smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCl)Nc1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc1 ZINC001164730635 720467595 /nfs/dbraw/zinc/46/75/95/720467595.db2.gz UQPVJDQVDACWHE-SJORKVTESA-N 0 3 371.872 2.507 20 50 FFGDHN O=C(CCl)Nc1cccnc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164735900 720430071 /nfs/dbraw/zinc/43/00/71/720430071.db2.gz ZDSJWEZGZSSNPR-IAGOWNOFSA-N 0 3 371.872 2.507 20 50 FFGDHN O=C(CCl)Nc1cccnc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164735899 720430142 /nfs/dbraw/zinc/43/01/42/720430142.db2.gz ZDSJWEZGZSSNPR-DLBZAZTESA-N 0 3 371.872 2.507 20 50 FFGDHN O=C(CCl)Nc1cccnc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164735902 720429749 /nfs/dbraw/zinc/42/97/49/720429749.db2.gz ZDSJWEZGZSSNPR-SJORKVTESA-N 0 3 371.872 2.507 20 50 FFGDHN O=C(CCl)Nc1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC001164730630 720468830 /nfs/dbraw/zinc/46/88/30/720468830.db2.gz UQPVJDQVDACWHE-IAGOWNOFSA-N 0 3 371.872 2.507 20 50 FFGDHN O=C(CCl)Nc1ccc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC001164730627 720468483 /nfs/dbraw/zinc/46/84/83/720468483.db2.gz UQPVJDQVDACWHE-DLBZAZTESA-N 0 3 371.872 2.507 20 50 FFGDHN O=C(CCl)Nc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc1 ZINC001164730633 720468427 /nfs/dbraw/zinc/46/84/27/720468427.db2.gz UQPVJDQVDACWHE-IRXDYDNUSA-N 0 3 371.872 2.507 20 50 FFGDHN O=C(CCl)Nc1cccnc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164735901 720429370 /nfs/dbraw/zinc/42/93/70/720429370.db2.gz ZDSJWEZGZSSNPR-IRXDYDNUSA-N 0 3 371.872 2.507 20 50 FFGDHN