smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CC[C@](C)(C[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)C1 ZINC000823754935 1320203489 /nfs/dbraw/zinc/20/34/89/1320203489.db2.gz GGMWVZRXAWKXSF-OAQYLSRUSA-N 2 0 327.516 3.076 50 10 EGCARP COc1ccc(C[NH2+]Cc2cccc(CO)c2)cc1C[NH+]1CCCC1 ZINC000952962859 1334625623 /nfs/dbraw/zinc/62/56/23/1334625623.db2.gz INXUJMMVGGGIKI-UHFFFAOYSA-N 2 0 340.467 3.073 50 10 EGCARP C[N@@H+]1CC[C@@](C)(C[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)C1 ZINC000823754934 1320203754 /nfs/dbraw/zinc/20/37/54/1320203754.db2.gz GGMWVZRXAWKXSF-NRFANRHFSA-N 2 0 327.516 3.076 50 10 EGCARP