smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3ccc4cccnc4c3n1)CC2	ZINC001164664558	719347861	/nfs/dbraw/zinc/34/78/61/719347861.db2.gz	YKZADSGPYFVZNM-UHFFFAOYSA-N	1	2	474.612	5.478	20	5		JKBDLO
CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3ccc4cccnc4c3n1)CC2	ZINC001164664558	719347863	/nfs/dbraw/zinc/34/78/63/719347863.db2.gz	YKZADSGPYFVZNM-UHFFFAOYSA-N	1	2	474.612	5.478	20	5		JKBDLO
CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)c3cc([N+](=O)[O-])ccc3n1)CC2	ZINC001164663497	719347618	/nfs/dbraw/zinc/34/76/18/719347618.db2.gz	ILEJSLZKVPEDPO-UHFFFAOYSA-N	1	2	482.588	5.146	20	5		JKBDLO
CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)c3cc([N+](=O)[O-])ccc3n1)CC2	ZINC001164663497	719347622	/nfs/dbraw/zinc/34/76/22/719347622.db2.gz	ILEJSLZKVPEDPO-UHFFFAOYSA-N	1	2	482.588	5.146	20	5		JKBDLO
Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc4ccc5ccc(Cl)nc5c4n2)CC3)cc1	ZINC001164670296	719510796	/nfs/dbraw/zinc/51/07/96/719510796.db2.gz	CQOSVNYAFMGFLG-UHFFFAOYSA-N	1	2	476.983	5.447	20	5		JKBDLO
Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc4ccc5ccc(Cl)nc5c4n2)CC3)cc1	ZINC001164670296	719510804	/nfs/dbraw/zinc/51/08/04/719510804.db2.gz	CQOSVNYAFMGFLG-UHFFFAOYSA-N	1	2	476.983	5.447	20	5		JKBDLO