smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2ccnc3ccn4c[nH+]c1c4c23	ZINC000014589417	175027554	/nfs/dbraw/zinc/02/75/54/175027554.db2.gz	OTCDZQGGBMJUOA-UHFFFAOYSA-N	1	2	223.235	2.482	1	5		BEBFLO
Cc1cc([N+](=O)[O-])ccc1Cn1cc[nH+]c1	ZINC000040465840	178271640	/nfs/dbraw/zinc/27/16/40/178271640.db2.gz	SDWXRYIAMVYSNC-UHFFFAOYSA-N	1	2	217.228	2.148	1	5		BEBFLO
O=[N+]([O-])c1ccc(SCc2c[nH+]c[nH]2)nc1	ZINC000013743069	187251272	/nfs/dbraw/zinc/25/12/72/187251272.db2.gz	AYCCHKHRXVVMGA-UHFFFAOYSA-N	1	2	236.256	2.005	1	5		BEBFLO
O=[N+]([O-])c1ccc(SCc2c[nH]c[nH+]2)nc1	ZINC000013743069	187251274	/nfs/dbraw/zinc/25/12/74/187251274.db2.gz	AYCCHKHRXVVMGA-UHFFFAOYSA-N	1	2	236.256	2.005	1	5		BEBFLO
Cc1nc2c3ccccc3cc[n+]2c(C)c1O	ZINC000013981525	180073774	/nfs/dbraw/zinc/07/37/74/180073774.db2.gz	IIAHSBNBHXMKSO-UHFFFAOYSA-O	1	2	225.271	2.296	1	5		BEBFLO