smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCCNC(N)=[NH2+])ccc12 ZINC000073542284 569704611 /nfs/dbraw/zinc/70/46/11/569704611.db2.gz GYCFVTDDPZJPRH-JKSUJKDBSA-N 2 1 487.565 -1.041 40 30 JAEBMP Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCNC(N)=[NH2+])ccc12 ZINC000098043870 569749866 /nfs/dbraw/zinc/74/98/66/569749866.db2.gz GYCFVTDDPZJPRH-HZPDHXFCSA-N 2 1 487.565 -1.041 40 30 JAEBMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCNC(N)=[NH2+])ccc12 ZINC000098043871 569749792 /nfs/dbraw/zinc/74/97/92/569749792.db2.gz GYCFVTDDPZJPRH-CVEARBPZSA-N 2 1 487.565 -1.041 40 30 JAEBMP