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+](C)(CC)Cc1ccc(OC(C)C)c(C[N+](C)(CC)CC)c1	ZINC000000552543	564022998	/nfs/dbraw/zinc/02/29/98/564022998.db2.gz	SCTQOFGYLWLJFC-UHFFFAOYSA-N	2	0	336.564	4.447	50	5		EIBARP
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1	ZINC000058418548	564159073	/nfs/dbraw/zinc/15/90/73/564159073.db2.gz	NSQHVPAOOHZCSN-QGZVFWFLSA-N	2	0	345.487	4.100	50	5		EIBARP
[NH3+]CCSc1c2ccccc2c(SCC[NH3+])c2ccccc21	ZINC000003145106	563474262	/nfs/dbraw/zinc/47/42/62/563474262.db2.gz	RLPBUWHUIMRPDD-UHFFFAOYSA-N	2	0	328.506	4.095	50	5		EIBARP
CCCC[N+](C)(CCCC)CC(O)C[N+](C)(CCCC)CCCC	ZINC000005421321	563531969	/nfs/dbraw/zinc/53/19/69/563531969.db2.gz	OLGCYBYMBLDHNF-UHFFFAOYSA-N	2	0	344.628	4.441	50	5		EIBARP
C[N+](C)(CCCCCC[N+](C)(C)Cc1ccco1)Cc1ccco1	ZINC000670425657	564153749	/nfs/dbraw/zinc/15/37/49/564153749.db2.gz	LLIUVSRWFHKAML-UHFFFAOYSA-N	2	0	334.504	4.286	50	5		EIBARP
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1	ZINC000058418545	564159075	/nfs/dbraw/zinc/15/90/75/564159075.db2.gz	NSQHVPAOOHZCSN-KRWDZBQOSA-N	2	0	345.487	4.100	50	5		EIBARP