smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCO1	ZINC000155364524	436794511	/nfs/dbraw/zinc/79/45/11/436794511.db2.gz	CZVCFBQVVGPGAW-KRWDZBQOSA-N	0	3	334.464	0.631	10	10		ECCEHN
CN(C)C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	ZINC000105923936	436586490	/nfs/dbraw/zinc/58/64/90/436586490.db2.gz	FIXJTLOWVDEGFS-GOSISDBHSA-N	0	3	348.491	0.973	10	10		ECCEHN
COc1ccc(N2CCN([C@H](C)C(=O)NCCN(C)C)CC2)cc1	ZINC000034684268	132388447	/nfs/dbraw/zinc/38/84/47/132388447.db2.gz	YVLSFIAVBMZPTM-OAHLLOKOSA-N	0	3	334.464	0.884	10	10		ECCEHN
COc1ccc(N2CCN([C@@H](C)C(=O)NCCN(C)C)CC2)cc1	ZINC000034684267	536700747	/nfs/dbraw/zinc/70/07/47/536700747.db2.gz	YVLSFIAVBMZPTM-HNNXBMFYSA-N	0	3	334.464	0.884	10	10		ECCEHN
CN(C)C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCO1	ZINC000155364417	282127326	/nfs/dbraw/zinc/12/73/26/282127326.db2.gz	CZVCFBQVVGPGAW-QGZVFWFLSA-N	0	3	334.464	0.631	10	10		ECCEHN
O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1O)c1ccncc1	ZINC000077265265	202392188	/nfs/dbraw/zinc/39/21/88/202392188.db2.gz	RSKNKUHCBWILOX-OIISXLGYSA-N	0	3	343.383	0.435	10	10		ECCEHN
CN(C)C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	ZINC000105923939	436585877	/nfs/dbraw/zinc/58/58/77/436585877.db2.gz	FIXJTLOWVDEGFS-SFHVURJKSA-N	0	3	348.491	0.973	10	10		ECCEHN