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)N[C@](C)(C#N)CCCC[N@H+](C)CCC[NH+](C)C ZINC000111144237 186359615 /nfs/dbraw/zinc/35/96/15/186359615.db2.gz QIYHIJXDVNZFAL-INIZCTEOSA-N 2 0 282.476 2.320 10 30 CEEERP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000572111799 299346853 /nfs/dbraw/zinc/34/68/53/299346853.db2.gz SPPIMRIIGNUSJD-RISCZKNCSA-N 2 0 261.344 2.175 10 30 CEEERP CC[N@@H+](Cc1cc(C#CC[NH3+])cs1)C[C@H]1CCCO1 ZINC000043688960 175095786 /nfs/dbraw/zinc/09/57/86/175095786.db2.gz VHPPAYQUEPEFOR-CQSZACIVSA-N 2 0 278.421 2.059 10 30 CEEERP CCN[C@@](C)(C#N)CCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315818 175358393 /nfs/dbraw/zinc/35/83/93/175358393.db2.gz GBFSRBLFRDRBND-QGZVFWFLSA-N 2 0 294.487 2.322 10 30 CEEERP C[N@@H+](Cc1ccc(F)cc1C#N)CC1CC[NH2+]CC1 ZINC000094024354 517934862 /nfs/dbraw/zinc/93/48/62/517934862.db2.gz DIMUXWBXWVDQJV-UHFFFAOYSA-N 2 0 261.344 2.129 10 30 CEEERP C[C@@H](C[C@](C)(C#N)NC1CC1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616228 524860388 /nfs/dbraw/zinc/86/03/88/524860388.db2.gz MSVCGIFORKKAGT-WMLDXEAASA-N 2 0 292.471 2.073 10 30 CEEERP C[C@@H]1CCC[N@H+](CCOc2cccc(C#CC[NH3+])c2)CC1 ZINC000110808321 186326526 /nfs/dbraw/zinc/32/65/26/186326526.db2.gz RRGVUDXAMDJZKS-MRXNPFEDSA-N 2 0 286.419 2.498 10 30 CEEERP Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)c(C#N)c(C)n1 ZINC000135064789 366391405 /nfs/dbraw/zinc/39/14/05/366391405.db2.gz JPKVHENVXGKBRG-ZDUSSCGKSA-N 2 0 258.369 2.324 10 30 CEEERP C=CC[NH+](CC=C)C[C@H]1[C@H]([NH3+])C(C)(C)OC1(C)C ZINC000094427875 184796089 /nfs/dbraw/zinc/79/60/89/184796089.db2.gz VVWDRIWZGSXSMH-STQMWFEESA-N 2 0 252.402 2.191 10 30 CEEERP CC(C)CN(CC[NH+](C)C)Cc1ccc(C#CC[NH3+])s1 ZINC000043684263 175093299 /nfs/dbraw/zinc/09/32/99/175093299.db2.gz TVVMOCIXZZCVGC-UHFFFAOYSA-N 2 0 293.480 2.078 10 30 CEEERP C[N@H+](CCCOc1ccc(C#N)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071189133 176064536 /nfs/dbraw/zinc/06/45/36/176064536.db2.gz FWTJTCZBMMBTHK-INIZCTEOSA-N 2 0 287.407 2.211 10 30 CEEERP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000160809679 264261995 /nfs/dbraw/zinc/26/19/95/264261995.db2.gz PVZKAGOIHCREMJ-CYBMUJFWSA-N 2 0 268.449 2.200 10 30 CEEERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(C)(C)CCC#N)CC1 ZINC000121155990 267567226 /nfs/dbraw/zinc/56/72/26/267567226.db2.gz LEJXCGJKQHEQBD-OAHLLOKOSA-N 2 0 295.471 2.341 10 30 CEEERP CC[NH+]=C(NCC1CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000262017253 629441472 /nfs/dbraw/zinc/44/14/72/629441472.db2.gz YATOCPQRRXTPCL-DZGCQCFKSA-N 2 0 280.460 2.070 10 30 CEEERP CC(C)CN(CC[NH+](C)C)Cc1sccc1C#CC[NH3+] ZINC000043684264 175093151 /nfs/dbraw/zinc/09/31/51/175093151.db2.gz IIASHESBEKKIGS-UHFFFAOYSA-N 2 0 293.480 2.078 10 30 CEEERP