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)c1nc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc[nH+]1 ZINC000160791365 408524207 /nfs/dbraw/zinc/52/42/07/408524207.db2.gz SDTZAVUAJMDZRZ-AWEZNQCLSA-N 2 2 317.437 1.519 20 70 DDIDLP CC(C)c1nc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc[nH+]1 ZINC000160791365 408524212 /nfs/dbraw/zinc/52/42/12/408524212.db2.gz SDTZAVUAJMDZRZ-AWEZNQCLSA-N 2 2 317.437 1.519 20 70 DDIDLP C[C@H]1CCCN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000161304152 539221257 /nfs/dbraw/zinc/22/12/57/539221257.db2.gz MWTGDUWMWGYRRH-HNNXBMFYSA-N 2 2 302.422 1.462 20 70 DDIDLP C[C@@H](C(=O)NCC(C)(C)[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160070332 197383321 /nfs/dbraw/zinc/38/33/21/197383321.db2.gz DGJSWHRNFMJCMW-ZDUSSCGKSA-N 2 2 322.428 1.190 20 70 DDIDLP CCc1nnc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)[nH]1 ZINC000160715777 484067156 /nfs/dbraw/zinc/06/71/56/484067156.db2.gz BSLOGUMXCLGDKC-UHFFFAOYSA-N 2 2 321.469 1.692 20 70 DDIDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160599028 408502931 /nfs/dbraw/zinc/50/29/31/408502931.db2.gz HMVNDJZMFFKULT-APWZRJJASA-N 3 2 317.477 1.949 20 70 DDIDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160599028 408502936 /nfs/dbraw/zinc/50/29/36/408502936.db2.gz HMVNDJZMFFKULT-APWZRJJASA-N 3 2 317.477 1.949 20 70 DDIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1ccccc1 ZINC000161288789 539221212 /nfs/dbraw/zinc/22/12/12/539221212.db2.gz ZIQBHOLDDZYLMW-UHFFFAOYSA-N 2 2 310.401 1.520 20 70 DDIDLP CN(C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000161287143 539221237 /nfs/dbraw/zinc/22/12/37/539221237.db2.gz OBAYFYMRGLYAHJ-UHFFFAOYSA-N 2 2 310.401 1.867 20 70 DDIDLP C[C@H](C(=O)NCC(C)(C)[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160070454 197383842 /nfs/dbraw/zinc/38/38/42/197383842.db2.gz DGJSWHRNFMJCMW-CYBMUJFWSA-N 2 2 322.428 1.190 20 70 DDIDLP CC[N@@H+]1CCCN(C(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000159903315 408443401 /nfs/dbraw/zinc/44/34/01/408443401.db2.gz RORKNFTUKMZREG-UHFFFAOYSA-N 2 2 307.442 1.776 20 70 DDIDLP CC[N@H+]1CCCN(C(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000159903315 408443410 /nfs/dbraw/zinc/44/34/10/408443410.db2.gz RORKNFTUKMZREG-UHFFFAOYSA-N 2 2 307.442 1.776 20 70 DDIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC1CCCCC1 ZINC000161289539 539221198 /nfs/dbraw/zinc/22/11/98/539221198.db2.gz ORZZFRIWGWOOJO-UHFFFAOYSA-N 2 2 316.449 1.900 20 70 DDIDLP Cc1[nH+]ccn1CCCN(C)C(=O)NCCCn1cc[nH+]c1 ZINC000160900334 408537000 /nfs/dbraw/zinc/53/70/00/408537000.db2.gz SNAXDYHQOABQRP-UHFFFAOYSA-N 2 2 304.398 1.510 20 70 DDIDLP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[NH2+]CC1 ZINC000159418667 197352751 /nfs/dbraw/zinc/35/27/51/197352751.db2.gz CWRXIBMPFZTLSF-OAHLLOKOSA-N 2 2 305.447 1.208 20 70 DDIDLP C[C@@H]1C[N@@H+](CC2CC[NH+](CCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000159794371 408436388 /nfs/dbraw/zinc/43/63/88/408436388.db2.gz QWTRYYQPOTUURT-IYBDPMFKSA-N 3 2 306.454 1.704 20 70 DDIDLP C[C@@H]1C[N@H+](CC2CC[NH+](CCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000159794371 408436391 /nfs/dbraw/zinc/43/63/91/408436391.db2.gz QWTRYYQPOTUURT-IYBDPMFKSA-N 3 2 306.454 1.704 20 70 DDIDLP CC[NH2+]CC1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000161132992 408564908 /nfs/dbraw/zinc/56/49/08/408564908.db2.gz GDKLSSJJVWSQLJ-UHFFFAOYSA-N 2 2 313.405 1.729 20 70 DDIDLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000161287712 539221254 /nfs/dbraw/zinc/22/12/54/539221254.db2.gz KQQDACXZNXYWMN-IYBDPMFKSA-N 2 2 316.449 1.708 20 70 DDIDLP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161317484 539221281 /nfs/dbraw/zinc/22/12/81/539221281.db2.gz IUPRKPLMODCRLR-WBVHZDCISA-N 2 2 316.449 1.899 20 70 DDIDLP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161071674 408555940 /nfs/dbraw/zinc/55/59/40/408555940.db2.gz GBGPYWLQYYGMJJ-OAHLLOKOSA-N 2 2 304.438 1.684 20 70 DDIDLP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161317731 539221350 /nfs/dbraw/zinc/22/13/50/539221350.db2.gz IUPRKPLMODCRLR-NVXWUHKLSA-N 2 2 316.449 1.899 20 70 DDIDLP CC[C@@H](C(N)=O)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000159991271 197378605 /nfs/dbraw/zinc/37/86/05/197378605.db2.gz TYQZZDQYHACNKG-HNNXBMFYSA-N 2 2 304.438 1.884 20 70 DDIDLP CC[C@@H](C(N)=O)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000159991271 197378607 /nfs/dbraw/zinc/37/86/07/197378607.db2.gz TYQZZDQYHACNKG-HNNXBMFYSA-N 2 2 304.438 1.884 20 70 DDIDLP C[C@@H]1CCO[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000159609326 408418943 /nfs/dbraw/zinc/41/89/43/408418943.db2.gz GMQCPZAJJRLWLH-CZUORRHYSA-N 2 2 309.454 1.086 20 70 DDIDLP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161386918 539221695 /nfs/dbraw/zinc/22/16/95/539221695.db2.gz GRSBBKYFXRJIQF-MRXNPFEDSA-N 2 2 316.449 1.995 20 70 DDIDLP CC[N@@H+]1CCCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000159577542 186128311 /nfs/dbraw/zinc/12/83/11/186128311.db2.gz WMHZEUPBIILXBS-UHFFFAOYSA-N 2 2 315.421 1.614 20 70 DDIDLP CC[N@H+]1CCCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000159577542 186128313 /nfs/dbraw/zinc/12/83/13/186128313.db2.gz WMHZEUPBIILXBS-UHFFFAOYSA-N 2 2 315.421 1.614 20 70 DDIDLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000161497027 296135113 /nfs/dbraw/zinc/13/51/13/296135113.db2.gz BYVILNGZKNZKSU-JKSUJKDBSA-N 2 2 316.449 1.922 20 70 DDIDLP C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H](C[NH3+])C1CC1 ZINC000160045074 197381833 /nfs/dbraw/zinc/38/18/33/197381833.db2.gz XQDCJDOEPSQEFN-ZDUSSCGKSA-N 2 2 306.797 1.517 20 70 DDIDLP C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H](C[NH3+])C1CC1 ZINC000160045074 197381835 /nfs/dbraw/zinc/38/18/35/197381835.db2.gz XQDCJDOEPSQEFN-ZDUSSCGKSA-N 2 2 306.797 1.517 20 70 DDIDLP C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161318353 539221371 /nfs/dbraw/zinc/22/13/71/539221371.db2.gz PFSLYZUVJBWMQV-INIZCTEOSA-N 2 2 324.428 1.909 20 70 DDIDLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160602971 408502503 /nfs/dbraw/zinc/50/25/03/408502503.db2.gz PWUBMTKRRDZWFJ-CALCHBBNSA-N 2 2 310.401 1.898 20 70 DDIDLP CCOC[C@H](O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000217183571 201510774 /nfs/dbraw/zinc/51/07/74/201510774.db2.gz DUHQKLHGQSOSSA-YQQAZPJKSA-N 2 2 314.470 1.205 20 70 DDIDLP CC[NH+](CC)CCNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000159646123 408422714 /nfs/dbraw/zinc/42/27/14/408422714.db2.gz CORHNUXYNJPOEP-OAHLLOKOSA-N 2 2 319.453 1.691 20 70 DDIDLP CC(C)NC(=O)C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160479850 408487673 /nfs/dbraw/zinc/48/76/73/408487673.db2.gz HUWHHNXQXZNXJR-UHFFFAOYSA-N 2 2 310.486 1.005 20 70 DDIDLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)CC[N@@H+]1C ZINC000160927762 408540235 /nfs/dbraw/zinc/54/02/35/408540235.db2.gz KPNKVWDWNBDTDH-CZUORRHYSA-N 2 2 310.463 1.804 20 70 DDIDLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)CC[N@H+]1C ZINC000160927762 408540239 /nfs/dbraw/zinc/54/02/39/408540239.db2.gz KPNKVWDWNBDTDH-CZUORRHYSA-N 2 2 310.463 1.804 20 70 DDIDLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCCn1cc[nH+]c1 ZINC000160003785 539219283 /nfs/dbraw/zinc/21/92/83/539219283.db2.gz OUGJZZUVWCHZFH-UHFFFAOYSA-N 2 2 322.453 1.480 20 70 DDIDLP COc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000160958708 539220828 /nfs/dbraw/zinc/22/08/28/539220828.db2.gz RESLVHKNXLWXQV-ZFWWWQNUSA-N 2 2 305.422 1.384 20 70 DDIDLP