smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(Cn2c[nH+]cc2C[NH2+][C@H]2CCN(CCc3ccccc3)C2=O)cc1 ZINC000013863848 581100987 /nfs/dbraw/zinc/10/09/87/581100987.db2.gz CFMXTSHLOSTNDP-QHCPKHFHSA-N 2 2 399.498 2.736 1 30 GFEFLP N#Cc1ccc(Cn2c[nH+]cc2CC[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000013863853 581101107 /nfs/dbraw/zinc/10/11/07/581101107.db2.gz OVIRLMBMKPLLBQ-HSZRJFAPSA-N 2 2 399.498 2.736 1 30 GFEFLP N#Cc1ccc(Cn2c[nH+]cc2CC[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000013863851 581101124 /nfs/dbraw/zinc/10/11/24/581101124.db2.gz SBIMUGAYTIMITB-JOCHJYFZSA-N 2 2 385.471 2.741 1 30 GFEFLP