smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CCCC1 ZINC000161223889 432766167 /nfs/dbraw/zinc/76/61/67/432766167.db2.gz OHNIVEGSVJRVPV-INIZCTEOSA-N 1 3 316.489 3.312 50 70 DGIAHO CC(C)[NH+]1CCC(CN2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000217679757 432656605 /nfs/dbraw/zinc/65/66/05/432656605.db2.gz XNISGSDFTCOCND-HXUWFJFHSA-N 1 3 315.505 3.096 50 70 DGIAHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CCCC1 ZINC000161224013 432766295 /nfs/dbraw/zinc/76/62/95/432766295.db2.gz OHNIVEGSVJRVPV-MRXNPFEDSA-N 1 3 316.489 3.312 50 70 DGIAHO