smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(O[C@@H]2CN[C@H](C(=O)N3CCC[N@@H+](C4CCCC4)CC3)C2)cc1 ZINC000072179779 205317233 /nfs/dbraw/zinc/31/72/33/205317233.db2.gz DZMJATAIFBTELK-SFTDATJTSA-N 1 3 382.508 2.144 1 30 GEEFHO N#Cc1ccc(O[C@@H]2CN[C@H](C(=O)N3CCC[N@H+](C4CCCC4)CC3)C2)cc1 ZINC000072179779 205317235 /nfs/dbraw/zinc/31/72/35/205317235.db2.gz DZMJATAIFBTELK-SFTDATJTSA-N 1 3 382.508 2.144 1 30 GEEFHO N#Cc1ccc(O[C@@H]2C[NH2+][C@H](C(=O)N3CCCN(C4CCCC4)CC3)C2)cc1 ZINC000072179779 205317238 /nfs/dbraw/zinc/31/72/38/205317238.db2.gz DZMJATAIFBTELK-SFTDATJTSA-N 1 3 382.508 2.144 1 30 GEEFHO CCN=C(NCC)NN=Cc1ccc(OCc2n(C)c3ccccc3[n+]2C)cc1 ZINC000026828366 207319623 /nfs/dbraw/zinc/31/96/23/207319623.db2.gz PXHVLXRKRUZCST-MFKUBSTISA-N 1 3 393.515 2.491 1 30 GEEFHO CC(C)(C)[NH2+]C[C@@H](O)COC[C@H]1CN=C(Nc2c(Cl)cccc2Cl)N1 ZINC000001542469 212248610 /nfs/dbraw/zinc/24/86/10/212248610.db2.gz XOVQKTDCYQAFMK-VXGBXAGGSA-N 1 3 389.327 2.308 1 30 GEEFHO