smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(O)c(C[N@H+](CCCn2cc[nH+]c2)C[C@@H]2CC=CCC2)c1 ZINC000036740229 202331208 /nfs/dbraw/zinc/33/12/08/202331208.db2.gz NTOKJWFWFNELKB-LJQANCHMSA-N 2 2 339.483 4.146 40 10 EICBLP Cc1ccc(O)c(C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]2CC=CCC2)c1 ZINC000036740229 202331210 /nfs/dbraw/zinc/33/12/10/202331210.db2.gz NTOKJWFWFNELKB-LJQANCHMSA-N 2 2 339.483 4.146 40 10 EICBLP Cc1ccc(O)c(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2C)c1 ZINC000036740163 213115029 /nfs/dbraw/zinc/11/50/29/213115029.db2.gz KWVAHXQYCJVZAF-UHFFFAOYSA-N 2 2 349.478 4.298 40 10 EICBLP Cc1ccc(O)c(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2C)c1 ZINC000036740163 213115027 /nfs/dbraw/zinc/11/50/27/213115027.db2.gz KWVAHXQYCJVZAF-UHFFFAOYSA-N 2 2 349.478 4.298 40 10 EICBLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2O)s1 ZINC000043277866 563925652 /nfs/dbraw/zinc/92/56/52/563925652.db2.gz JZUHOEVAXUHDMJ-UHFFFAOYSA-N 2 2 341.480 4.051 40 10 EICBLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2O)s1 ZINC000043277866 563925653 /nfs/dbraw/zinc/92/56/53/563925653.db2.gz JZUHOEVAXUHDMJ-UHFFFAOYSA-N 2 2 341.480 4.051 40 10 EICBLP Cc1ccc(O)c(C[N@H+](CCCn2cc[nH+]c2)C[C@H]2CC=CCC2)c1 ZINC000036740228 213114149 /nfs/dbraw/zinc/11/41/49/213114149.db2.gz NTOKJWFWFNELKB-IBGZPJMESA-N 2 2 339.483 4.146 40 10 EICBLP Cc1ccc(O)c(C[N@@H+](CCCn2cc[nH+]c2)C[C@H]2CC=CCC2)c1 ZINC000036740228 213114152 /nfs/dbraw/zinc/11/41/52/213114152.db2.gz NTOKJWFWFNELKB-IBGZPJMESA-N 2 2 339.483 4.146 40 10 EICBLP