COc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000160958708 539220830 /nfs/dbraw/zinc/22/08/30/539220830.db2.gz RESLVHKNXLWXQV-ZFWWWQNUSA-N 2 2 305.422 1.384 20 70 DDIDLP Cc1ccc(C[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000160864649 408532772 /nfs/dbraw/zinc/53/27/72/408532772.db2.gz MWCDCHDEVNMINI-UHFFFAOYSA-N 2 2 315.421 1.762 20 70 DDIDLP Cc1ccc(C[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000160864649 408532777 /nfs/dbraw/zinc/53/27/77/408532777.db2.gz MWCDCHDEVNMINI-UHFFFAOYSA-N 2 2 315.421 1.762 20 70 DDIDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3(C)CCC3)CC2)CC1 ZINC000160333698 523767372 /nfs/dbraw/zinc/76/73/72/523767372.db2.gz WTRARWZGNXESSR-UHFFFAOYSA-N 2 2 308.470 1.787 20 70 DDIDLP Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159379114 408403193 /nfs/dbraw/zinc/40/31/93/408403193.db2.gz OSXVOYFIGKLIEV-KRWDZBQOSA-N 2 2 301.434 1.909 20 70 DDIDLP Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159379114 408403196 /nfs/dbraw/zinc/40/31/96/408403196.db2.gz OSXVOYFIGKLIEV-KRWDZBQOSA-N 2 2 301.434 1.909 20 70 DDIDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160462561 524563342 /nfs/dbraw/zinc/56/33/42/524563342.db2.gz DNBFCPWHVGJODY-LPHOPBHVSA-N 3 2 317.477 1.949 20 70 DDIDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160462561 524563348 /nfs/dbraw/zinc/56/33/48/524563348.db2.gz DNBFCPWHVGJODY-LPHOPBHVSA-N 3 2 317.477 1.949 20 70 DDIDLP CC(C)c1nc(NCC2CC[NH+](CCO)CC2)nc(N(C)C)[nH+]1 ZINC000159421065 408408600 /nfs/dbraw/zinc/40/86/00/408408600.db2.gz IAWFWAGUKFWTIO-UHFFFAOYSA-N 2 2 322.457 1.177 20 70 DDIDLP CC(C)c1nc(N(C)C)nc(NCC2CC[NH+](CCO)CC2)[nH+]1 ZINC000159421065 408408606 /nfs/dbraw/zinc/40/86/06/408408606.db2.gz IAWFWAGUKFWTIO-UHFFFAOYSA-N 2 2 322.457 1.177 20 70 DDIDLP CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000161095781 408559997 /nfs/dbraw/zinc/55/99/97/408559997.db2.gz IVVDURQCFSTUPJ-OAHLLOKOSA-N 2 2 304.438 1.456 20 70 DDIDLP CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000161095781 408560001 /nfs/dbraw/zinc/56/00/01/408560001.db2.gz IVVDURQCFSTUPJ-OAHLLOKOSA-N 2 2 304.438 1.456 20 70 DDIDLP CCC[NH+]1CCC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161071791 408556684 /nfs/dbraw/zinc/55/66/84/408556684.db2.gz GBGPYWLQYYGMJJ-HNNXBMFYSA-N 2 2 304.438 1.684 20 70 DDIDLP C[C@H](C[NH2+]C1CCN(C(N)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000160855962 408531863 /nfs/dbraw/zinc/53/18/63/408531863.db2.gz SXWFGQQGDQGQGC-CQSZACIVSA-N 2 2 304.438 1.640 20 70 DDIDLP C[C@H](C[NH2+]C1CCN(C(N)=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000160855962 408531871 /nfs/dbraw/zinc/53/18/71/408531871.db2.gz SXWFGQQGDQGQGC-CQSZACIVSA-N 2 2 304.438 1.640 20 70 DDIDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000159839583 408437723 /nfs/dbraw/zinc/43/77/23/408437723.db2.gz GEAWTHNTZPUMRW-UHFFFAOYSA-N 2 2 304.438 1.376 20 70 DDIDLP C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161339223 539221486 /nfs/dbraw/zinc/22/14/86/539221486.db2.gz KAMAYBCNYBAXGH-OAHLLOKOSA-N 2 2 302.422 1.605 20 70 DDIDLP CC(C)[N@H+]1C[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000161223466 408577247 /nfs/dbraw/zinc/57/72/47/408577247.db2.gz KSQGZUZRKDSVOV-ZFWWWQNUSA-N 2 2 321.490 1.951 20 70 DDIDLP CC(C)[N@@H+]1C[C@H](NC(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000161223466 408577253 /nfs/dbraw/zinc/57/72/53/408577253.db2.gz KSQGZUZRKDSVOV-ZFWWWQNUSA-N 2 2 321.490 1.951 20 70 DDIDLP CC(C)[NH+]1C[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000161223466 408577259 /nfs/dbraw/zinc/57/72/59/408577259.db2.gz KSQGZUZRKDSVOV-ZFWWWQNUSA-N 2 2 321.490 1.951 20 70 DDIDLP CC(C)[NH+]1C[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000161223466 408577262 /nfs/dbraw/zinc/57/72/62/408577262.db2.gz KSQGZUZRKDSVOV-ZFWWWQNUSA-N 2 2 321.490 1.951 20 70 DDIDLP COc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000160958583 539220866 /nfs/dbraw/zinc/22/08/66/539220866.db2.gz RESLVHKNXLWXQV-HIFRSBDPSA-N 2 2 305.422 1.384 20 70 DDIDLP COc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000160958583 539220867 /nfs/dbraw/zinc/22/08/67/539220867.db2.gz RESLVHKNXLWXQV-HIFRSBDPSA-N 2 2 305.422 1.384 20 70 DDIDLP CC(C)([NH3+])CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000160066711 278628823 /nfs/dbraw/zinc/62/88/23/278628823.db2.gz ROGBVPZTVZSGTI-AWEZNQCLSA-N 2 2 307.463 1.630 20 70 DDIDLP O=c1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)nc2ccccn12 ZINC000161304432 539221209 /nfs/dbraw/zinc/22/12/09/539221209.db2.gz HQPLUXQWNOJYPA-UHFFFAOYSA-N 2 2 321.384 1.412 20 70 DDIDLP Cc1nn(C)cc1C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000159951326 408446492 /nfs/dbraw/zinc/44/64/92/408446492.db2.gz KUJGXZOFIRMNBH-SFHVURJKSA-N 2 2 314.433 1.237 20 70 DDIDLP Cc1nn(C)cc1C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000159951326 408446496 /nfs/dbraw/zinc/44/64/96/408446496.db2.gz KUJGXZOFIRMNBH-SFHVURJKSA-N 2 2 314.433 1.237 20 70 DDIDLP CC(C)([NH3+])CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000160066598 408454868 /nfs/dbraw/zinc/45/48/68/408454868.db2.gz ROGBVPZTVZSGTI-CQSZACIVSA-N 2 2 307.463 1.630 20 70 DDIDLP CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000161023227 408551289 /nfs/dbraw/zinc/55/12/89/408551289.db2.gz AORFDQDMPREGQF-UHFFFAOYSA-N 2 2 321.490 1.954 20 70 DDIDLP CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000161023227 408551292 /nfs/dbraw/zinc/55/12/92/408551292.db2.gz AORFDQDMPREGQF-UHFFFAOYSA-N 2 2 321.490 1.954 20 70 DDIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1=O ZINC000160071007 197383619 /nfs/dbraw/zinc/38/36/19/197383619.db2.gz XNZBDFOUTJYUHZ-OAHLLOKOSA-N 2 2 303.406 1.935 20 70 DDIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1=O ZINC000160071007 197383621 /nfs/dbraw/zinc/38/36/21/197383621.db2.gz XNZBDFOUTJYUHZ-OAHLLOKOSA-N 2 2 303.406 1.935 20 70 DDIDLP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000160080079 408454004 /nfs/dbraw/zinc/45/40/04/408454004.db2.gz VPZNCBHFZSCZIT-GOSISDBHSA-N 2 2 302.466 1.992 20 70 DDIDLP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC000160080079 408454011 /nfs/dbraw/zinc/45/40/11/408454011.db2.gz VPZNCBHFZSCZIT-GOSISDBHSA-N 2 2 302.466 1.992 20 70 DDIDLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000161496652 284504661 /nfs/dbraw/zinc/50/46/61/284504661.db2.gz BYVILNGZKNZKSU-CVEARBPZSA-N 2 2 316.449 1.922 20 70 DDIDLP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000159616993 408423385 /nfs/dbraw/zinc/42/33/85/408423385.db2.gz ZEFWADFTDKHFPZ-INIZCTEOSA-N 2 2 313.511 1.268 20 70 DDIDLP C(C[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1)N1CCOCC1 ZINC000159616993 408423389 /nfs/dbraw/zinc/42/33/89/408423389.db2.gz ZEFWADFTDKHFPZ-INIZCTEOSA-N 2 2 313.511 1.268 20 70 DDIDLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)CC[N@@H+]1C ZINC000160928114 408540036 /nfs/dbraw/zinc/54/00/36/408540036.db2.gz KPNKVWDWNBDTDH-BBRMVZONSA-N 2 2 310.463 1.804 20 70 DDIDLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)CC[N@H+]1C ZINC000160928114 408540042 /nfs/dbraw/zinc/54/00/42/408540042.db2.gz KPNKVWDWNBDTDH-BBRMVZONSA-N 2 2 310.463 1.804 20 70 DDIDLP c1cn(CC[NH+]2CCN(c3ncnc4ccsc43)CC2)c[nH+]1 ZINC000159849119 197368998 /nfs/dbraw/zinc/36/89/98/197368998.db2.gz QPUKLOQNFVCNIP-UHFFFAOYSA-N 2 2 314.418 1.710 20 70 DDIDLP CCc1nnc(C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)[nH]1 ZINC000160193360 408461703 /nfs/dbraw/zinc/46/17/03/408461703.db2.gz IRVHPGPPZJORSN-UHFFFAOYSA-N 2 2 323.485 1.938 20 70 DDIDLP