	40	5		GKBBLN