smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[NH+]2CCC(Cn3cc[nH+]c3C)CC2)ccc1N1CCCC1 ZINC000072391766 571189936 /nfs/dbraw/zinc/18/99/36/571189936.db2.gz KWVOSYATNFQJAO-UHFFFAOYSA-N 2 1 368.525 3.713 40 10 FHCBMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)c(F)c2)C1 ZINC000019659113 211243455 /nfs/dbraw/zinc/24/34/55/211243455.db2.gz YINUDLQMVKPWBF-LJQANCHMSA-N 2 1 356.489 3.843 40 10 FHCBMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)c(F)c2)C1 ZINC000019659113 211243458 /nfs/dbraw/zinc/24/34/58/211243458.db2.gz YINUDLQMVKPWBF-LJQANCHMSA-N 2 1 356.489 3.843 40 10 FHCBMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)c(F)c2)C1 ZINC000019659115 220284198 /nfs/dbraw/zinc/28/41/98/220284198.db2.gz YINUDLQMVKPWBF-IBGZPJMESA-N 2 1 356.489 3.843 40 10 FHCBMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)c(F)c2)C1 ZINC000019659115 220284200 /nfs/dbraw/zinc/28/42/00/220284200.db2.gz YINUDLQMVKPWBF-IBGZPJMESA-N 2 1 356.489 3.843 40 10 FHCBMP