smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nc(CN2CCC(n3c4ccccc4nc3CC)CC2)n[nH]1 ZINC000160243795 455441885 /nfs/dbraw/zinc/44/18/85/455441885.db2.gz QRWWABBZCUFFGO-UHFFFAOYSA-N 0 1 338.459 3.116 40 70 EGIBMN Cc1cc(C[C@H](C)NC(=O)Nc2cccc(N(C)C(C)C)c2)n[nH]1 ZINC000160093664 323223093 /nfs/dbraw/zinc/22/30/93/323223093.db2.gz ODVISENFQSWURO-ZDUSSCGKSA-N 0 1 329.448 3.315 40 70 EGIBMN Cc1cc(C[C@@H](C)NC(=O)Nc2cccc(N(C)C(C)C)c2)n[nH]1 ZINC000160093548 323223072 /nfs/dbraw/zinc/22/30/72/323223072.db2.gz ODVISENFQSWURO-CYBMUJFWSA-N 0 1 329.448 3.315 40 70 EGIBMN CN(Cc1nc2ccc(Br)cc2[nH]1)Cc1cccnc1 ZINC000161020404 323223414 /nfs/dbraw/zinc/22/34/14/323223414.db2.gz FFNCHEORFKWGHA-UHFFFAOYSA-N 0 1 331.217 3.352 40 70 EGIBMN