CCO[C@H]1CCC[N@H+](Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043689073 175095415 /nfs/dbraw/zinc/09/54/15/175095415.db2.gz HCKWPBSFCVPCBZ-AWEZNQCLSA-N 2 0 278.421 2.059 10 30 CEEERP C[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N[C@@H]1C[C@H]1C ZINC000262831397 330034677 /nfs/dbraw/zinc/03/46/77/330034677.db2.gz RMBYRLFBLYFEDS-BFHYXJOUSA-N 2 0 280.460 2.070 10 30 CEEERP C[C@@H](C[C@@](C)(C#N)NC1CC1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616222 524849677 /nfs/dbraw/zinc/84/96/77/524849677.db2.gz MSVCGIFORKKAGT-YOEHRIQHSA-N 2 0 292.471 2.073 10 30 CEEERP CC[N@@H+](Cc1sccc1C#CC[NH3+])C[C@H]1CCCO1 ZINC000043683828 175091920 /nfs/dbraw/zinc/09/19/20/175091920.db2.gz DNJUOZNSJZAPNA-CQSZACIVSA-N 2 0 278.421 2.059 10 30 CEEERP CC[N@H+](Cc1sccc1C#CC[NH3+])Cc1ccncc1 ZINC000043683874 175092233 /nfs/dbraw/zinc/09/22/33/175092233.db2.gz PXGNGRRIAPDELI-UHFFFAOYSA-N 2 0 285.416 2.475 10 30 CEEERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCC(C)(C)C#N)CC1 ZINC000174849654 261199446 /nfs/dbraw/zinc/19/94/46/261199446.db2.gz SBPJPMNQAGWKSC-HNNXBMFYSA-N 2 0 295.471 2.341 10 30 CEEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263269312 330051329 /nfs/dbraw/zinc/05/13/29/330051329.db2.gz OPSRHKUWHLWSLO-KGLIPLIRSA-N 2 0 278.444 2.098 10 30 CEEERP C[NH+](C)CCCC[NH2+]Cc1ccccc1OCC#N ZINC000045663939 524053031 /nfs/dbraw/zinc/05/30/31/524053031.db2.gz AYYBHXUYHDNRCW-UHFFFAOYSA-N 2 0 261.369 2.020 10 30 CEEERP CC[NH+]=C(NCC1CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262017255 629441130 /nfs/dbraw/zinc/44/11/30/629441130.db2.gz YATOCPQRRXTPCL-UKRRQHHQSA-N 2 0 280.460 2.070 10 30 CEEERP C[C@H]([NH3+])C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000110649291 186310388 /nfs/dbraw/zinc/31/03/88/186310388.db2.gz HDZWWJJMMQBEOM-ZDUSSCGKSA-N 2 0 282.391 2.370 10 30 CEEERP CCCN[C@@](C)(C#N)CCCC[N@H+](C)CCC[NH+](C)C ZINC000111144232 186358826 /nfs/dbraw/zinc/35/88/26/186358826.db2.gz NTQIEMWWDCEMBO-MRXNPFEDSA-N 2 0 282.476 2.322 10 30 CEEERP C[N@H+](CCOc1ccc(C#CC[NH3+])cc1)CC(C)(C)C ZINC000045086726 175304174 /nfs/dbraw/zinc/30/41/74/175304174.db2.gz DYSXXCIBXXNKHH-UHFFFAOYSA-N 2 0 274.408 2.354 10 30 CEEERP CCCN[C@](C)(C#N)CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315772 175357732 /nfs/dbraw/zinc/35/77/32/175357732.db2.gz FHPLRPLVXOYOSY-KRWDZBQOSA-N 2 0 294.487 2.322 10 30 CEEERP CC[NH+]=C(NC1CCC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262810397 330033274 /nfs/dbraw/zinc/03/32/74/330033274.db2.gz UYFBSCJMRXRDBN-MRXNPFEDSA-N 2 0 292.471 2.359 10 30 CEEERP CC(C)[NH2+]CC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000068760770 519720057 /nfs/dbraw/zinc/72/00/57/519720057.db2.gz BAHCJAAUNQGWIW-UHFFFAOYSA-N 2 0 272.396 2.163 10 30 CEEERP CCCCCCCCC[NH+]1CCN(CC[NH3+])CC1 ZINC000059157524 