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)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)C[NH+]1CCC(c3ccccc3)CC1)C2 ZINC000217806605 517913705 /nfs/dbraw/zinc/91/37/05/517913705.db2.gz MALIEUMQZFMRRU-XVAYZXCPSA-N 2 0 355.526 2.665 50 70 FFIARP CN(CC1([NH+]2CCCCC2)CCCCC1)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000218740183 509280390 /nfs/dbraw/zinc/28/03/90/509280390.db2.gz RVHJWYKPXONQEN-UHFFFAOYSA-N 2 0 372.561 2.889 50 70 FFIARP CC[NH+]1CCN(Cc2cc(C)cc(C[N@H+]3C[C@H]4CC[C@@H](C3)[C@H]4O)c2C)CC1 ZINC000217188646 509268104 /nfs/dbraw/zinc/26/81/04/509268104.db2.gz XJOYGTFWOOHVBD-NPHXMPSESA-N 2 0 371.569 2.644 50 70 FFIARP