smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCOc1ccc(/C=N/CCCCCC/[NH+]=C\c2ccc(OCCCC)cc2)cc1 ZINC000100178902 557246043 /nfs/dbraw/zinc/24/60/43/557246043.db2.gz YVCZIWWQPNEJPY-UEUMJKGWSA-N 1 3 436.640 7.143 50 30 IKEAHO CCCCOc1ccc(/C=[NH+]/CCCCCC/N=C\c2ccc(OCCCC)cc2)cc1 ZINC000100178902 557246048 /nfs/dbraw/zinc/24/60/48/557246048.db2.gz YVCZIWWQPNEJPY-UEUMJKGWSA-N 1 3 436.640 7.143 50 30 IKEAHO CC1(C)CC(/N=C2\C=CC3=N[C@]45CCCC[C@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)[NH2+]1 ZINC000004763026 557094646 /nfs/dbraw/zinc/09/46/46/557094646.db2.gz VSDVPTFEBFDIBD-DEDZXOFESA-N 1 3 432.656 6.065 50 30 IKEAHO CC1(C)CC(/N=C2\C=CC3=N[C@@]45CCCC[C@@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)[NH2+]1 ZINC000002285876 569263831 /nfs/dbraw/zinc/26/38/31/569263831.db2.gz VSDVPTFEBFDIBD-CLSFCJNSSA-N 1 3 432.656 6.065 50 30 IKEAHO CC1(C)CC(/N=C2\C=CC3=N[C@@]45CCCC[C@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)[NH2+]1 ZINC000004763019 557094624 /nfs/dbraw/zinc/09/46/24/557094624.db2.gz VSDVPTFEBFDIBD-BGPYNXPASA-N 1 3 432.656 6.065 50 30 IKEAHO CC1(C)CC(/N=C2\C=CC3=N[C@]45CCCC[C@@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)[NH2+]1 ZINC000004763016 557094606 /nfs/dbraw/zinc/09/46/06/557094606.db2.gz VSDVPTFEBFDIBD-BDUZFZNUSA-N 1 3 432.656 6.065 50 30 IKEAHO