smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@H+]1CCc2c(Cl)c(O)c(O)cc2[C@H](c2ccccc2)C1 ZINC000027181563 202152993 /nfs/dbraw/zinc/15/29/93/202152993.db2.gz OBYRGLTUYUPMBP-INIZCTEOSA-N 1 1 331.843 4.151 1 10 EICFMO CCC[N@H+]1CCc2c(Cl)c(O)c(O)cc2[C@@H](c2ccccc2)C1 ZINC000027181558 202152270 /nfs/dbraw/zinc/15/22/70/202152270.db2.gz OBYRGLTUYUPMBP-MRXNPFEDSA-N 1 1 331.843 4.151 1 10 EICFMO CCCCOc1cc2c3c(c1)-c1c(O)c(O)ccc1C[C@H]3[N@H+](C)CC2 ZINC000040835949 213392039 /nfs/dbraw/zinc/39/20/39/213392039.db2.gz BYGOBYFAXDOLTN-QGZVFWFLSA-N 1 1 339.435 4.029 1 10 EICFMO CCCCOc1cc2c3c(c1)-c1c(O)c(O)ccc1C[C@H]3[N@@H+](C)CC2 ZINC000040835949 213392043 /nfs/dbraw/zinc/39/20/43/213392043.db2.gz BYGOBYFAXDOLTN-QGZVFWFLSA-N 1 1 339.435 4.029 1 10 EICFMO COc1cccc(-c2ccc(O)c(C[N@@H+](C)C3CCCCC3)c2)n1 ZINC000011786184 211247812 /nfs/dbraw/zinc/24/78/12/211247812.db2.gz TVBHQIJOEUTJHG-UHFFFAOYSA-N 1 1 326.440 4.227 1 10 EICFMO