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)c1cccc2c1cccc2S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1CC[NH+](C)CC1 ZINC000027893714 563053037 /nfs/dbraw/zinc/05/30/37/563053037.db2.gz SJGCOWWGOKCGAS-LJQANCHMSA-N 2 1 489.646 0.380 1 30 JCEFMP CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CC[NH+](C)CC1 ZINC000027893719 563052994 /nfs/dbraw/zinc/05/29/94/563052994.db2.gz SJGCOWWGOKCGAS-IBGZPJMESA-N 2 1 489.646 0.380 1 30 JCEFMP CC(C)[C@H](NC(=O)[C@H]([NH3+])c1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000036184943 563123824 /nfs/dbraw/zinc/12/38/24/563123824.db2.gz DIOYXVUPZCHCPQ-BBWFWOEESA-N 2 1 473.603 0.705 1 30 JCEFMP