smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCCNc1[nH+]ccc2c(C)c3[nH]c4ncccc4c3cc21 ZINC000013673996 220083566 /nfs/dbraw/zinc/08/35/66/220083566.db2.gz QGAMUVOPYWEQSU-UHFFFAOYSA-N 2 2 361.493 4.717 1 5 FJBFLP CC[NH+](CC)CCSc1c2cc(OC)ccc2[nH+]c2ccc(OC)cc21 ZINC000005582577 207108017 /nfs/dbraw/zinc/10/80/17/207108017.db2.gz FTXHPXJPAANONC-UHFFFAOYSA-N 2 2 370.518 4.839 1 5 FJBFLP Cn1c2ccccc2c2c1c1cc(Cl)ccc1[nH+]c2NCC(C)(C)C[NH3+] ZINC000169309482 222559834 /nfs/dbraw/zinc/55/98/34/222559834.db2.gz LTRNWPBHCNDARR-UHFFFAOYSA-N 2 2 366.896 4.930 1 5 FJBFLP