smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)O[C@H]2O[C@H]([C@@H](O)C[NH+](C[C@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3N=[N+]=[N-])[C@@H]3[C@H](O)[C@H]4CO[C@H](O4)[C@H]3O)[C@H](N=[N+]=[N-])[C@H]2O1 ZINC000261493226 572111906 /nfs/dbraw/zinc/11/19/06/572111906.db2.gz HMOLJPGLBRFZGH-HAVGVJPESA-N 1 0 615.597 -1.034 50 10 KACARO CC1(C)O[C@H]2O[C@H]([C@H](O)C[N@@H+](C[C@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3N=[N+]=[N-])[C@@H]3[C@H](O)[C@H]4CO[C@H](O4)[C@H]3O)[C@H](N=[N+]=[N-])[C@H]2O1 ZINC000261493227 572111967 /nfs/dbraw/zinc/11/19/67/572111967.db2.gz HMOLJPGLBRFZGH-OICXWKJLSA-N 1 0 615.597 -1.034 50 10 KACARO CC1(C)O[C@H]2O[C@H]([C@H](O)C[NH+](C[C@@H](O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3N=[N+]=[N-])[C@@H]3[C@H](O)[C@H]4CO[C@H](O4)[C@H]3O)[C@H](N=[N+]=[N-])[C@H]2O1 ZINC000261493228 572111859 /nfs/dbraw/zinc/11/18/59/572111859.db2.gz HMOLJPGLBRFZGH-WHQOPTAHSA-N 1 0 615.597 -1.034 50 10 KACARO CC1(C)O[C@H]2O[C@H]([C@H](O)CN[C@@H]3C[C@H]([NH2+]C[C@H](O)[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]4N=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]3O)[C@H](N=[N+]=[N-])[C@H]2O1 ZINC000261493244 572112041 /nfs/dbraw/zinc/11/20/41/572112041.db2.gz JRFVGNKTIBZRKF-GHJIPYJDSA-N 1 0 616.629 -1.778 50 10 KACARO CC1(C)O[C@H]2O[C@H]([C@H](O)CN[C@@H]3C[C@H]([NH2+]C[C@@H](O)[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]4N=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]3O)[C@H](N=[N+]=[N-])[C@H]2O1 ZINC000261493245 572112020 /nfs/dbraw/zinc/11/20/20/572112020.db2.gz JRFVGNKTIBZRKF-PXLRTUTLSA-N 1 0 616.629 -1.778 50 10 KACARO CC1(C)O[C@H]2O[C@H]([C@@H](O)CN[C@@H]3C[C@H]([NH2+]C[C@H](O)[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]4N=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]3O)[C@H](N=[N+]=[N-])[C@H]2O1 ZINC000261493246 572111934 /nfs/dbraw/zinc/11/19/34/572111934.db2.gz JRFVGNKTIBZRKF-XHIJABRBSA-N 1 0 616.629 -1.778 50 10 KACARO CC1(C)O[C@H]2O[C@H]([C@H](O)CN[C@H]3C[C@@H]([NH2+]C[C@H](O)[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]4N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]3O)[C@H](N=[N+]=[N-])[C@H]2O1 ZINC000261493247 572111954 /nfs/dbraw/zinc/11/19/54/572111954.db2.gz JRFVGNKTIBZRKF-ZPKFQEPMSA-N 1 0 616.629 -1.778 50 10 KACARO