smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1csc([C@H](C#N)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000177746541 1032503587 /nfs/dbraw/zinc/50/35/87/1032503587.db2.gz GWIUOFQHQWIZLK-GFCCVEGCSA-N 0 2 349.799 4.318 20 30 EIEDLN CC1(C)Cc2cccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)c2O1 ZINC000654968801 1019065685 /nfs/dbraw/zinc/06/56/85/1019065685.db2.gz LWZAEYDIXGVXIR-AWEZNQCLSA-N 0 2 348.427 4.500 20 30 EIEDLN Cc1csc([C@@H](C#N)C(=O)CCCOc2ccc(C)c(C)c2)n1 ZINC000177588093 1021424429 /nfs/dbraw/zinc/42/44/29/1021424429.db2.gz JUEZQPYNKZOYJC-INIZCTEOSA-N 0 2 328.437 4.104 20 30 EIEDLN N#Cc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1Cl ZINC000123740857 1021440498 /nfs/dbraw/zinc/44/04/98/1021440498.db2.gz WWMMZZGODIQZGV-GFCCVEGCSA-N 0 2 349.699 4.116 20 30 EIEDLN CC[C@H](C)Oc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc1 ZINC000175122855 1022251533 /nfs/dbraw/zinc/25/15/33/1022251533.db2.gz 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CCC(CC)n1nc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1C ZINC000345662123 1035280288 /nfs/dbraw/zinc/28/02/88/1035280288.db2.gz LYCOIIUDAUWBQU-OAHLLOKOSA-N 0 2 349.438 4.227 20 30 EIEDLN Cc1cccc2[nH]c([C@H](C#N)C(=O)[C@@H](C)OC3CCCCCC3)nc21 ZINC000761193562 1036002843 /nfs/dbraw/zinc/00/28/43/1036002843.db2.gz HMBHDJUSQMKLMC-GDBMZVCRSA-N 0 2 339.439 4.176 20 30 EIEDLN Cc1cccc2nc(C(C#N)C(=O)[C@@H](C)OC3CCCCCC3)[nH]c21 ZINC000761193562 1036002864 /nfs/dbraw/zinc/00/28/64/1036002864.db2.gz HMBHDJUSQMKLMC-GDBMZVCRSA-N 0 2 339.439 4.176 20 30 EIEDLN COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H](C)SC)n2)cc1 ZINC000156638258 1036092739 /nfs/dbraw/zinc/09/27/39/1036092739.db2.gz VQESQUJCAXJHEL-FZMZJTMJSA-N 0 2 346.477 4.137 20 30 EIEDLN CCn1nc(C(C)C)cc1C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 ZINC000080454242 1036418617 /nfs/dbraw/zinc/41/86/17/1036418617.db2.gz DONRSJKYGFZRMG-GFCCVEGCSA-N 0 2 330.457 4.096 20 30 EIEDLN COc1ccc(Cl)cc1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000046442474 1038207793 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