smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc(NC(=O)CCl)cn3)C2)C1 ZINC001164781657 721371748 /nfs/dbraw/zinc/37/17/48/721371748.db2.gz KKQGZHNREJFIBV-QFIPXVFZSA-N 0 1 447.967 2.983 20 50 IFGDMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc(NC(=O)CCl)cn3)C2)C1 ZINC001164781655 721372486 /nfs/dbraw/zinc/37/24/86/721372486.db2.gz KKQGZHNREJFIBV-JOCHJYFZSA-N 0 1 447.967 2.983 20 50 IFGDMN O=C(CCl)Nc1cccnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961679 722059149 /nfs/dbraw/zinc/05/91/49/722059149.db2.gz NZBCRGZNWBISOG-UHFFFAOYSA-N 0 1 429.952 2.773 20 50 IFGDMN