smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000217382178 569879939 /nfs/dbraw/zinc/87/99/39/569879939.db2.gz OHFLJCKMHMASJF-GPSJFFNLSA-N 1 3 480.612 4.193 40 70 JIIBHO COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000217382178 569879940 /nfs/dbraw/zinc/87/99/40/569879940.db2.gz OHFLJCKMHMASJF-GPSJFFNLSA-N 1 3 480.612 4.193 40 70 JIIBHO COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000217382251 569879898 /nfs/dbraw/zinc/87/98/98/569879898.db2.gz OHFLJCKMHMASJF-XPXNCJDLSA-N 1 3 480.612 4.193 40 70 JIIBHO COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000217382251 569879899 /nfs/dbraw/zinc/87/98/99/569879899.db2.gz OHFLJCKMHMASJF-XPXNCJDLSA-N 1 3 480.612 4.193 40 70 JIIBHO