CCc1nnc(C[NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)[nH]1 ZINC000160193360 408461709 /nfs/dbraw/zinc/46/17/09/408461709.db2.gz IRVHPGPPZJORSN-UHFFFAOYSA-N 2 2 323.485 1.938 20 70 DDIDLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000161300780 296135003 /nfs/dbraw/zinc/13/50/03/296135003.db2.gz ZYCVPXKWNWANAA-HOTGVXAUSA-N 2 2 316.449 1.922 20 70 DDIDLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161338575 539221331 /nfs/dbraw/zinc/22/13/31/539221331.db2.gz LPGDGVQIADUSJU-AWEZNQCLSA-N 2 2 302.422 1.651 20 70 DDIDLP C[N@H+](CCN1C[C@H]2OCC[NH+](C)[C@H]2C1)Cc1ccc(F)cc1 ZINC000160326793 162148164 /nfs/dbraw/zinc/14/81/64/162148164.db2.gz LNWVEXVKIXVBOK-DLBZAZTESA-N 2 2 307.413 1.272 20 70 DDIDLP C[N@@H+](CCN1C[C@H]2OCC[NH+](C)[C@H]2C1)Cc1ccc(F)cc1 ZINC000160326793 162148166 /nfs/dbraw/zinc/14/81/66/162148166.db2.gz LNWVEXVKIXVBOK-DLBZAZTESA-N 2 2 307.413 1.272 20 70 DDIDLP C[NH+](CCN1C[C@H]2OCC[N@H+](C)[C@H]2C1)Cc1ccc(F)cc1 ZINC000160326793 162148168 /nfs/dbraw/zinc/14/81/68/162148168.db2.gz LNWVEXVKIXVBOK-DLBZAZTESA-N 2 2 307.413 1.272 20 70 DDIDLP C[NH+](CCN1C[C@H]2OCC[N@@H+](C)[C@H]2C1)Cc1ccc(F)cc1 ZINC000160326793 162148170 /nfs/dbraw/zinc/14/81/70/162148170.db2.gz LNWVEXVKIXVBOK-DLBZAZTESA-N 2 2 307.413 1.272 20 70 DDIDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)CC[N@@H+]1C ZINC000160927982 408539602 /nfs/dbraw/zinc/53/96/02/408539602.db2.gz KPNKVWDWNBDTDH-CJNGLKHVSA-N 2 2 310.463 1.804 20 70 DDIDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)CC[N@H+]1C ZINC000160927982 408539608 /nfs/dbraw/zinc/53/96/08/408539608.db2.gz KPNKVWDWNBDTDH-CJNGLKHVSA-N 2 2 310.463 1.804 20 70 DDIDLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161338696 539221336 /nfs/dbraw/zinc/22/13/36/539221336.db2.gz LPGDGVQIADUSJU-CQSZACIVSA-N 2 2 302.422 1.651 20 70 DDIDLP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[NH2+]CC1 ZINC000159418530 197352786 /nfs/dbraw/zinc/35/27/86/197352786.db2.gz CWRXIBMPFZTLSF-HNNXBMFYSA-N 2 2 305.447 1.208 20 70 DDIDLP [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000161429151 484074152 /nfs/dbraw/zinc/07/41/52/484074152.db2.gz GTQLRPKNUNHUOR-SJORKVTESA-N 2 2 317.433 1.519 20 70 DDIDLP CCCCOC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000160411093 520717729 /nfs/dbraw/zinc/71/77/29/520717729.db2.gz LVABJRMAXLBJRW-HNNXBMFYSA-N 2 2 312.454 1.762 20 70 DDIDLP CN(Cc1ccco1)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161345041 539221504 /nfs/dbraw/zinc/22/15/04/539221504.db2.gz ZLUWIFILGULACF-UHFFFAOYSA-N 2 2 314.389 1.455 20 70 DDIDLP CC[N@H+](C)CCNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000161135809 408564216 /nfs/dbraw/zinc/56/42/16/408564216.db2.gz XUOVCQOUVLLHJI-AWEZNQCLSA-N 2 2 305.426 1.301 20 70 DDIDLP CC[N@@H+](C)CCNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000161135809 408564223 /nfs/dbraw/zinc/56/42/23/408564223.db2.gz XUOVCQOUVLLHJI-AWEZNQCLSA-N 2 2 305.426 1.301 20 70 DDIDLP C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H](C[NH3+])C1CC1 ZINC000160045222 197382043 /nfs/dbraw/zinc/38/20/43/197382043.db2.gz XQDCJDOEPSQEFN-CYBMUJFWSA-N 2 2 306.797 1.517 20 70 DDIDLP C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H](C[NH3+])C1CC1 ZINC000160045222 197382044 /nfs/dbraw/zinc/38/20/44/197382044.db2.gz XQDCJDOEPSQEFN-CYBMUJFWSA-N 2 2 306.797 1.517 20 70 DDIDLP C[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000160381837 522856737 /nfs/dbraw/zinc/85/67/37/522856737.db2.gz YRRONGGZWFUOFV-INIZCTEOSA-N 2 2 312.417 1.694 20 70 DDIDLP C[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000160381837 522856746 /nfs/dbraw/zinc/85/67/46/522856746.db2.gz YRRONGGZWFUOFV-INIZCTEOSA-N 2 2 312.417 1.694 20 70 DDIDLP C[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000159609056 408418412 /nfs/dbraw/zinc/41/84/12/408418412.db2.gz GMQCPZAJJRLWLH-CJNGLKHVSA-N 2 2 309.454 1.086 20 70 DDIDLP C[N@H+](CCn1cc[nH+]c1)CCN1CCN(c2ccccc2)CC1 ZINC000159843834 197367828 /nfs/dbraw/zinc/36/78/28/197367828.db2.gz SZBYGNMYAXAQHT-UHFFFAOYSA-N 2 2 313.449 1.637 20 70 DDIDLP C[N@@H+](CCn1cc[nH+]c1)CCN1CCN(c2ccccc2)CC1 ZINC000159843834 197367829 /nfs/dbraw/zinc/36/78/29/197367829.db2.gz SZBYGNMYAXAQHT-UHFFFAOYSA-N 2 2 313.449 1.637 20 70 DDIDLP CCC(CC)[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000161192607 484072793 /nfs/dbraw/zinc/07/27/93/484072793.db2.gz WVGQEMCWGMMRDP-ARFHVFGLSA-N 2 2 311.470 1.510 20 70 DDIDLP CC[N@@H+]1CCCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000159662693 408425898 /nfs/dbraw/zinc/42/58/98/408425898.db2.gz IMLJMDYBELKVJU-UHFFFAOYSA-N 2 2 305.426 1.621 20 70 DDIDLP CC[N@H+]1CCCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000159662693 408425902 /nfs/dbraw/zinc/42/59/02/408425902.db2.gz IMLJMDYBELKVJU-UHFFFAOYSA-N 2 2 305.426 1.621 20 70 DDIDLP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000161287844 539221410 /nfs/dbraw/zinc/22/14/10/539221410.db2.gz KQQDACXZNXYWMN-HOTGVXAUSA-N 2 2 316.449 1.708 20 70 DDIDLP Cc1ccccc1CNC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161371286 539221710 /nfs/dbraw/zinc/22/17/10/539221710.db2.gz OJDXCBVUZULNTF-UHFFFAOYSA-N 2 2 324.428 1.828 20 70 DDIDLP COC(=O)c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000161323850 354242651 /nfs/dbraw/zinc/24/26/51/354242651.db2.gz LXFYTBANZTUUHV-UHFFFAOYSA-N 2 2 301.346 1.783 20 70 DDIDLP Cc1nn(C)cc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000159951457 197375583 /nfs/dbraw/zinc/37/55/83/197375583.db2.gz KUJGXZOFIRMNBH-GOSISDBHSA-N 2 2 314.433 1.237 20 70 DDIDLP Cc1nn(C)cc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000159951457 197375587 /nfs/dbraw/zinc/37/55/87/197375587.db2.gz KUJGXZOFIRMNBH-GOSISDBHSA-N 2 2 314.433 1.237 20 70 DDIDLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)[NH+]1CCOCC1 ZINC000160547352 408494184 /nfs/dbraw/zinc/49/41/84/408494184.db2.gz POJSAMCPHMSXJQ-HOTGVXAUSA-N 2 2 323.481 1.478 20 70 DDIDLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21)[NH+]1CCOCC1 ZINC000160547352 408494193 /nfs/dbraw/zinc/49/41/93/408494193.db2.gz POJSAMCPHMSXJQ-HOTGVXAUSA-N 2 2 323.481 1.478 20 70 DDIDLP Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159378975 281215648 /nfs/dbraw/zinc/21/56/48/281215648.db2.gz OSXVOYFIGKLIEV-QGZVFWFLSA-N 2 2 301.434 1.909 20 70 DDIDLP Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159378975 281215649 /nfs/dbraw/zinc/21/56/49/281215649.db2.gz OSXVOYFIGKLIEV-QGZVFWFLSA-N 2 2 301.434 1.909 20 70 DDIDLP CCC[C@@H](C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1)[NH+](C)C ZINC000161388144 408596440 /nfs/dbraw/zinc/59/64/40/408596440.db2.gz XAALQFWFHIYALK-HOTGVXAUSA-N 2 2 313.486 1.580 20 70 DDIDLP CC[N@@H+]1CCCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000159622357 408421420 /nfs/dbraw/zinc/42/14/20/408421420.db2.gz LFWRAMCAEBEROT-UHFFFAOYSA-N 2 2 305.426 1.385 20 70 DDIDLP CC[N@H+]1CCCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000159622357 408421425 /nfs/dbraw/zinc/42/14/25/408421425.db2.gz LFWRAMCAEBEROT-UHFFFAOYSA-N 2 2 305.426 1.385 20 70 DDIDLP CC(C)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000160992784 408546903 /nfs/dbraw/zinc/54/69/03/408546903.db2.gz OVRKPUCYCHYRGS-HOCLYGCPSA-N 2 2 304.438 1.406 20 70 DDIDLP CC(C)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000160992784 408546909 /nfs/dbraw/zinc/54/69/09/408546909.db2.gz OVRKPUCYCHYRGS-HOCLYGCPSA-N 2 2 304.438 1.406 20 70 DDIDLP CN(C)S(=O)(=O)c1cccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000160064879 197383830 /nfs/dbraw/zinc/38/38/30/197383830.db2.gz JIBUKUIAMFEGRP-OAHLLOKOSA-N 2 2 311.451 1.106 20 