smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]=C(NCCN(C)C1CCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000086100096 799872163 /nfs/dbraw/zinc/87/21/63/799872163.db2.gz JZTDLBOTRNVZPI-ZNXRZULTSA-N 2 3 335.540 2.041 10 30 EEEEHP C[NH+]=C(NCCN(C)C1CCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000086100096 799872172 /nfs/dbraw/zinc/87/21/72/799872172.db2.gz JZTDLBOTRNVZPI-ZNXRZULTSA-N 2 3 335.540 2.041 10 30 EEEEHP