smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1ccc(NC(=O)CNC(=O)c2cccnc2)n1 ZINC000159446385 290724665 /nfs/dbraw/zinc/72/46/65/290724665.db2.gz MABAICSNOIIQAI-UHFFFAOYSA-N 0 0 259.269 0.184 20 70 CCIDRN C[C@H](C(=O)NC[C@@H]1CCCS1(=O)=O)C1CCOCC1 ZINC000159814051 290727205 /nfs/dbraw/zinc/72/72/05/290727205.db2.gz PLQBNNWOXARVDE-JQWIXIFHSA-N 0 0 289.397 0.743 20 70 CCIDRN CNS(=O)(=O)c1cccc2c1ccnc2C(=O)OC ZINC000159986530 290727507 /nfs/dbraw/zinc/72/75/07/290727507.db2.gz PFZSJSKVLPQSAQ-UHFFFAOYSA-N 0 0 280.305 0.930 20 70 CCIDRN CC(=O)c1cc(C(=O)N(CC(N)=O)CC(C)C)n(C)c1 ZINC000159741208 290726601 /nfs/dbraw/zinc/72/66/01/290726601.db2.gz ALAKURSFLYNJJY-UHFFFAOYSA-N 0 0 279.340 0.811 20 70 CCIDRN C[C@@H](CC(=O)NC1(CO)CC1)NC(=O)c1ccccc1 ZINC000160548050 290730761 /nfs/dbraw/zinc/73/07/61/290730761.db2.gz BHCZYAYJWFJDRJ-NSHDSACASA-N 0 0 276.336 0.836 20 70 CCIDRN 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O=C(NC1(CO)CC1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000160443047 544700127 /nfs/dbraw/zinc/70/01/27/544700127.db2.gz PAKXOXJDHQILQG-JTQLQIEISA-N 0 0 292.310 0.820 20 70 CCIDRN NC(=O)[C@@H]1CC[C@H](CNC(=O)NCC2(C3CC3)CCC2)O1 ZINC000160341277 544700688 /nfs/dbraw/zinc/70/06/88/544700688.db2.gz DQXXBTPDRYRHMF-NEPJUHHUSA-N 0 0 295.383 0.899 20 70 CCIDRN CS(=O)(=O)CCCCN1CCN(c2ncccn2)CC1 ZINC000161091958 544704064 /nfs/dbraw/zinc/70/40/64/544704064.db2.gz KTMDAYSMOGNLIG-UHFFFAOYSA-N 0 0 298.412 0.423 20 70 CCIDRN CS(=O)(=O)CCCCN1CCC[C@@H]1C(=O)NC1CC1 ZINC000161375577 544705148 /nfs/dbraw/zinc/70/51/48/544705148.db2.gz RKSCIQPVTPDFMD-GFCCVEGCSA-N 0 0 288.413 0.554 20 70 CCIDRN CCNC(=O)CN(CC)CCCCS(C)(=O)=O ZINC000161351408 544705587 /nfs/dbraw/zinc/70/55/87/544705587.db2.gz FCMLECLIGGXKEV-UHFFFAOYSA-N 0 0 264.391 0.269 20 70 CCIDRN CNC(=O)[C@@H]1CCCCN1CCCCS(C)(=O)=O ZINC000161426034 544705732 /nfs/dbraw/zinc/70/57/32/544705732.db2.gz RNGOFSHQDZGOFB-NSHDSACASA-N 0 0 276.402 0.412 20 70 CCIDRN 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