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@@H](C)N1C(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C(=O)[N-]C1=S ZINC000009282278 562968841 /nfs/dbraw/zinc/96/88/41/562968841.db2.gz AXNLSIOWOICWST-XZZQCUQZSA-N -1 1 434.482 -1.187 50 10 IACAMM CC[C@H](C)N1C(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C(=O)[N-]C1=S ZINC000009282279 562968814 /nfs/dbraw/zinc/96/88/14/562968814.db2.gz AXNLSIOWOICWST-FZGDARCMSA-N -1 1 434.482 -1.187 50 10 IACAMM