smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1c(C[NH+]2CCCC2)cc(Nc2ccc(Cl)nn2)cc1C[NH+]1CCCC1 ZINC000027891043 207332162 /nfs/dbraw/zinc/33/21/62/207332162.db2.gz OQVALWLZDOTJGD-UHFFFAOYSA-N 2 0 387.915 3.771 1 10 GHCFRP C[NH+](C)CCNC(=O)c1cccc2c(N)c3cc(-c4ccccc4)ccc3[nH+]c12 ZINC000027717454 207329743 /nfs/dbraw/zinc/32/97/43/207329743.db2.gz BLYHOQOTJXIEFT-UHFFFAOYSA-N 2 0 384.483 3.929 1 10 GHCFRP [NH3+]CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000096903214 211351060 /nfs/dbraw/zinc/35/10/60/211351060.db2.gz FKUVKSPJYZPZMG-UHFFFAOYSA-N 2 0 392.484 3.832 1 10 GHCFRP