smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1noc([C@H](C)[N@H+]2C[C@@H]3CCN(C(=O)c4cnc[nH]c4=O)[C@@H]3C2)n1 ZINC001075926613 837508924 /nfs/dbraw/zinc/50/89/24/837508924.db2.gz VUVHTRMBRMUXSI-GMXVVIOVSA-N -1 2 358.402 1.035 20 0 FDADLM Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C)c1[O-] ZINC000987609361 833478359 /nfs/dbraw/zinc/47/83/59/833478359.db2.gz XSAWHOKKFFCUNU-FWWHASMVSA-N -1 2 352.288 1.043 20 0 FDADLM O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000913892754 869933637 /nfs/dbraw/zinc/93/36/37/869933637.db2.gz ZZLIXAJXWPEECT-HZPDHXFCSA-N -1 2 370.457 1.674 20 0 FDADLM Cc1cc(=O)[nH]c(Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)n1 ZINC000761867313 874756282 /nfs/dbraw/zinc/75/62/82/874756282.db2.gz XDZVIDRSNVMMQM-OAHLLOKOSA-N -1 2 367.413 1.099 20 0 FDADLM C[C@@H](NS(=O)(=O)c1cnccc1C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000919989075 886509529 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COC(=O)c1cc(NS(=O)(=O)c2cnn(C)c2C)cc(C(=O)[O-])c1 ZINC001598950198 998135775 /nfs/dbraw/zinc/13/57/75/998135775.db2.gz NZIAJOMNCGGDIR-UHFFFAOYSA-N -1 2 353.356 1.014 20 0 FDADLM CCNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000530718399 540028832 /nfs/dbraw/zinc/02/88/32/540028832.db2.gz DFTYCINUQVUFKN-UHFFFAOYSA-N -1 2 364.379 1.641 20 0 FDADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(C(=O)CCC(=O)[O-])c1 ZINC000274714609 181152676 /nfs/dbraw/zinc/15/26/76/181152676.db2.gz BRWJHLJVKDDFGU-UHFFFAOYSA-N -1 2 365.411 1.885 20 0 FDADLM O=C([O-])c1cccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)c1O ZINC000274896148 181188346 /nfs/dbraw/zinc/18/83/46/181188346.db2.gz HBVYFAIJMOZVBQ-UHFFFAOYSA-N -1 2 367.383 1.439 20 0 FDADLM CC[C@H](NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)C(=O)[O-] ZINC000274926000 181196659 /nfs/dbraw/zinc/19/66/59/181196659.db2.gz NVDJEUGWUVMSRJ-ZETCQYMHSA-N -1 2 370.761 1.718 20 0 FDADLM CCOC(=O)CCS(=O)(=O)N(CCC(=O)[O-])Cc1cccc(C)c1 ZINC000275133494 181247346 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