smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)N(C)C(=O)C(Cc2ccc(OC[C@@H](O)c3ccccc3)cc2)(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O ZINC000217409286 571601326 /nfs/dbraw/zinc/60/13/26/571601326.db2.gz VOYKGCIIGXHHRT-FKIGELJASA-N 1 0 584.673 2.659 50 70 KFIARO CN1C(=O)N(C)C(=O)C(Cc2ccc(OC[C@H](O)c3ccccc3)cc2)(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O ZINC000217409365 571601431 /nfs/dbraw/zinc/60/14/31/571601431.db2.gz VOYKGCIIGXHHRT-CRRLPVGBSA-N 1 0 584.673 2.659 50 70 KFIARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)C1=O ZINC000217599116 571601766 /nfs/dbraw/zinc/60/17/66/571601766.db2.gz JFSACOGEXOVPMC-KGPRRQHISA-N 1 0 528.030 2.976 50 70 KFIARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](Cc3ccccc3)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O ZINC000217674444 571602303 /nfs/dbraw/zinc/60/23/03/571602303.db2.gz SIHWJLLANVMQEL-WTBAIAJFSA-N 1 0 509.562 2.812 50 70 KFIARO