70 DDIDLP CN(C)S(=O)(=O)c1cccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000160064879 197383832 /nfs/dbraw/zinc/38/38/32/197383832.db2.gz JIBUKUIAMFEGRP-OAHLLOKOSA-N 2 2 311.451 1.106 20 70 DDIDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160599146 408502264 /nfs/dbraw/zinc/50/22/64/408502264.db2.gz HMVNDJZMFFKULT-LPHOPBHVSA-N 3 2 317.477 1.949 20 70 DDIDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160599146 408502270 /nfs/dbraw/zinc/50/22/70/408502270.db2.gz HMVNDJZMFFKULT-LPHOPBHVSA-N 3 2 317.477 1.949 20 70 DDIDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)CC1 ZINC000161350901 408591180 /nfs/dbraw/zinc/59/11/80/408591180.db2.gz LYDIFYOFXLZTGN-SFHVURJKSA-N 3 2 308.514 1.574 20 70 DDIDLP CCC[C@H](C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1)[NH+](C)C ZINC000161388009 408597347 /nfs/dbraw/zinc/59/73/47/408597347.db2.gz XAALQFWFHIYALK-HZPDHXFCSA-N 2 2 313.486 1.580 20 70 DDIDLP O=C([C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1)N1CCOCC1 ZINC000161322614 296010248 /nfs/dbraw/zinc/01/02/48/296010248.db2.gz DRTPPBOKBIBHAD-KRWDZBQOSA-N 2 2 323.481 1.576 20 70 DDIDLP O=C([C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1)N1CCOCC1 ZINC000161322614 296010249 /nfs/dbraw/zinc/01/02/49/296010249.db2.gz DRTPPBOKBIBHAD-KRWDZBQOSA-N 2 2 323.481 1.576 20 70 DDIDLP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000161162145 408565540 /nfs/dbraw/zinc/56/55/40/408565540.db2.gz HJKXCFPFCDTZES-CQSZACIVSA-N 2 2 305.426 1.541 20 70 DDIDLP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000161162145 408565547 /nfs/dbraw/zinc/56/55/47/408565547.db2.gz HJKXCFPFCDTZES-CQSZACIVSA-N 2 2 305.426 1.541 20 70 DDIDLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)CC[N@@H+]1C ZINC000160927855 408539817 /nfs/dbraw/zinc/53/98/17/408539817.db2.gz KPNKVWDWNBDTDH-XJKSGUPXSA-N 2 2 310.463 1.804 20 70 DDIDLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)CC[N@H+]1C ZINC000160927855 408539819 /nfs/dbraw/zinc/53/98/19/408539819.db2.gz KPNKVWDWNBDTDH-XJKSGUPXSA-N 2 2 310.463 1.804 20 70 DDIDLP CC[NH+](CC)CCNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000159646276 408421394 /nfs/dbraw/zinc/42/13/94/408421394.db2.gz CORHNUXYNJPOEP-HNNXBMFYSA-N 2 2 319.453 1.691 20 70 DDIDLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161464950 408604194 /nfs/dbraw/zinc/60/41/94/408604194.db2.gz GZZDAZMLZZUULH-UONOGXRCSA-N 2 2 302.422 1.579 20 70 DDIDLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161464950 408604197 /nfs/dbraw/zinc/60/41/97/408604197.db2.gz GZZDAZMLZZUULH-UONOGXRCSA-N 2 2 302.422 1.579 20 70 DDIDLP C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161317848 539221473 /nfs/dbraw/zinc/22/14/73/539221473.db2.gz IUPRKPLMODCRLR-DOTOQJQBSA-N 2 2 316.449 1.899 20 70 DDIDLP CC(C)[C@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)[NH+](C)C ZINC000159364924 197347631 /nfs/dbraw/zinc/34/76/31/197347631.db2.gz PKICXVCOUPUVPT-MRXNPFEDSA-N 2 2 304.438 1.312 20 70 DDIDLP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160144046 408459231 /nfs/dbraw/zinc/45/92/31/408459231.db2.gz YERAURBJWHUTLQ-ZDUSSCGKSA-N 2 2 304.438 1.825 20 70 DDIDLP O=C(c1cccs1)N1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000159819334 408435911 /nfs/dbraw/zinc/43/59/11/408435911.db2.gz NFCCWQMBRNNSDP-UHFFFAOYSA-N 2 2 304.419 1.793 20 70 DDIDLP O=C(c1cccs1)N1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000159819334 408435917 /nfs/dbraw/zinc/43/59/17/408435917.db2.gz NFCCWQMBRNNSDP-UHFFFAOYSA-N 2 2 304.419 1.793 20 70 DDIDLP [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000161428849 484074171 /nfs/dbraw/zinc/07/41/71/484074171.db2.gz GTQLRPKNUNHUOR-DLBZAZTESA-N 2 2 317.433 1.519 20 70 DDIDLP CCCN(CCC)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161364646 539221191 /nfs/dbraw/zinc/22/11/91/539221191.db2.gz HZMITGOLXFIECB-UHFFFAOYSA-N 2 2 304.438 1.852 20 70 DDIDLP C[C@@H](CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccncc1 ZINC000160981475 539220845 /nfs/dbraw/zinc/22/08/45/539220845.db2.gz JNHWFIQRMXCZMK-HNNXBMFYSA-N 2 2 318.465 1.717 20 70 DDIDLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000161300565 296135082 /nfs/dbraw/zinc/13/50/82/296135082.db2.gz ZYCVPXKWNWANAA-JKSUJKDBSA-N 2 2 316.449 1.922 20 70 DDIDLP C[C@@H]1C[NH+](CC2CC[NH+](CCn3cc[nH+]c3)CC2)C[C@@H](C)O1 ZINC000159794603 408436305 /nfs/dbraw/zinc/43/63/05/408436305.db2.gz QWTRYYQPOTUURT-HZPDHXFCSA-N 3 2 306.454 1.704 20 70 DDIDLP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161465042 408604494 /nfs/dbraw/zinc/60/44/94/408604494.db2.gz GZZDAZMLZZUULH-KGLIPLIRSA-N 2 2 302.422 1.579 20 70 DDIDLP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161465042 408604499 /nfs/dbraw/zinc/60/44/99/408604499.db2.gz GZZDAZMLZZUULH-KGLIPLIRSA-N 2 2 302.422 1.579 20 70 DDIDLP Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000160625921 408505892 /nfs/dbraw/zinc/50/58/92/408505892.db2.gz GHPXMPHGLOCJPO-INIZCTEOSA-N 2 2 314.433 1.797 20 70 DDIDLP Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000160625921 408505894 /nfs/dbraw/zinc/50/58/94/408505894.db2.gz GHPXMPHGLOCJPO-INIZCTEOSA-N 2 2 314.433 1.797 20 70 DDIDLP Cc1ccc(CNC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161312872 539221206 /nfs/dbraw/zinc/22/12/06/539221206.db2.gz XGKJVPWXRWFPRH-UHFFFAOYSA-N 2 2 324.428 1.828 20 70 DDIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(C)C1=O ZINC000160024420 197379877 /nfs/dbraw/zinc/37/98/77/197379877.db2.gz OOIMTXLLMAEVAI-INIZCTEOSA-N 2 2 316.449 1.851 20 70 DDIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(C)C1=O ZINC000160024420 197379879 /nfs/dbraw/zinc/37/98/79/197379879.db2.gz OOIMTXLLMAEVAI-INIZCTEOSA-N 2 2 316.449 1.851 20 70 DDIDLP CN(c1ccccc1C[N@@H+]1CCNC(=O)C1)C1CC[NH+](C)CC1 ZINC000160501921 523653544 /nfs/dbraw/zinc/65/35/44/523653544.db2.gz AUPQIRUFXDQBMU-UHFFFAOYSA-N 2 2 316.449 1.149 20 70 DDIDLP CN(c1ccccc1C[N@H+]1CCNC(=O)C1)C1CC[NH+](C)CC1 ZINC000160501921 523653557 /nfs/dbraw/zinc/65/35/57/523653557.db2.gz AUPQIRUFXDQBMU-UHFFFAOYSA-N 2 2 316.449 1.149 20 70 DDIDLP CC(C)[C@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)[NH+](C)C ZINC000160190660 535320922 /nfs/dbraw/zinc/32/09/22/535320922.db2.gz OUEVOXWKOLVXRY-MRXNPFEDSA-N 2 2 304.438 1.312 20 70 DDIDLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161464833 408605659 /nfs/dbraw/zinc/60/56/59/408605659.db2.gz GZZDAZMLZZUULH-ZIAGYGMSSA-N 2 2 302.422 1.579 20 70 DDIDLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161464833 408605664 /nfs/dbraw/zinc/60/56/64/408605664.db2.gz GZZDAZMLZZUULH-ZIAGYGMSSA-N 2 2 302.422 1.579 20 70 DDIDLP COc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159370001 408402290 /nfs/dbraw/zinc/40/22/90/408402290.db2.gz YKSDEAIWTKGCHH-KRWDZBQOSA-N 2 2 317.433 1.609 20 70 DDIDLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000161300445 284504663 /nfs/dbraw/zinc/50/46/63/284504663.db2.gz ZYCVPXKWNWANAA-HZPDHXFCSA-N 2 2 316.449 1.922 20 70 DDIDLP CC[N@H+](C)CCNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000161135664 408563549 /nfs/dbraw/zinc/56/35/49/408563549.db2.gz XUOVCQOUVLLHJI-CQSZACIVSA-N 2 2 305.426 1.301 20 70 DDIDLP CC[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000161135664 408563555 /nfs/dbraw/zinc/56/35/55/408563555.db2.gz XUOVCQOUVLLHJI-CQSZACIVSA-N 2 2 305.426 1.301 20 70 DDIDLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000161316036 408586230 /nfs/dbraw/zinc/58/62/30/408586230.db2.gz SCTLBCHAJNIOSR-QGZVFWFLSA-N 2 2 323.506 1.975 20 70 DDIDLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000161316036 