520028245 /nfs/dbraw/zinc/02/82/45/520028245.db2.gz QDZPRJITIMEBJC-UHFFFAOYSA-N 2 0 255.450 2.313 10 30 CEEERP COc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1C#N ZINC000226467024 522357050 /nfs/dbraw/zinc/35/70/50/522357050.db2.gz KTGGMUJPDLHTOZ-OAHLLOKOSA-N 2 0 273.380 2.141 10 30 CEEERP C[C@@H]1C[NH+](Cc2ccc(C#CC[NH3+])cc2F)C[C@H]1C ZINC000092086988 180321435 /nfs/dbraw/zinc/32/14/35/180321435.db2.gz GKTXKTUWHZIWDC-CHWSQXEVSA-N 2 0 260.356 2.224 10 30 CEEERP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)C[C@@H]1CCCCO1 ZINC000043688955 175095294 /nfs/dbraw/zinc/09/52/94/175095294.db2.gz BDFNAMGLAAVVGW-AWEZNQCLSA-N 2 0 278.421 2.059 10 30 CEEERP CCCN[C@@](C)(C#N)CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315776 175358307 /nfs/dbraw/zinc/35/83/07/175358307.db2.gz FHPLRPLVXOYOSY-QGZVFWFLSA-N 2 0 294.487 2.322 10 30 CEEERP C[N@H+](CCCOc1ccc(C#N)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071189132 176064493 /nfs/dbraw/zinc/06/44/93/176064493.db2.gz FWTJTCZBMMBTHK-MRXNPFEDSA-N 2 0 287.407 2.211 10 30 CEEERP C=CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000120440551 330387911 /nfs/dbraw/zinc/38/79/11/330387911.db2.gz GBLCLEDKEJKFRR-JKSUJKDBSA-N 2 0 266.429 2.168 10 30 CEEERP CCCN[C@](C)(C#N)C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612643 520103186 /nfs/dbraw/zinc/10/31/86/520103186.db2.gz RSPOSUQXXXZYTK-WBVHZDCISA-N 2 0 294.487 2.320 10 30 CEEERP CC[N@@H+](Cc1ccc(OC)c(C#CC[NH3+])c1)CC1CC1 ZINC000069238993 521323455 /nfs/dbraw/zinc/32/34/55/521323455.db2.gz LQLOMEMHOXHGAW-UHFFFAOYSA-N 2 0 272.392 2.237 10 30 CEEERP CC(C)NC(=[NH2+])NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000303890876 623293500 /nfs/dbraw/zinc/29/35/00/623293500.db2.gz QGIKBTNZPDFYLR-MRXNPFEDSA-N 2 0 288.439 2.354 10 30 CEEERP CCC[N@H+](Cc1ccnc(C#N)c1)C1CCC([NH3+])CC1 ZINC000091852580 180273256 /nfs/dbraw/zinc/27/32/56/180273256.db2.gz YRBPTFOWNDAMDL-UHFFFAOYSA-N 2 0 272.396 2.435 10 30 CEEERP C#CC[NH+]1CCC(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000040668865 174367573 /nfs/dbraw/zinc/36/75/73/174367573.db2.gz YIPVOWXFXTYLEZ-SJLPKXTDSA-N 2 0 291.483 2.184 10 30 CEEERP C=C(C)C[N@@H+](CC)C[C@@H]1CC[C@H](C[NH2+]CCC)O1 ZINC000052423543 175535130 /nfs/dbraw/zinc/53/51/30/175535130.db2.gz ZJARLQDHCGOTEJ-CABCVRRESA-N 2 0 254.418 2.432 10 30 CEEERP CC[NH+]=C(NCC[NH2+]C(C)(C)C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000156024364 260778309 /nfs/dbraw/zinc/77/83/09/260778309.db2.gz WNKQSDIAMCPEGS-GJZGRUSLSA-N 2 0 294.487 2.462 10 30 CEEERP CCCN[C@](C)(C#N)C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612650 520102911 /nfs/dbraw/zinc/10/29/11/520102911.db2.gz RSPOSUQXXXZYTK-RDJZCZTQSA-N 2 0 294.487 2.320 10 30 CEEERP CN[C@@](C)(C#N)C[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000068615420 