smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(Cc2c3ccccc3[nH+]c3ccccc32)c2ccc(O)cc2o1	ZINC000064527820	212039052	/nfs/dbraw/zinc/03/90/52/212039052.db2.gz	GFPNKXNBLCXNBK-UHFFFAOYSA-N	1	2	353.377	4.791	1	5		FJBFLO
c1ccc(COC[C@H]2Nc3ccc4cc5ccccc5[nH+]c4c3CO2)cc1	ZINC000040762693	211758775	/nfs/dbraw/zinc/75/87/75/211758775.db2.gz	PLGKYLWPTNKXFR-QFIPXVFZSA-N	1	2	356.425	4.873	1	5		FJBFLO
COC(=O)[C@H](c1ccc(OC)cc1)c1c2ccccc2[nH+]c2ccccc21	ZINC000026816024	518015429	/nfs/dbraw/zinc/01/54/29/518015429.db2.gz	KBQGRULKAIRHCV-OAQYLSRUSA-N	1	2	357.409	4.702	1	5		FJBFLO
O=c1cc(Cc2c3ccccc3[nH+]c3ccccc32)c2cc(O)ccc2o1	ZINC000064527084	205298499	/nfs/dbraw/zinc/29/84/99/205298499.db2.gz	YJDVRJDMYWBOIM-UHFFFAOYSA-N	1	2	353.377	4.791	1	5		FJBFLO
O=c1oc2ccccc2cc1-c1nc2ccccc2c2[nH+]c3ccccc3n21	ZINC000066252776	205365656	/nfs/dbraw/zinc/36/56/56/205365656.db2.gz	BMQANLYDXHBRTI-UHFFFAOYSA-N	1	2	363.376	4.809	1	5		FJBFLO
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc4cc5ccccc5[nH+]c4c3CO2)cc1	ZINC000034867555	208113796	/nfs/dbraw/zinc/11/37/96/208113796.db2.gz	PJTRLRACXVEWHX-OAQYLSRUSA-N	1	2	357.369	4.937	1	5		FJBFLO
Oc1ccc2cc(-c3nc4ccccc4[nH]3)c3[nH+]c4ccccc4n3c2c1	ZINC000001511560	206886924	/nfs/dbraw/zinc/88/69/24/206886924.db2.gz	OYIQMGCLJSASEW-UHFFFAOYSA-N	1	2	350.381	4.890	1	5		FJBFLO
c1ccc(COC[C@@H]2Nc3ccc4cc5ccccc5[nH+]c4c3CO2)cc1	ZINC000040762691	208269298	/nfs/dbraw/zinc/26/92/98/208269298.db2.gz	PLGKYLWPTNKXFR-JOCHJYFZSA-N	1	2	356.425	4.873	1	5		FJBFLO
COc1cccc(N2CCN(c3[nH+]c4ccccc4c4ccccc43)CC2)c1	ZINC000103264637	132237302	/nfs/dbraw/zinc/23/73/02/132237302.db2.gz	MYMMSWBWIXNQMB-UHFFFAOYSA-N	1	2	369.468	4.723	1	5		FJBFLO