smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCC[C@H](N)C(=O)N1CCCCC1 ZINC000013529495 181323284 /nfs/dbraw/zinc/32/32/84/181323284.db2.gz BJEKZAHKFCREOG-VIFPVBQESA-N 1 3 241.339 -0.620 1 30 BBEFHO NC(=[NH2+])NCCC[C@@H](N)C(=O)N1CCCCC1 ZINC000027557966 181323055 /nfs/dbraw/zinc/32/30/55/181323055.db2.gz BJEKZAHKFCREOG-SECBINFHSA-N 1 3 241.339 -0.620 1 30 BBEFHO N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC000095586229 181061699 /nfs/dbraw/zinc/06/16/99/181061699.db2.gz BVSOWHKXCNTPHK-RHYQMDGZSA-N 1 3 248.330 -0.174 1 30 BBEFHO