522406173 /nfs/dbraw/zinc/40/61/73/522406173.db2.gz KRKWTOQLSFJSSY-NVXWUHKLSA-N 2 0 292.471 2.074 10 30 CEEERP C[C@H](C[C@](C)(C#N)NC1CC1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616233 524650841 /nfs/dbraw/zinc/65/08/41/524650841.db2.gz MSVCGIFORKKAGT-RHSMWYFYSA-N 2 0 292.471 2.073 10 30 CEEERP C[N@H+](Cc1ccc(C#N)cc1F)C1CCC([NH3+])CC1 ZINC000091846576 180270374 /nfs/dbraw/zinc/27/03/74/180270374.db2.gz JLJLCIHKRQEHME-UHFFFAOYSA-N 2 0 261.344 2.399 10 30 CEEERP C[C@H]1C[N@H+](Cc2ccc(C#CC[NH3+])cc2F)C[C@H]1C ZINC000092086986 180321438 /nfs/dbraw/zinc/32/14/38/180321438.db2.gz GKTXKTUWHZIWDC-BETUJISGSA-N 2 0 260.356 2.224 10 30 CEEERP C[C@@H]1CCC[N@H+](CCOc2ccc(C#CC[NH3+])cc2)CC1 ZINC000110808303 186326852 /nfs/dbraw/zinc/32/68/52/186326852.db2.gz FROKVWFTSYMMHV-MRXNPFEDSA-N 2 0 286.419 2.498 10 30 CEEERP C[NH+](C)CC1CC[NH+](CCC[C@@](C)(C#N)NC2CC2)CC1 ZINC000045315793 175358324 /nfs/dbraw/zinc/35/83/24/175358324.db2.gz OALWUIRSAUYWCR-KRWDZBQOSA-N 2 0 292.471 2.074 10 30 CEEERP C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261719183 329979499 /nfs/dbraw/zinc/97/94/99/329979499.db2.gz KQJOFVZFHFRENE-HRCADAONSA-N 2 0 292.471 2.024 10 30 CEEERP CCCN[C@@](C)(C#N)C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612645 520032399 /nfs/dbraw/zinc/03/23/99/520032399.db2.gz RSPOSUQXXXZYTK-NVXWUHKLSA-N 2 0 294.487 2.320 10 30 CEEERP CC(C)(C#N)CCC[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000087599512 534981905 /nfs/dbraw/zinc/98/19/05/534981905.db2.gz SZYAUKJFHWUKRP-UHFFFAOYSA-N 2 0 287.411 2.116 10 30 CEEERP CCOC1CC[NH+](Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043688950 175095766 /nfs/dbraw/zinc/09/57/66/175095766.db2.gz BCVLIRLLVAQUGF-UHFFFAOYSA-N 2 0 278.421 2.059 10 30 CEEERP C[NH+]=C(NCC1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262741819 262785548 /nfs/dbraw/zinc/78/55/48/262785548.db2.gz DULRHBVTYGMHOU-OAHLLOKOSA-N 2 0 292.471 2.359 10 30 CEEERP CC[NH+]=C(NCC(C)(C)[NH+]1CCCCC1)N[C@@H]1C[C@H]1C ZINC000262225192 330002118 /nfs/dbraw/zinc/00/21/18/330002118.db2.gz MBWWYLHWHCHCGP-ZIAGYGMSSA-N 2 0 280.460 2.214 10 30 CEEERP CC[NH+]=C(NCC1(C)CC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262396330 330012646 /nfs/dbraw/zinc/01/26/46/330012646.db2.gz MYXHZDFZCNBROS-AWEZNQCLSA-N 2 0 292.471 2.359 10 30 CEEERP CC[NH+]=C(NC1CCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262784730 330031355 /nfs/dbraw/zinc/03/13/55/330031355.db2.gz MAGXOQXTOIRMJC-CQSZACIVSA-N 2 0 278.444 2.111 10 30 CEEERP CC[C@H](C)[N@H+](CC)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608934 523934087 /nfs/dbraw/zinc/93/40/87/523934087.db2.gz GZYOUUGOWQTFAZ-HNNXBMFYSA-N 2 0 274.408 2.496 10 30 CEEERP C=C(Cl)CNC(N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)=[NH+]CC