408586232 /nfs/dbraw/zinc/58/62/32/408586232.db2.gz SCTLBCHAJNIOSR-QGZVFWFLSA-N 2 2 323.506 1.975 20 70 DDIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(C)C1=O ZINC000160024295 197380029 /nfs/dbraw/zinc/38/00/29/197380029.db2.gz OOIMTXLLMAEVAI-MRXNPFEDSA-N 2 2 316.449 1.851 20 70 DDIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(C)C1=O ZINC000160024295 197380031 /nfs/dbraw/zinc/38/00/31/197380031.db2.gz OOIMTXLLMAEVAI-MRXNPFEDSA-N 2 2 316.449 1.851 20 70 DDIDLP CC(C)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000160992638 408546973 /nfs/dbraw/zinc/54/69/73/408546973.db2.gz OVRKPUCYCHYRGS-ZBFHGGJFSA-N 2 2 304.438 1.406 20 70 DDIDLP CC(C)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000160992638 408546978 /nfs/dbraw/zinc/54/69/78/408546978.db2.gz OVRKPUCYCHYRGS-ZBFHGGJFSA-N 2 2 304.438 1.406 20 70 DDIDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160462426 524896549 /nfs/dbraw/zinc/89/65/49/524896549.db2.gz DNBFCPWHVGJODY-APWZRJJASA-N 3 2 317.477 1.949 20 70 DDIDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160462426 524896559 /nfs/dbraw/zinc/89/65/59/524896559.db2.gz DNBFCPWHVGJODY-APWZRJJASA-N 3 2 317.477 1.949 20 70 DDIDLP [NH3+]CCC[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000160291743 527180356 /nfs/dbraw/zinc/18/03/56/527180356.db2.gz XDSQKLQUWKNQOQ-UHFFFAOYSA-N 2 2 309.361 1.418 20 70 DDIDLP [NH3+]CCC[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000160291743 527180357 /nfs/dbraw/zinc/18/03/57/527180357.db2.gz XDSQKLQUWKNQOQ-UHFFFAOYSA-N 2 2 309.361 1.418 20 70 DDIDLP Cn1c[nH+]cc1CNc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000160180732 408459760 /nfs/dbraw/zinc/45/97/60/408459760.db2.gz NFPGIEZPJSLEAD-UHFFFAOYSA-N 2 2 301.394 1.900 20 70 DDIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCCCC1 ZINC000161290499 539221393 /nfs/dbraw/zinc/22/13/93/539221393.db2.gz OTALDKJSOWWHFY-UHFFFAOYSA-N 2 2 302.422 1.606 20 70 DDIDLP COCCN(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000159412811 408404742 /nfs/dbraw/zinc/40/47/42/408404742.db2.gz JYXAAEJTPJZUNV-AEFFLSMTSA-N 2 2 320.481 1.460 20 70 DDIDLP COCCN(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000159412811 408404748 /nfs/dbraw/zinc/40/47/48/408404748.db2.gz JYXAAEJTPJZUNV-AEFFLSMTSA-N 2 2 320.481 1.460 20 70 DDIDLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC(N)=O)cc1 ZINC000161246625 408579757 /nfs/dbraw/zinc/57/97/57/408579757.db2.gz DXSPOTMBLREIFU-UHFFFAOYSA-N 2 2 316.405 1.659 20 70 DDIDLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC(N)=O)cc1 ZINC000161246625 408579764 /nfs/dbraw/zinc/57/97/64/408579764.db2.gz DXSPOTMBLREIFU-UHFFFAOYSA-N 2 2 316.405 1.659 20 70 DDIDLP Cc1nc(Cl)ccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000160912436 408539313 /nfs/dbraw/zinc/53/93/13/408539313.db2.gz DKVJCVFGOJPNLR-UHFFFAOYSA-N 2 2 324.856 1.799 20 70 DDIDLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160677813 354239849 /nfs/dbraw/zinc/23/98/49/354239849.db2.gz UDYVGVOEZVUGBK-HNNXBMFYSA-N 2 2 317.437 1.714 20 70 DDIDLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160677813 354239853 /nfs/dbraw/zinc/23/98/53/354239853.db2.gz UDYVGVOEZVUGBK-HNNXBMFYSA-N 2 2 317.437 1.714 20 70 DDIDLP OC[C@@H](O)C[N@H+](CCC[NH+]1CCCCC1)CCC(F)(F)F ZINC000161505092 408609880 /nfs/dbraw/zinc/60/98/80/408609880.db2.gz PSHJUNXVMAJWNG-ZDUSSCGKSA-N 2 2 312.376 1.470 20 70 DDIDLP OC[C@@H](O)C[N@@H+](CCC[NH+]1CCCCC1)CCC(F)(F)F ZINC000161505092 408609883 /nfs/dbraw/zinc/60/98/83/408609883.db2.gz PSHJUNXVMAJWNG-ZDUSSCGKSA-N 2 2 312.376 1.470 20 70 DDIDLP Cc1[nH+]c2ccccn2c1CN1CCC([N@H+](C)CCCO)CC1 ZINC000160454971 527178358 /nfs/dbraw/zinc/17/83/58/527178358.db2.gz KYOYQXVHHBJSTF-UHFFFAOYSA-N 2 2 316.449 1.921 20 70 DDIDLP Cc1[nH+]c2ccccn2c1CN1CCC([N@@H+](C)CCCO)CC1 ZINC000160454971 527178364 /nfs/dbraw/zinc/17/83/64/527178364.db2.gz KYOYQXVHHBJSTF-UHFFFAOYSA-N 2 2 316.449 1.921 20 70 DDIDLP Cc1nc2ccccn2c1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000160454971 527178370 /nfs/dbraw/zinc/17/83/70/527178370.db2.gz KYOYQXVHHBJSTF-UHFFFAOYSA-N 2 2 316.449 1.921 20 70 DDIDLP Cc1nc2ccccn2c1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000160454971 527178377 /nfs/dbraw/zinc/17/83/77/527178377.db2.gz KYOYQXVHHBJSTF-UHFFFAOYSA-N 2 2 316.449 1.921 20 70 DDIDLP CCCS(=O)(=O)NC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000161396626 408597414 /nfs/dbraw/zinc/59/74/14/408597414.db2.gz BOQHFOLXIDUVLK-HNNXBMFYSA-N 2 2 317.499 1.265 20 70 DDIDLP CCCS(=O)(=O)NC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000161396626 408597421 /nfs/dbraw/zinc/59/74/21/408597421.db2.gz BOQHFOLXIDUVLK-HNNXBMFYSA-N 2 2 317.499 1.265 20 70 DDIDLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000161496899 284504655 /nfs/dbraw/zinc/50/46/55/284504655.db2.gz BYVILNGZKNZKSU-HZPDHXFCSA-N 2 2 316.449 1.922 20 70 DDIDLP CC(C)[NH2+]C1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000160499903 519719329 /nfs/dbraw/zinc/71/93/29/519719329.db2.gz FRFJZHOQOAXDFV-UHFFFAOYSA-N 2 2 322.453 1.313 20 70 DDIDLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000159425004 283320621 /nfs/dbraw/zinc/32/06/21/283320621.db2.gz QQNAFIHMXUBDNE-INIZCTEOSA-N 2 2 305.397 1.740 20 70 DDIDLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000159425004 283320626 /nfs/dbraw/zinc/32/06/26/283320626.db2.gz QQNAFIHMXUBDNE-INIZCTEOSA-N 2 2 305.397 1.740 20 70 DDIDLP c1nc2ccccn2c1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000160625483 408505729 /nfs/dbraw/zinc/50/57/29/408505729.db2.gz GDLAOQMOLOPUEV-HNNXBMFYSA-N 2 2 300.406 1.488 20 70 DDIDLP c1nc2ccccn2c1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000160625483 408505732 /nfs/dbraw/zinc/50/57/32/408505732.db2.gz GDLAOQMOLOPUEV-HNNXBMFYSA-N 2 2 300.406 1.488 20 70 DDIDLP CN(C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000161303727 539221420 /nfs/dbraw/zinc/22/14/20/539221420.db2.gz PTSFPLRTYFPPMP-UHFFFAOYSA-N 2 2 316.449 1.995 20 70 DDIDLP CCN(CC)C(=O)C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161238572 408576880 /nfs/dbraw/zinc/57/68/80/408576880.db2.gz FCHOFEPVQRWRKG-UHFFFAOYSA-N 2 2 324.513 1.348 20 70 DDIDLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000161496785 408607063 /nfs/dbraw/zinc/60/70/63/408607063.db2.gz BYVILNGZKNZKSU-HOTGVXAUSA-N 2 2 316.449 1.922 20 70 DDIDLP Cn1cc[nH+]c1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000160844640 408529748 /nfs/dbraw/zinc/52/97/48/408529748.db2.gz AKVXFAPVWKMNJJ-UHFFFAOYSA-N 2 2 320.359 1.507 20 70 DDIDLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160677670 354239950 /nfs/dbraw/zinc/23/99/50/354239950.db2.gz UDYVGVOEZVUGBK-OAHLLOKOSA-N 2 2 317.437 1.714 20 70 DDIDLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160677670 354239953 /nfs/dbraw/zinc/23/99/53/354239953.db2.gz UDYVGVOEZVUGBK-OAHLLOKOSA-N 2 2 317.437 1.714 20 70 DDIDLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000159819904 197366172 /nfs/dbraw/zinc/36/61/72/197366172.db2.gz JKHOWEVPNKQYPN-HNNXBMFYSA-N 2 2 302.353 1.760 20 70 DDIDLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000159819904 197366174 /nfs/dbraw/zinc/36/61/74/197366174.db2.gz JKHOWEVPNKQYPN-HNNXBMFYSA-N 2 2 302.353 1.760 20 70 DDIDLP COCCN(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000159412957 408405550 /nfs/dbraw/zinc/40/55/50/408405550.db2.gz JYXAAEJTPJZUNV-WMZOPIPTSA-N 2 2 320.481 1.460 20 70 DDIDLP COCCN(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000159412957 408405556 /nfs/dbraw/zinc/40/55/56/408405556.db2.gz JYXAAEJTPJZUNV-WMZOPIPTSA-N 2 2 