smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(C)c1ccc(Nc2c3ccccc3nc3ccccc32)cc1 ZINC000026577237 202145343 /nfs/dbraw/zinc/14/53/43/202145343.db2.gz KYSDIJGKWAITKX-UHFFFAOYSA-N 0 3 327.431 5.588 1 10 EKCFHN CC(=O)N(C)c1ccc(Nc2c3ccccc3nc3ccccc32)cc1 ZINC000026841799 202148820 /nfs/dbraw/zinc/14/88/20/202148820.db2.gz VDTFLYLRSNPLFG-UHFFFAOYSA-N 0 3 341.414 5.114 1 10 EKCFHN COc1cc(N)ccc1Nc1c2ccccc2nc2c(C)cccc21 ZINC000026939905 202150449 /nfs/dbraw/zinc/15/04/49/202150449.db2.gz OVIABDZPGHSRTO-UHFFFAOYSA-N 0 3 329.403 5.031 1 10 EKCFHN Cc1c(CN2CCSCC2)cc(-c2ccccc2)n1-c1ccccc1 ZINC000033494522 202263232 /nfs/dbraw/zinc/26/32/32/202263232.db2.gz CPCSLELLXSVSMK-UHFFFAOYSA-N 0 3 348.515 5.002 1 10 EKCFHN CCCCCC=CCC=CCC=CCC=CCCCC([O-])=C[N+]#N ZINC000038141009 213202785 /nfs/dbraw/zinc/20/27/85/213202785.db2.gz ZVZBWWAGIFGRBU-MLFLMRJSSA-N 0 3 328.500 6.002 1 10 EKCFHN COc1ccc2nc3cc(Cl)ccc3c(Nc3ccncc3)c2c1 ZINC000072107219 203162738 /nfs/dbraw/zinc/16/27/38/203162738.db2.gz YAUSMHMYJYRQTL-UHFFFAOYSA-N 0 3 335.794 5.189 1 10 EKCFHN COc1ccc(NN=C2C=C(C)C(=O)C(CN3CCCCC3)=C2)cc1 ZINC000102595099 219213371 /nfs/dbraw/zinc/21/33/71/219213371.db2.gz ZKVYNTLHODDHIF-DQRAZIAOSA-N 0 3 339.439 5.111 1 10 EKCFHN CC1=CC(=NNc2ccc(Cl)cc2)C=C(CN2CCCC2)C1=O ZINC000102675419 219221447 /nfs/dbraw/zinc/22/14/47/219221447.db2.gz JFQASHVZFSYYCB-MRCUWXFGSA-N 0 3 329.831 5.365 1 10 EKCFHN