ZINC000261662578 628972859 /nfs/dbraw/zinc/97/28/59/628972859.db2.gz AYIIFFGTXJPVGG-DGCLKSJQSA-N 2 0 286.851 2.023 10 30 CEEERP C[C@H]1CCC[N@H+](CCOc2cccc(C#CC[NH3+])c2)CC1 ZINC000110808323 186325879 /nfs/dbraw/zinc/32/58/79/186325879.db2.gz RRGVUDXAMDJZKS-INIZCTEOSA-N 2 0 286.419 2.498 10 30 CEEERP C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000181559998 368470944 /nfs/dbraw/zinc/47/09/44/368470944.db2.gz XUBYKWGFRLFNPK-WMLDXEAASA-N 2 0 287.407 2.056 10 30 CEEERP CC[NH+](CC)CCOc1ccc(C)cc1C#CC[NH3+] ZINC000037548025 173264891 /nfs/dbraw/zinc/26/48/91/173264891.db2.gz QXEBRGODFBAIML-UHFFFAOYSA-N 2 0 260.381 2.026 10 30 CEEERP C[N@H+](CCc1ccccn1)Cc1ccc(C#CC[NH3+])s1 ZINC000043683578 175091546 /nfs/dbraw/zinc/09/15/46/175091546.db2.gz PHBFGGSGPCXBSU-UHFFFAOYSA-N 2 0 285.416 2.128 10 30 CEEERP CC[N@@H+](Cc1cc(C#CC[NH3+])cs1)C[C@@H]1CCCO1 ZINC000043688959 175095469 /nfs/dbraw/zinc/09/54/69/175095469.db2.gz VHPPAYQUEPEFOR-AWEZNQCLSA-N 2 0 278.421 2.059 10 30 CEEERP C[C@H]1CCCC[N@@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608388 526249871 /nfs/dbraw/zinc/24/98/71/526249871.db2.gz IKMDVOUASUDBHG-HNNXBMFYSA-N 2 0 272.392 2.250 10 30 CEEERP N#Cc1cccc(C[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)c1 ZINC000054602202 526704561 /nfs/dbraw/zinc/70/45/61/526704561.db2.gz VDNBMQTVTYBYRW-MQVJKMGUSA-N 2 0 255.365 2.402 10 30 CEEERP COCC[N@H+](Cc1sccc1C#CC[NH3+])[C@H](C)C1CC1 ZINC000043684234 175093156 /nfs/dbraw/zinc/09/31/56/175093156.db2.gz KGMMORNUBYWANS-CYBMUJFWSA-N 2 0 292.448 2.305 10 30 CEEERP CC(C)N[C@@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190785 176067597 /nfs/dbraw/zinc/06/75/97/176067597.db2.gz YTVVFOLQMOVPJS-DLBZAZTESA-N 2 0 294.487 2.320 10 30 CEEERP CC(C)N[C@](C)(C#N)C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612677 519739184 /nfs/dbraw/zinc/73/91/84/519739184.db2.gz PFRWNLHHCSTKBZ-WBVHZDCISA-N 2 0 294.487 2.319 10 30 CEEERP CCC[N@H+](CC)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049608866 521613702 /nfs/dbraw/zinc/61/37/02/521613702.db2.gz YHKCPPYFOHUEOB-UHFFFAOYSA-N 2 0 260.381 2.237 10 30 CEEERP CCC[N@H+](CCOc1ccc(C#CC[NH3+])cc1)C1CC1 ZINC000049608963 521669498 /nfs/dbraw/zinc/66/94/98/521669498.db2.gz BREMELJSXPMBKS-UHFFFAOYSA-N 2 0 272.392 2.250 10 30 CEEERP C[C@@H](C1CC1)[N@H+](C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609217 524320953 /nfs/dbraw/zinc/32/09/53/524320953.db2.gz QUVUYKQZWBRQER-LBPRGKRZSA-N 2 0 260.356 2.366 10 30 CEEERP C[C@@H]1C[C@H](C)C[N@@H+](CCOc2cccc(C#CC[NH3+])c2)C1 ZINC000049608637 525384126 /nfs/dbraw/zinc/38/41/26/525384126.db2.gz UPCZAGKAIPDVIO-IYBDPMFKSA-N 2 0 286.419 2.354 10 30 CEEERP C[NH+]=C(NCCC1=CCCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261935056 629345838 /nfs/dbraw/zinc/34/58/38/629345838.db2.gz