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)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001475006871 1069333114 /nfs/dbraw/zinc/33/31/14/1069333114.db2.gz MVSRAFJSTWHMKB-IBGZPJMESA-N 0 0 457.568 1.927 20 10 JDCDRN CCCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)CC1=O ZINC001501021663 1069359617 /nfs/dbraw/zinc/35/96/17/1069359617.db2.gz KXZMFWFAIPKVGU-SFHVURJKSA-N 0 0 457.554 1.931 20 10 JDCDRN CCCNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001501164641 1069424396 /nfs/dbraw/zinc/42/43/96/1069424396.db2.gz JYUUOTUYZYYHJK-FQEVSTJZSA-N 0 0 469.590 1.619 20 10 JDCDRN COc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1S(=O)(=O)N1CCOCC1 ZINC001475854076 1069564842 /nfs/dbraw/zinc/56/48/42/1069564842.db2.gz SXSOJKRPKXBQEM-UHFFFAOYSA-N 0 0 451.501 1.492 20 10 JDCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc1F ZINC001476134508 1069611653 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