320.481 1.460 20 70 DDIDLP [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000161428947 484074936 /nfs/dbraw/zinc/07/49/36/484074936.db2.gz GTQLRPKNUNHUOR-IRXDYDNUSA-N 2 2 317.433 1.519 20 70 DDIDLP CN(C)S(=O)(=O)c1cccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160064742 197383888 /nfs/dbraw/zinc/38/38/88/197383888.db2.gz JIBUKUIAMFEGRP-HNNXBMFYSA-N 2 2 311.451 1.106 20 70 DDIDLP CN(C)S(=O)(=O)c1cccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160064742 197383890 /nfs/dbraw/zinc/38/38/90/197383890.db2.gz JIBUKUIAMFEGRP-HNNXBMFYSA-N 2 2 311.451 1.106 20 70 DDIDLP COCCC[N@H+](C)CCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160050839 408452400 /nfs/dbraw/zinc/45/24/00/408452400.db2.gz PYFJRXXVOUEQTG-UHFFFAOYSA-N 2 2 310.446 1.441 20 70 DDIDLP COCCC[N@@H+](C)CCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160050839 408452404 /nfs/dbraw/zinc/45/24/04/408452404.db2.gz PYFJRXXVOUEQTG-UHFFFAOYSA-N 2 2 310.446 1.441 20 70 DDIDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1=O ZINC000160071161 197383590 /nfs/dbraw/zinc/38/35/90/197383590.db2.gz XNZBDFOUTJYUHZ-HNNXBMFYSA-N 2 2 303.406 1.935 20 70 DDIDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1=O ZINC000160071161 197383591 /nfs/dbraw/zinc/38/35/91/197383591.db2.gz XNZBDFOUTJYUHZ-HNNXBMFYSA-N 2 2 303.406 1.935 20 70 DDIDLP CC1CCC(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000161339835 539221446 /nfs/dbraw/zinc/22/14/46/539221446.db2.gz OIGBCZUNLNLSHF-UHFFFAOYSA-N 2 2 316.449 1.899 20 70 DDIDLP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000160079956 408454140 /nfs/dbraw/zinc/45/41/40/408454140.db2.gz VPZNCBHFZSCZIT-SFHVURJKSA-N 2 2 302.466 1.992 20 70 DDIDLP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC000160079956 408454144 /nfs/dbraw/zinc/45/41/44/408454144.db2.gz VPZNCBHFZSCZIT-SFHVURJKSA-N 2 2 302.466 1.992 20 70 DDIDLP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161334762 539221267 /nfs/dbraw/zinc/22/12/67/539221267.db2.gz ATWHUEGLKYAZRL-MRXNPFEDSA-N 2 2 316.449 1.851 20 70 DDIDLP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161386790 539221634 /nfs/dbraw/zinc/22/16/34/539221634.db2.gz GRSBBKYFXRJIQF-INIZCTEOSA-N 2 2 316.449 1.995 20 70 DDIDLP CC[N@@H+]1CCCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000159542590 197361291 /nfs/dbraw/zinc/36/12/91/197361291.db2.gz RHBAWVLONODOPM-UHFFFAOYSA-N 2 2 301.394 1.572 20 70 DDIDLP CC[N@H+]1CCCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000159542590 197361293 /nfs/dbraw/zinc/36/12/93/197361293.db2.gz RHBAWVLONODOPM-UHFFFAOYSA-N 2 2 301.394 1.572 20 70 DDIDLP CC(C)c1nc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc[nH+]1 ZINC000160791248 408525185 /nfs/dbraw/zinc/52/51/85/408525185.db2.gz SDTZAVUAJMDZRZ-CQSZACIVSA-N 2 2 317.437 1.519 20 70 DDIDLP CC(C)c1nc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc[nH+]1 ZINC000160791248 408525188 /nfs/dbraw/zinc/52/51/88/408525188.db2.gz SDTZAVUAJMDZRZ-CQSZACIVSA-N 2 2 317.437 1.519 20 70 DDIDLP C[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000160855841 408531919 /nfs/dbraw/zinc/53/19/19/408531919.db2.gz SXWFGQQGDQGQGC-AWEZNQCLSA-N 2 2 304.438 1.640 20 70 DDIDLP C[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000160855841 408531928 /nfs/dbraw/zinc/53/19/28/408531928.db2.gz SXWFGQQGDQGQGC-AWEZNQCLSA-N 2 2 304.438 1.640 20 70 DDIDLP CCC[C@H](C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1)[NH+](C)C ZINC000161388277 408596401 /nfs/dbraw/zinc/59/64/01/408596401.db2.gz XAALQFWFHIYALK-JKSUJKDBSA-N 2 2 313.486 1.580 20 70 DDIDLP CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161290883 539221248 /nfs/dbraw/zinc/22/12/48/539221248.db2.gz JHQPNDHNVKTQKY-INIZCTEOSA-N 2 2 316.449 1.995 20 70 DDIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCc2ccccc21 ZINC000161296941 539221290 /nfs/dbraw/zinc/22/12/90/539221290.db2.gz RFSOEKRVBORCNF-UHFFFAOYSA-N 2 2 322.412 1.793 20 70 DDIDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)CC1 ZINC000161350764 408592812 /nfs/dbraw/zinc/59/28/12/408592812.db2.gz LYDIFYOFXLZTGN-GOSISDBHSA-N 3 2 308.514 1.574 20 70 DDIDLP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161465152 408605237 /nfs/dbraw/zinc/60/52/37/408605237.db2.gz GZZDAZMLZZUULH-KBPBESRZSA-N 2 2 302.422 1.579 20 70 DDIDLP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161465152 408605240 /nfs/dbraw/zinc/60/52/40/408605240.db2.gz GZZDAZMLZZUULH-KBPBESRZSA-N 2 2 302.422 1.579 20 70 DDIDLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000161300665 304367869 /nfs/dbraw/zinc/36/78/69/304367869.db2.gz ZYCVPXKWNWANAA-CVEARBPZSA-N 2 2 316.449 1.922 20 70 DDIDLP CCC[C@H](C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[NH+](C)C ZINC000160584730 408499113 /nfs/dbraw/zinc/49/91/13/408499113.db2.gz XCJXQIQPZMNLJP-OAHLLOKOSA-N 2 2 320.437 1.895 20 70 DDIDLP [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000161429064 484074618 /nfs/dbraw/zinc/07/46/18/484074618.db2.gz GTQLRPKNUNHUOR-IAGOWNOFSA-N 2 2 317.433 1.519 20 70 DDIDLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161317217 539221342 /nfs/dbraw/zinc/22/13/42/539221342.db2.gz RGUHMTJSKKTZIC-OAHLLOKOSA-N 2 2 302.422 1.605 20 70 DDIDLP CC(C)OCC[NH+]1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000160921771 408539513 /nfs/dbraw/zinc/53/95/13/408539513.db2.gz WVFIYKBFKQYMJQ-UHFFFAOYSA-N 2 2 302.422 1.877 20 70 DDIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)NC1CCCCC1 ZINC000161301827 539221355 /nfs/dbraw/zinc/22/13/55/539221355.db2.gz XRDILAUBDWKVCT-UHFFFAOYSA-N 2 2 302.422 1.653 20 70 DDIDLP CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000161095897 285120389 /nfs/dbraw/zinc/12/03/89/285120389.db2.gz IVVDURQCFSTUPJ-HNNXBMFYSA-N 2 2 304.438 1.456 20 70 DDIDLP CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000161095897 285120392 /nfs/dbraw/zinc/12/03/92/285120392.db2.gz IVVDURQCFSTUPJ-HNNXBMFYSA-N 2 2 304.438 1.456 20 70 DDIDLP COc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159369865 278010102 /nfs/dbraw/zinc/01/01/02/278010102.db2.gz YKSDEAIWTKGCHH-QGZVFWFLSA-N 2 2 317.433 1.609 20 70 DDIDLP COc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000159369865 278010104 /nfs/dbraw/zinc/01/01/04/278010104.db2.gz YKSDEAIWTKGCHH-QGZVFWFLSA-N 2 2 317.433 1.609 20 70 DDIDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)C1 ZINC000161223343 408575806 /nfs/dbraw/zinc/57/58/06/408575806.db2.gz KSQGZUZRKDSVOV-HIFRSBDPSA-N 2 2 321.490 1.951 20 70 DDIDLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)C1 ZINC000161223343 408575811 /nfs/dbraw/zinc/57/58/11/408575811.db2.gz KSQGZUZRKDSVOV-HIFRSBDPSA-N 2 2 321.490 1.951 20 70 DDIDLP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000161223343 408575817 /nfs/dbraw/zinc/57/58/17/408575817.db2.gz KSQGZUZRKDSVOV-HIFRSBDPSA-N 2 2 321.490 1.951 20 70 DDIDLP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000161223343 408575819 /nfs/dbraw/zinc/57/58/19/408575819.db2.gz KSQGZUZRKDSVOV-HIFRSBDPSA-N 2 2 321.490 1.951 20 70 DDIDLP C[N@@H+]1CCN(CCC[NH+]2CCOCC2)[C@H](c2ccccc2)C1 ZINC000161337915 277104465 /nfs/dbraw/zinc/10/44/65/277104465.db2.gz SXRSQBCWZVNNID-SFHVURJKSA-N 2 2 303.450 1.697 20 70 DDIDLP C[N@H+]1CCN(CCC[NH+]2CCOCC2)[C@H](c2ccccc2)C1 ZINC000161337915 277104467 /nfs/dbraw/zinc/10/44/67/277104467.db2.gz SXRSQBCWZVNNID-SFHVURJKSA-N 2 2 303.450 1.697 20 70 DDIDLP C[N@H+](CCCO)C1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000160454826 162149850 /nfs/dbraw/zinc/14/98/50/162149850.db2.gz ZJLOWHLTGCSWMN-UHFFFAOYSA-N 2 2 302.422 1.613 20 70 DDIDLP