CGCLBEVFKHNBER-GOEBONIOSA-N 2 0 292.471 2.381 10 30 CEEERP C[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N[C@@H]1C[C@@H]1C ZINC000083909232 632225279 /nfs/dbraw/zinc/22/52/79/632225279.db2.gz RMBYRLFBLYFEDS-MELADBBJSA-N 2 0 280.460 2.070 10 30 CEEERP CC[C@H](C)[N@H+](CCOC)Cc1ccc(C#CC[NH3+])cc1F ZINC000042590482 174811690 /nfs/dbraw/zinc/81/16/90/174811690.db2.gz RNWQPPRJSJBGBH-AWEZNQCLSA-N 2 0 292.398 2.383 10 30 CEEERP C=C(C)C[N@H+](CC)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052423420 518600080 /nfs/dbraw/zinc/60/00/80/518600080.db2.gz WHPDZONBCHRARY-UHFFFAOYSA-N 2 0 279.432 2.064 10 30 CEEERP C=CC[NH+](CC=C)C[C@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052376704 518770368 /nfs/dbraw/zinc/77/03/68/518770368.db2.gz XORGQDWDYQKOJB-JKSUJKDBSA-N 2 0 266.429 2.454 10 30 CEEERP CC[N@H+](CCOc1cccc(C#CC[NH3+])c1)CC(C)C ZINC000049608848 521149662 /nfs/dbraw/zinc/14/96/62/521149662.db2.gz YXKNAJQHMLBLNE-UHFFFAOYSA-N 2 0 274.408 2.354 10 30 CEEERP CCC[N@H+](CC)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049608867 521615457 /nfs/dbraw/zinc/61/54/57/521615457.db2.gz WISISHDEDNABAR-UHFFFAOYSA-N 2 0 260.381 2.237 10 30 CEEERP C[C@H]1CCC[N@H+](Cc2ccc(C#CC[NH3+])cc2F)C1 ZINC000049608470 524091332 /nfs/dbraw/zinc/09/13/32/524091332.db2.gz GIRVNXGHGNINGF-ZDUSSCGKSA-N 2 0 260.356 2.368 10 30 CEEERP C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#CC[NH3+])C1 ZINC000049608473 524235618 /nfs/dbraw/zinc/23/56/18/524235618.db2.gz OHBOMFCWHXMZFS-CYBMUJFWSA-N 2 0 260.356 2.368 10 30 CEEERP CCCO[C@H]1CCC[N@H+](Cc2ccc(C#CC[NH3+])s2)C1 ZINC000043684099 175091636 /nfs/dbraw/zinc/09/16/36/175091636.db2.gz MUQSNXGMMZLPCZ-AWEZNQCLSA-N 2 0 292.448 2.449 10 30 CEEERP CC[C@@H](C)[N@H+](CCOC)Cc1sccc1C#CC[NH3+] ZINC000043684189 175092947 /nfs/dbraw/zinc/09/29/47/175092947.db2.gz DCCNQANMNLHDBT-CYBMUJFWSA-N 2 0 280.437 2.305 10 30 CEEERP CC(C)C[N@H+](CCN(C)C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689133 175096287 /nfs/dbraw/zinc/09/62/87/175096287.db2.gz YZXPUPGNPLDMIT-UHFFFAOYSA-N 2 0 293.480 2.078 10 30 CEEERP CC[N@@H+](Cc1ccc(F)c(C#CC[NH3+])c1)CC1CC1 ZINC000069238985 521313089 /nfs/dbraw/zinc/31/30/89/521313089.db2.gz RZBQMJFVYKVZIP-UHFFFAOYSA-N 2 0 260.356 2.368 10 30 CEEERP C[N@H+](Cc1ccncc1)Cc1ccccc1C#CC[NH3+] ZINC000049609299 523462349 /nfs/dbraw/zinc/46/23/49/523462349.db2.gz UKTIMFCXXOGPMM-UHFFFAOYSA-N 2 0 265.360 2.024 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[N@H+](C)CCC(C)C ZINC000049609901 523514296 /nfs/dbraw/zinc/51/42/96/523514296.db2.gz BHYWBUCGGZGYTL-UHFFFAOYSA-N 2 0 274.408 2.483 10 30 CEEERP C[C@H](C1CC1)[N@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609220 526204065 /nfs/dbraw/zinc/20/40/65/526204065.db2.gz GROGFHYMFQAQDL-GFCCVEGCSA-N 2 0 260.356 2.366 10 30 CEEERP