smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CN1CC(=O)[O+]=N1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000020878080	527193839	/nfs/dbraw/zinc/19/38/39/527193839.db2.gz	LXTMUTRDVRVJFE-QGZVFWFLSA-O	2	0	430.485	0.205	50	30		ICEARP
O=C(CN1CC(=O)[O+]=N1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000020878083	527194642	/nfs/dbraw/zinc/19/46/42/527194642.db2.gz	LXTMUTRDVRVJFE-KRWDZBQOSA-O	2	0	430.485	0.205	50	30		ICEARP
NC(=[NH2+])NCCCS(=O)(=O)N(CCNC(N)=[NH2+])Cc1ccc(-c2ccccc2)cc1	ZINC000095946290	526817844	/nfs/dbraw/zinc/81/78/44/526817844.db2.gz	ZYTVZFRCAUQICP-UHFFFAOYSA-N	2	0	431.566	0.632	50	30		ICEARP
O=c1c(/C=N/CCCN2CCOCC2)c(NCCCN2CCOCC2)nc2ccccn21	ZINC000096517721	569182671	/nfs/dbraw/zinc/18/26/71/569182671.db2.gz	ZMXIMAGIPWQORV-LYBHJNIJSA-N	2	0	442.564	0.970	50	30		ICEARP