smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(CCN1CCCc2[nH+]c(C)c(C)cc21)=N\OC[C@@H](O)COCc1ccco1 ZINC000007998365 533417761 /nfs/dbraw/zinc/41/77/61/533417761.db2.gz XXLAVZXJAXLCOS-QUESDIRFSA-N 1 1 401.507 3.404 1 30 HGEFMO N#Cc1ccc(Cn2cncc2C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000003934618 581101011 /nfs/dbraw/zinc/10/10/11/581101011.db2.gz DLASOUKHRBZNDA-FQEVSTJZSA-N 1 1 405.889 3.352 1 30 HGEFMO CCCN(Cc1ccc(F)cc1)C(=O)c1cc(C)cc(OCCCO[NH+]=C(N)N)c1 ZINC000027201525 581093996 /nfs/dbraw/zinc/09/39/96/581093996.db2.gz SLAOETICSPJUSH-UHFFFAOYSA-N 1 1 416.497 3.160 1 30 HGEFMO CCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCC2(CO[NH+]=C(N)N)CC2)c1 ZINC000027193105 581093998 /nfs/dbraw/zinc/09/39/98/581093998.db2.gz RNECCXZBIIYSBX-UHFFFAOYSA-N 1 1 414.506 3.004 1 30 HGEFMO