smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(CCCl)cc2)n1 ZINC000822623231 946140571 /nfs/dbraw/zinc/14/05/71/946140571.db2.gz SKIJTTORFOWSDL-UHFFFAOYSA-N -2 1 367.822 1.182 20 50 FDGDML O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000823272955 946369376 /nfs/dbraw/zinc/36/93/76/946369376.db2.gz AOTATFKGURLMIK-UHFFFAOYSA-N -2 1 359.327 1.306 20 50 FDGDML O=C([O-])C=Cc1cc(C(=O)N[N-]C(=O)c2cc(-c3ccccc3)[nH]n2)co1 ZINC001594969432 955090955 /nfs/dbraw/zinc/09/09/55/955090955.db2.gz YMMAADYOUQSUAW-VOTSOKGWSA-N -2 1 366.333 1.842 20 50 FDGDML Cn1cc(S(=O)(=O)[N-]NC(=O)c2cc3ccccc3o2)cc1C(=O)[O-] ZINC000749866894 978690531 /nfs/dbraw/zinc/69/05/31/978690531.db2.gz GWASLKOYOXVWNM-UHFFFAOYSA-N -2 1 363.351 1.093 20 50 FDGDML COc1cc(C)[n-]c(=NNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)n1 ZINC000846131410 979412258 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