smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](N)CCC[NH3+] ZINC000073240709 216367823 /nfs/dbraw/zinc/36/78/23/216367823.db2.gz ZAJURRMQGXZAIH-CVEARBPZSA-N 1 3 348.491 1.085 1 0 EDAFHO O=C(Nc1ccc(C2=[NH+]CCN2)cc1)c1ccc(C2=NCCN2)cc1 ZINC000103258082 204070914 /nfs/dbraw/zinc/07/09/14/204070914.db2.gz IQOAKMRPXDYBPD-UHFFFAOYSA-N 1 3 333.395 1.639 1 0 EDAFHO CC1(C)C=C(C(=O)NC[C@H](O)CNCc2cccs2)C(C)(C)[NH2+]1 ZINC000040828603 213391161 /nfs/dbraw/zinc/39/11/61/213391161.db2.gz BHKJDHUTVPRBGQ-GFCCVEGCSA-N 1 3 337.489 1.402 1 0 EDAFHO