smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2[nH+]c3cc(Cl)ccc3c(N[C@@H](C)CCC[NH+](C)C)c2n1 ZINC000001690210 210365030 /nfs/dbraw/zinc/36/50/30/210365030.db2.gz YURMGNZPEHYOAL-ZDUSSCGKSA-N 2 1 372.900 4.587 40 5 FJBBMP COc1ccc2[nH+]c3cc(Cl)ccc3c(N[C@H](C)CCC[NH+](C)C)c2n1 ZINC000031937713 208019601 /nfs/dbraw/zinc/01/96/01/208019601.db2.gz YURMGNZPEHYOAL-CYBMUJFWSA-N 2 1 372.900 4.587 40 5 FJBBMP Cc1c2[nH]c3ccc(O)cc3c2c(C)c2c[n+](CC[NH+]3CCCCC3)ccc12 ZINC000001570312 560182404 /nfs/dbraw/zinc/18/24/04/560182404.db2.gz FYCLDNIGWUYSFQ-UHFFFAOYSA-O 2 1 374.508 4.570 40 5 in-vitro FJBBMP