smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=N\[O-])c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl ZINC000013560328 562975369 /nfs/dbraw/zinc/97/53/69/562975369.db2.gz LPTIMJISNYKXKZ-SSDVNMTOSA-N -2 1 482.971 4.566 1 30 JJEFML CC[C@H](c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1)c1c([O-])c2c(oc1=O)CCCCC2 ZINC000027410019 563043502 /nfs/dbraw/zinc/04/35/02/563043502.db2.gz MZBJXKMJVLOTIB-OAQYLSRUSA-N -2 1 478.570 4.829 1 30 JJEFML COc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O ZINC000008686588 562952895 /nfs/dbraw/zinc/95/28/95/562952895.db2.gz DFJCBKXYTLAXDM-WGOQTCKBSA-N -2 1 476.558 4.755 1 30 JJEFML CC[C@@H](c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1)c1c([O-])c2c(oc1=O)CCCCC2 ZINC000027410015 563043505 /nfs/dbraw/zinc/04/35/05/563043505.db2.gz MZBJXKMJVLOTIB-NRFANRHFSA-N -2 1 478.570 4.829 1 30 JJEFML