C[N@@H+](CCCO)C1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000160454826 162149852 /nfs/dbraw/zinc/14/98/52/162149852.db2.gz ZJLOWHLTGCSWMN-UHFFFAOYSA-N 2 2 302.422 1.613 20 70 DDIDLP c1cn(-c2ccc(CSCC[NH+]3CCOCC3)cn2)c[nH+]1 ZINC000159934870 197375300 /nfs/dbraw/zinc/37/53/00/197375300.db2.gz GRMVIINWFMRSFQ-UHFFFAOYSA-N 2 2 304.419 1.833 20 70 DDIDLP Cc1nc(CN2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)no1 ZINC000160961547 408545839 /nfs/dbraw/zinc/54/58/39/408545839.db2.gz POTNSJZIXHDHEQ-UHFFFAOYSA-N 2 2 321.469 1.762 20 70 DDIDLP Cc1nc(CN2CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)no1 ZINC000160961547 408545843 /nfs/dbraw/zinc/54/58/43/408545843.db2.gz POTNSJZIXHDHEQ-UHFFFAOYSA-N 2 2 321.469 1.762 20 70 DDIDLP CC[C@@H](C)NC(=O)C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161231634 408576697 /nfs/dbraw/zinc/57/66/97/408576697.db2.gz DIPNTWZPFZFZLY-QGZVFWFLSA-N 2 2 324.513 1.395 20 70 DDIDLP CCC(CC)(C[NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000161267731 408578283 /nfs/dbraw/zinc/57/82/83/408578283.db2.gz OZQMUNKKUHXWAW-UHFFFAOYSA-N 2 2 301.394 1.649 20 70 DDIDLP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161318480 539221251 /nfs/dbraw/zinc/22/12/51/539221251.db2.gz PFSLYZUVJBWMQV-MRXNPFEDSA-N 2 2 324.428 1.909 20 70 DDIDLP C[C@H](CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccncc1 ZINC000160981603 539220657 /nfs/dbraw/zinc/22/06/57/539220657.db2.gz JNHWFIQRMXCZMK-OAHLLOKOSA-N 2 2 318.465 1.717 20 70 DDIDLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000161287959 539221300 /nfs/dbraw/zinc/22/13/00/539221300.db2.gz KQQDACXZNXYWMN-HZPDHXFCSA-N 2 2 316.449 1.708 20 70 DDIDLP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000161162268 408567288 /nfs/dbraw/zinc/56/72/88/408567288.db2.gz HJKXCFPFCDTZES-AWEZNQCLSA-N 2 2 305.426 1.541 20 70 DDIDLP C[C@H]1CCC[N@H+]1C1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000161162268 408567293 /nfs/dbraw/zinc/56/72/93/408567293.db2.gz HJKXCFPFCDTZES-AWEZNQCLSA-N 2 2 305.426 1.541 20 70 DDIDLP CC1CCN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000161304281 539221468 /nfs/dbraw/zinc/22/14/68/539221468.db2.gz XITAXUQBBBJCBU-UHFFFAOYSA-N 2 2 302.422 1.462 20 70 DDIDLP CC[C@H](C)NC(=O)C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161231753 408576718 /nfs/dbraw/zinc/57/67/18/408576718.db2.gz DIPNTWZPFZFZLY-KRWDZBQOSA-N 2 2 324.513 1.395 20 70 DDIDLP COc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000160958320 539220806 /nfs/dbraw/zinc/22/08/06/539220806.db2.gz RESLVHKNXLWXQV-UKRRQHHQSA-N 2 2 305.422 1.384 20 70 DDIDLP COc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000160958320 539220808 /nfs/dbraw/zinc/22/08/08/539220808.db2.gz RESLVHKNXLWXQV-UKRRQHHQSA-N 2 2 305.422 1.384 20 70 DDIDLP O=C([C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1)N1CCOCC1 ZINC000161322500 408587357 /nfs/dbraw/zinc/58/73/57/408587357.db2.gz DRTPPBOKBIBHAD-QGZVFWFLSA-N 2 2 323.481 1.576 20 70 DDIDLP O=C([C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1)N1CCOCC1 ZINC000161322500 408587363 /nfs/dbraw/zinc/58/73/63/408587363.db2.gz DRTPPBOKBIBHAD-QGZVFWFLSA-N 2 2 323.481 1.576 20 70 DDIDLP CC(C)N(C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000161312479 539221491 /nfs/dbraw/zinc/22/14/91/539221491.db2.gz ODFNEEBXNYHXKL-UHFFFAOYSA-N 2 2 304.438 1.849 20 70 DDIDLP O=C1OCCN1c1cccc2c1CC[N@H+](CCn1cc[nH+]c1)C2 ZINC000159853712 408438718 /nfs/dbraw/zinc/43/87/18/408438718.db2.gz FYJVCCZRQCIEOA-UHFFFAOYSA-N 2 2 312.373 1.898 20 70 DDIDLP O=C1OCCN1c1cccc2c1CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000159853712 408438722 /nfs/dbraw/zinc/43/87/22/408438722.db2.gz FYJVCCZRQCIEOA-UHFFFAOYSA-N 2 2 312.373 1.898 20 70 DDIDLP C[C@H]1CCO[C@@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000159609191 408419040 /nfs/dbraw/zinc/41/90/40/408419040.db2.gz GMQCPZAJJRLWLH-BBRMVZONSA-N 2 2 309.454 1.086 20 70 DDIDLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000161316170 408586358 /nfs/dbraw/zinc/58/63/58/408586358.db2.gz SCTLBCHAJNIOSR-KRWDZBQOSA-N 2 2 323.506 1.975 20 70 DDIDLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000161316170 408586362 /nfs/dbraw/zinc/58/63/62/408586362.db2.gz SCTLBCHAJNIOSR-KRWDZBQOSA-N 2 2 323.506 1.975 20 70 DDIDLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159665691 186134350 /nfs/dbraw/zinc/13/43/50/186134350.db2.gz NNXVJDHCKUYFBV-MRXNPFEDSA-N 2 2 317.437 1.003 20 70 DDIDLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159665691 186134352 /nfs/dbraw/zinc/13/43/52/186134352.db2.gz NNXVJDHCKUYFBV-MRXNPFEDSA-N 2 2 317.437 1.003 20 70 DDIDLP Cc1occc1C(=O)NC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000159797700 197365592 /nfs/dbraw/zinc/36/55/92/197365592.db2.gz ZDHSZSORYHGIJB-UHFFFAOYSA-N 2 2 302.378 1.679 20 70 DDIDLP CCc1cccc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000160914535 408539151 /nfs/dbraw/zinc/53/91/51/408539151.db2.gz ASOXFSQRABVKHG-UHFFFAOYSA-N 2 2 317.477 1.934 20 70 DDIDLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000159424850 408407744 /nfs/dbraw/zinc/40/77/44/408407744.db2.gz QQNAFIHMXUBDNE-MRXNPFEDSA-N 2 2 305.397 1.740 20 70 DDIDLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000159424850 408407747 /nfs/dbraw/zinc/40/77/47/408407747.db2.gz QQNAFIHMXUBDNE-MRXNPFEDSA-N 2 2 305.397 1.740 20 70 DDIDLP C[C@H]1CCO[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000159609449 408419750 /nfs/dbraw/zinc/41/97/50/408419750.db2.gz GMQCPZAJJRLWLH-XJKSGUPXSA-N 2 2 309.454 1.086 20 70 DDIDLP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000159617139 408423176 /nfs/dbraw/zinc/42/31/76/408423176.db2.gz ZEFWADFTDKHFPZ-MRXNPFEDSA-N 2 2 313.511 1.268 20 70 DDIDLP C(C[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1)N1CCOCC1 ZINC000159617139 408423180 /nfs/dbraw/zinc/42/31/80/408423180.db2.gz ZEFWADFTDKHFPZ-MRXNPFEDSA-N 2 2 313.511 1.268 20 70 DDIDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000161294543 408584551 /nfs/dbraw/zinc/58/45/51/408584551.db2.gz YDGYBAIHJREANO-CVEARBPZSA-N 2 2 323.481 1.476 20 70 DDIDLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000161294543 408584556 /nfs/dbraw/zinc/58/45/56/408584556.db2.gz YDGYBAIHJREANO-CVEARBPZSA-N 2 2 323.481 1.476 20 70 DDIDLP CCC[C@@H](C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1)[NH+](C)C ZINC000161387871 408598040 /nfs/dbraw/zinc/59/80/40/408598040.db2.gz XAALQFWFHIYALK-CVEARBPZSA-N 2 2 313.486 1.580 20 70 DDIDLP C[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000161304012 539221366 /nfs/dbraw/zinc/22/13/66/539221366.db2.gz MWTGDUWMWGYRRH-OAHLLOKOSA-N 2 2 302.422 1.462 20 70 DDIDLP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161339086 539221462 /nfs/dbraw/zinc/22/14/62/539221462.db2.gz KAMAYBCNYBAXGH-HNNXBMFYSA-N 2 2 302.422 1.605 20 70 DDIDLP C[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000160021439 408453094 /nfs/dbraw/zinc/45/30/94/408453094.db2.gz KRPDSOBMBSWKQM-AWEZNQCLSA-N 2 2 304.438 1.826 20 70 DDIDLP C[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000160021439 408453097 /nfs/dbraw/zinc/45/30/97/408453097.db2.gz KRPDSOBMBSWKQM-AWEZNQCLSA-N 2 2 304.438 1.826 20 70 DDIDLP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159665831 186133879 /nfs/dbraw/zinc/13/38/79/186133879.db2.gz NNXVJDHCKUYFBV-INIZCTEOSA-N 2 2 317.437 1.003 20 70 DDIDLP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159665831 186133880 /nfs/dbraw/zinc/13/38/80/186133880.db2.gz NNXVJDHCKUYFBV-INIZCTEOSA-N 2 2 317.437 1.003 20 70 DDIDLP Cc1nc2ccccn2c1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000160625775 