smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc2ccccc2c1[C@@H](c1ccc(OCC[NH+]2CCCC2)cc1)[NH+]1CCC(O)CC1	ZINC000072181123	563167146	/nfs/dbraw/zinc/16/71/46/563167146.db2.gz	NFPWJXGMKZJZEM-MUUNZHRXSA-N	1	3	446.591	4.566	1	10		IJCFHO
[O-]c1ccc2ccccc2c1[C@H](c1ccc(OCC[NH+]2CCCC2)cc1)[NH+]1CCC(O)CC1	ZINC000072181124	563167150	/nfs/dbraw/zinc/16/71/50/563167150.db2.gz	NFPWJXGMKZJZEM-NDEPHWFRSA-N	1	3	446.591	4.566	1	10		IJCFHO
CC[NH+](CC)CCOc1ccc([C@H](c2c([O-])ccc3ccccc32)[NH+]2CCC(O)CC2)cc1	ZINC000072180881	563167061	/nfs/dbraw/zinc/16/70/61/563167061.db2.gz	PULMJVJZPHXZQN-MUUNZHRXSA-N	1	3	448.607	4.812	1	10		IJCFHO
C[NH+](C)CCCC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc32)c1	ZINC000026944043	563037964	/nfs/dbraw/zinc/03/79/64/563037964.db2.gz	BIJBBQOFQUEJCL-UHFFFAOYSA-N	1	3	428.536	4.904	1	10		IJCFHO
[O-]c1c(O)ccc(CC[NH2+]CCCCCC[NH2+]CCc2ccc(Cl)cc2)c1Cl	ZINC000045322009	563130325	/nfs/dbraw/zinc/13/03/25/563130325.db2.gz	ZSHSQUDPXBDHDD-UHFFFAOYSA-N	1	3	425.400	4.929	1	10		IJCFHO
COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCNC(=O)CCC[NH3+])c2c1	ZINC000028713301	563063056	/nfs/dbraw/zinc/06/30/56/563063056.db2.gz	WYJBTGKEINEXNY-UHFFFAOYSA-N	1	3	442.991	4.877	1	10		IJCFHO
CC[NH+](CC)CCOc1ccc([C@@H](c2c([O-])ccc3ccccc32)[NH+]2CCC(O)CC2)cc1	ZINC000072180880	563167041	/nfs/dbraw/zinc/16/70/41/563167041.db2.gz	PULMJVJZPHXZQN-NDEPHWFRSA-N	1	3	448.607	4.812	1	10		IJCFHO