smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@]3(CO)COC[C@@H]4CCC[N@@H+]43)cc2F)CC1 ZINC001468643861 1069146353 /nfs/dbraw/zinc/14/63/53/1069146353.db2.gz VDLUYDPMSISYEZ-WMZHIEFXSA-N 2 0 449.571 0.993 20 10 ICCDRP COc1ccc(N2CC[NH+](CCCNC(=O)N3CN(CC[NH+](C)C)C(=O)[C@@H]3C)CC2)cc1 ZINC001477454565 1069926526 /nfs/dbraw/zinc/92/65/26/1069926526.db2.gz SHCSUOMCYAENMR-IBGZPJMESA-N 2 0 446.596 0.969 20 10 ICCDRP COc1ccc(N2CC[NH+](CCCNC(=O)N3CN(CC[NH+](C)C)C(=O)[C@H]3C)CC2)cc1 ZINC001477454567 1069926661 /nfs/dbraw/zinc/92/66/61/1069926661.db2.gz SHCSUOMCYAENMR-LJQANCHMSA-N 2 0 446.596 0.969 20 10 ICCDRP