408504995 /nfs/dbraw/zinc/50/49/95/408504995.db2.gz GHPXMPHGLOCJPO-MRXNPFEDSA-N 2 2 314.433 1.797 20 70 DDIDLP Cc1nc2ccccn2c1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000160625775 408505002 /nfs/dbraw/zinc/50/50/02/408505002.db2.gz GHPXMPHGLOCJPO-MRXNPFEDSA-N 2 2 314.433 1.797 20 70 DDIDLP COCCC1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000161137393 408563860 /nfs/dbraw/zinc/56/38/60/408563860.db2.gz SNQJUQWTYXKKAT-UHFFFAOYSA-N 2 2 323.481 1.478 20 70 DDIDLP CC(C)NC(=O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000160943798 408541263 /nfs/dbraw/zinc/54/12/63/408541263.db2.gz GDTAIEMNFDEMSJ-UHFFFAOYSA-N 2 2 321.440 1.947 20 70 DDIDLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(F)c1 ZINC000161310403 539221309 /nfs/dbraw/zinc/22/13/09/539221309.db2.gz YVHPMVRTMDJFFR-UHFFFAOYSA-N 2 2 314.364 1.981 20 70 DDIDLP CC(=O)NC1CCC([NH2+]CCc2cn3ccccc3[nH+]2)CC1 ZINC000161021862 408551479 /nfs/dbraw/zinc/55/14/79/408551479.db2.gz OEXNPWKLBZOMNO-UHFFFAOYSA-N 2 2 300.406 1.914 20 70 DDIDLP COC(=O)C[C@@H]1CSCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161414593 408600033 /nfs/dbraw/zinc/60/00/33/408600033.db2.gz QSHUFJPOTUXQFF-CQSZACIVSA-N 2 2 300.468 1.843 20 70 DDIDLP COC(=O)C[C@@H]1CSCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161414593 408600037 /nfs/dbraw/zinc/60/00/37/408600037.db2.gz QSHUFJPOTUXQFF-CQSZACIVSA-N 2 2 300.468 1.843 20 70 DDIDLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161334902 539221404 /nfs/dbraw/zinc/22/14/04/539221404.db2.gz ATWHUEGLKYAZRL-INIZCTEOSA-N 2 2 316.449 1.851 20 70 DDIDLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000159819774 197366686 /nfs/dbraw/zinc/36/66/86/197366686.db2.gz JKHOWEVPNKQYPN-OAHLLOKOSA-N 2 2 302.353 1.760 20 70 DDIDLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000159819774 197366687 /nfs/dbraw/zinc/36/66/87/197366687.db2.gz JKHOWEVPNKQYPN-OAHLLOKOSA-N 2 2 302.353 1.760 20 70 DDIDLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161290772 539221233 /nfs/dbraw/zinc/22/12/33/539221233.db2.gz JHQPNDHNVKTQKY-MRXNPFEDSA-N 2 2 316.449 1.995 20 70 DDIDLP CCCS(=O)(=O)NC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000161396751 408598368 /nfs/dbraw/zinc/59/83/68/408598368.db2.gz BOQHFOLXIDUVLK-OAHLLOKOSA-N 2 2 317.499 1.265 20 70 DDIDLP CCCS(=O)(=O)NC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000161396751 408598373 /nfs/dbraw/zinc/59/83/73/408598373.db2.gz BOQHFOLXIDUVLK-OAHLLOKOSA-N 2 2 317.499 1.265 20 70 DDIDLP CCC[C@@H](C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[NH+](C)C ZINC000160584563 408500042 /nfs/dbraw/zinc/50/00/42/408500042.db2.gz XCJXQIQPZMNLJP-HNNXBMFYSA-N 2 2 320.437 1.895 20 70 DDIDLP CCCCOC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000160410960 520715432 /nfs/dbraw/zinc/71/54/32/520715432.db2.gz LVABJRMAXLBJRW-OAHLLOKOSA-N 2 2 312.454 1.762 20 70 DDIDLP CCc1nnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[nH]1 ZINC000159544709 408415921 /nfs/dbraw/zinc/41/59/21/408415921.db2.gz FYXHVLUEWSGNGV-YIONKMFJSA-N 2 2 318.469 1.110 20 70 DDIDLP CCc1nnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[nH]1 ZINC000159544709 408415929 /nfs/dbraw/zinc/41/59/29/408415929.db2.gz FYXHVLUEWSGNGV-YIONKMFJSA-N 2 2 318.469 1.110 20 70 DDIDLP C[C@H]1C[NH+](CC2CC[NH+](CCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000159794481 408436522 /nfs/dbraw/zinc/43/65/22/408436522.db2.gz QWTRYYQPOTUURT-HOTGVXAUSA-N 3 2 306.454 1.704 20 70 DDIDLP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160143917 277150862 /nfs/dbraw/zinc/15/08/62/277150862.db2.gz YERAURBJWHUTLQ-CYBMUJFWSA-N 2 2 304.438 1.825 20 70 DDIDLP CC[N@@H+]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000159665718 539219095 /nfs/dbraw/zinc/21/90/95/539219095.db2.gz IDEZHGHOVSEPCJ-UHFFFAOYSA-N 2 2 319.453 1.499 20 70 DDIDLP CC[N@H+]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000159665718 539219097 /nfs/dbraw/zinc/21/90/97/539219097.db2.gz IDEZHGHOVSEPCJ-UHFFFAOYSA-N 2 2 319.453 1.499 20 70 DDIDLP c1nc2ccccn2c1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000160625328 408505547 /nfs/dbraw/zinc/50/55/47/408505547.db2.gz GDLAOQMOLOPUEV-OAHLLOKOSA-N 2 2 300.406 1.488 20 70 DDIDLP c1nc2ccccn2c1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000160625328 408505554 /nfs/dbraw/zinc/50/55/54/408505554.db2.gz GDLAOQMOLOPUEV-OAHLLOKOSA-N 2 2 300.406 1.488 20 70 DDIDLP O=C(NCCCCNc1cccc[nH+]1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161431319 408601653 /nfs/dbraw/zinc/60/16/53/408601653.db2.gz YLSAYTMNCXLPIB-AWEZNQCLSA-N 2 2 313.405 1.849 20 70 DDIDLP CCC(CC)[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000161192824 484073265 /nfs/dbraw/zinc/07/32/65/484073265.db2.gz WVGQEMCWGMMRDP-HRCADAONSA-N 2 2 311.470 1.510 20 70 DDIDLP COc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000160958448 539220820 /nfs/dbraw/zinc/22/08/20/539220820.db2.gz RESLVHKNXLWXQV-DZGCQCFKSA-N 2 2 305.422 1.384 20 70 DDIDLP COc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000160958448 539220821 /nfs/dbraw/zinc/22/08/21/539220821.db2.gz RESLVHKNXLWXQV-DZGCQCFKSA-N 2 2 305.422 1.384 20 70 DDIDLP CC[C@H](C(N)=O)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000159991405 197378797 /nfs/dbraw/zinc/37/87/97/197378797.db2.gz TYQZZDQYHACNKG-OAHLLOKOSA-N 2 2 304.438 1.884 20 70 DDIDLP CC[C@H](C(N)=O)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000159991405 197378799 /nfs/dbraw/zinc/37/87/99/197378799.db2.gz TYQZZDQYHACNKG-OAHLLOKOSA-N 2 2 304.438 1.884 20 70 DDIDLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161317346 539221276 /nfs/dbraw/zinc/22/12/76/539221276.db2.gz RGUHMTJSKKTZIC-HNNXBMFYSA-N 2 2 302.422 1.605 20 70 DDIDLP C[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000160381690 522857158 /nfs/dbraw/zinc/85/71/58/522857158.db2.gz YRRONGGZWFUOFV-MRXNPFEDSA-N 2 2 312.417 1.694 20 70 DDIDLP C[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000160381690 522857166 /nfs/dbraw/zinc/85/71/66/522857166.db2.gz YRRONGGZWFUOFV-MRXNPFEDSA-N 2 2 312.417 1.694 20 70 DDIDLP C[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000160021305 408451340 /nfs/dbraw/zinc/45/13/40/408451340.db2.gz KRPDSOBMBSWKQM-CQSZACIVSA-N 2 2 304.438 1.826 20 70 DDIDLP C[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000160021305 408451345 /nfs/dbraw/zinc/45/13/45/408451345.db2.gz KRPDSOBMBSWKQM-CQSZACIVSA-N 2 2 304.438 1.826 20 70 DDIDLP CC(C)[N@H+]1C[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000161294650 408584717 /nfs/dbraw/zinc/58/47/17/408584717.db2.gz YDGYBAIHJREANO-HOTGVXAUSA-N 2 2 323.481 1.476 20 70 DDIDLP CC(C)[N@@H+]1C[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000161294650 408584722 /nfs/dbraw/zinc/58/47/22/408584722.db2.gz YDGYBAIHJREANO-HOTGVXAUSA-N 2 2 323.481 1.476 20 70 DDIDLP C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161317602 539221428 /nfs/dbraw/zinc/22/14/28/539221428.db2.gz IUPRKPLMODCRLR-RDJZCZTQSA-N 2 2 316.449 1.899 20 70 DDIDLP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161431209 408602180 /nfs/dbraw/zinc/60/21/80/408602180.db2.gz YLSAYTMNCXLPIB-CQSZACIVSA-N 2 2 313.405 1.849 20 70 DDIDLP COC(=O)C[C@H]1CSCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161414724 408599737 /nfs/dbraw/zinc/59/97/37/408599737.db2.gz QSHUFJPOTUXQFF-AWEZNQCLSA-N 2 2 300.468 1.843 20 70 DDIDLP COC(=O)C[C@H]1CSCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161414724 408599742 /nfs/dbraw/zinc/59/97/42/408599742.db2.gz QSHUFJPOTUXQFF-AWEZNQCLSA-N 2 2 300.468 1.843 20 70 DDIDLP