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]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164974204 722151288 /nfs/dbraw/zinc/15/12/88/722151288.db2.gz CNNDWILSHIVDOK-HKUYNNGSSA-N 0 3 415.925 2.381 20 50 HEGDHN O=C(CCl)Nc1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164974217 722151240 /nfs/dbraw/zinc/15/12/40/722151240.db2.gz CNNDWILSHIVDOK-PKOBYXMFSA-N 0 3 415.925 2.381 20 50 HEGDHN O=C(CCl)Nc1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974265 722138036 /nfs/dbraw/zinc/13/80/36/722138036.db2.gz CYJLUHSTZQMXJR-PKOBYXMFSA-N 0 3 415.925 2.381 20 50 HEGDHN O=C(CCl)Nc1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879470 721136531 /nfs/dbraw/zinc/13/65/31/721136531.db2.gz SITGJHZBAYODBK-SJORKVTESA-N 0 3 401.898 2.134 20 50 HEGDHN O=C(CCl)Nc1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164879948 721173693 /nfs/dbraw/zinc/17/36/93/721173693.db2.gz VNBJEQWMKSDRSP-QZTJIDSGSA-N 0 3 401.898 2.134 20 50 HEGDHN O=C(CCl)Nc1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974258 722138407 /nfs/dbraw/zinc/13/84/07/722138407.db2.gz CYJLUHSTZQMXJR-HKUYNNGSSA-N 0 3 415.925 2.381 20 50 HEGDHN O=C(CCl)Nc1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974261 722138250 /nfs/dbraw/zinc/13/82/50/722138250.db2.gz CYJLUHSTZQMXJR-IEBWSBKVSA-N 0 3 415.925 2.381 20 50 HEGDHN O=C(CCl)Nc1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879466 721136652 /nfs/dbraw/zinc/13/66/52/721136652.db2.gz SITGJHZBAYODBK-IAGOWNOFSA-N 0 3 401.898 2.134 20 50 HEGDHN O=C(CCl)Nc1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164974207 722151501 /nfs/dbraw/zinc/15/15/01/722151501.db2.gz CNNDWILSHIVDOK-IEBWSBKVSA-N 0 3 415.925 2.381 20 50 HEGDHN O=C(CCl)Nc1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164879953 721172789 /nfs/dbraw/zinc/17/27/89/721172789.db2.gz VNBJEQWMKSDRSP-ZWKOTPCHSA-N 0 3 401.898 2.134 20 50 HEGDHN O=C(CCl)Nc1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164879946 721173637 /nfs/dbraw/zinc/17/36/37/721173637.db2.gz VNBJEQWMKSDRSP-MSOLQXFVSA-N 0 3 401.898 2.134 20 50 HEGDHN O=C(CCl)Nc1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879464 721136280 /nfs/dbraw/zinc/13/62/80/721136280.db2.gz SITGJHZBAYODBK-DLBZAZTESA-N 0 3 401.898 2.134 20 50 HEGDHN O=C(CCl)Nc1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974263 722138284 /nfs/dbraw/zinc/13/82/84/722138284.db2.gz CYJLUHSTZQMXJR-MJGOQNOKSA-N 0 3 415.925 2.381 20 50 HEGDHN O=C(CCl)Nc1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164879951 721173922 /nfs/dbraw/zinc/17/39/22/721173922.db2.gz VNBJEQWMKSDRSP-ROUUACIJSA-N 0 3 401.898 2.134 20 50 HEGDHN O=C(CCl)Nc1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879468 721137097 /nfs/dbraw/zinc/13/70/97/721137097.db2.gz SITGJHZBAYODBK-IRXDYDNUSA-N 0 3 401.898 2.134 20 50 HEGDHN O=C(CCl)Nc1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164974211 722150856 /nfs/dbraw/zinc/15/08/56/722150856.db2.gz CNNDWILSHIVDOK-MJGOQNOKSA-N 0 3 415.925 2.381 20 50 HEGDHN