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]1C[N@@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000218156128 524982945 /nfs/dbraw/zinc/98/29/45/524982945.db2.gz RLQCTMQTXFLQNQ-IYBDPMFKSA-N 2 2 363.889 3.615 50 70 FHIALP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000218156128 524982955 /nfs/dbraw/zinc/98/29/55/524982955.db2.gz RLQCTMQTXFLQNQ-IYBDPMFKSA-N 2 2 363.889 3.615 50 70 FHIALP CC[NH+](CC)Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(-c2ccccc2)o1 ZINC000217043553 568140006 /nfs/dbraw/zinc/14/00/06/568140006.db2.gz JBDCBNOMNOYJSJ-UHFFFAOYSA-N 2 2 366.465 3.784 50 70 FHIALP