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+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccco1 ZINC000160216960 372226826 /nfs/dbraw/zinc/22/68/26/372226826.db2.gz XEXDJDPGNYJVSM-VYDXJSESSA-N 0 2 299.418 3.236 10 70 CGIELN C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccco1 ZINC000160217091 372226210 /nfs/dbraw/zinc/22/62/10/372226210.db2.gz XEXDJDPGNYJVSM-ZOBUZTSGSA-N 0 2 299.418 3.236 10 70 CGIELN