C[NH+]=C(NCCC1=CCCCC1)NC[C@H]1CCC[N@@H+]1C ZINC000114067408 526354759 /nfs/dbraw/zinc/35/47/59/526354759.db2.gz DRCAKOGSROAAJC-OAHLLOKOSA-N 2 0 278.444 2.136 10 30 CEEERP N#Cc1ccc([C@@H]2[C@@H](C[NH3+])CCC[N@@H+]2C2CC2)cc1 ZINC000070279743 526687807 /nfs/dbraw/zinc/68/78/07/526687807.db2.gz QNPYDHQDNXADPC-GDBMZVCRSA-N 2 0 255.365 2.432 10 30 CEEERP C[NH+]=C(NCC1(C2CC2)CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261972163 629406662 /nfs/dbraw/zinc/40/66/62/629406662.db2.gz NCDJIVXNINMXQQ-DZGCQCFKSA-N 2 0 292.471 2.070 10 30 CEEERP C[N+](C)(C)/C=N/CCCCCC/N=C/[N+](C)(C)C ZINC000017249619 717112821 /nfs/dbraw/zinc/11/28/21/717112821.db2.gz QKECCLZHBRFFTL-WXUKJITCSA-N 2 0 256.438 2.016 10 30 CEEERP C[N@H+](C[C@H](C#N)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091848035 180270826 /nfs/dbraw/zinc/27/08/26/180270826.db2.gz YMLRKXHPOQIZDE-FHERZECASA-N 2 0 257.381 2.495 10 30 CEEERP CCCCCCC[NH+]1CCN(C(C)(C)C[NH3+])CC1 ZINC000109464657 186253505 /nfs/dbraw/zinc/25/35/05/186253505.db2.gz MYARJCFQQVCUPS-UHFFFAOYSA-N 2 0 255.450 2.312 10 30 CEEERP COCC[N@H+](Cc1sccc1C#CC[NH3+])[C@@H](C)C1CC1 ZINC000043684232 175093160 /nfs/dbraw/zinc/09/31/60/175093160.db2.gz KGMMORNUBYWANS-ZDUSSCGKSA-N 2 0 292.448 2.305 10 30 CEEERP CC[N@H+](CCOc1ccc(C#CC[NH3+])cc1)C(C)C ZINC000049608893 521150955 /nfs/dbraw/zinc/15/09/55/521150955.db2.gz IEPVJQWCHWYAJR-UHFFFAOYSA-N 2 0 260.381 2.106 10 30 CEEERP C[N@H+](Cc1ccncc1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609302 523463403 /nfs/dbraw/zinc/46/34/03/523463403.db2.gz KUYULTOPCWQXLR-UHFFFAOYSA-N 2 0 265.360 2.024 10 30 CEEERP C[C@H](C[C@@](C)(C#N)NC1CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612630 524630132 /nfs/dbraw/zinc/63/01/32/524630132.db2.gz NMFCAEKCIPPSMD-PBHICJAKSA-N 2 0 292.471 2.073 10 30 CEEERP [NH3+]CC#Cc1cccc(OCC[NH+]2CCCCCC2)c1 ZINC000049608482 527153254 /nfs/dbraw/zinc/15/32/54/527153254.db2.gz VKAUSCFAPIQPMO-UHFFFAOYSA-N 2 0 272.392 2.252 10 30 CEEERP COC[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC12CC[NH2+]CC2 ZINC000169789796 344483020 /nfs/dbraw/zinc/48/30/20/344483020.db2.gz OLNKPYAXGHWRAY-QGZVFWFLSA-N 2 0 299.418 2.006 10 30 CEEERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(C)(C)CCC#N)CC1 ZINC000121155856 394793160 /nfs/dbraw/zinc/79/31/60/394793160.db2.gz LEJXCGJKQHEQBD-HNNXBMFYSA-N 2 0 295.471 2.341 10 30 CEEERP CCO[C@H]1CCC[N@H+](Cc2ccc(C#CC[NH3+])s2)C1 ZINC000043684106 175092673 /nfs/dbraw/zinc/09/26/73/175092673.db2.gz XBZGHLYFUCQVHC-ZDUSSCGKSA-N 2 0 278.421 2.059 10 30 CEEERP CC(C)[C@H](C)[N@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049609232 519811766 /nfs/dbraw/zinc/81/17/66/519811766.db2.gz OBINKDGOFCZURK-HNNXBMFYSA-N 2 0 274.408 2.352 10 30 CEEERP C[N@H+](Cc1ccc(C#CC[NH3+])cc1F)[C@@H]1CCSC1 ZINC000049609005 523204971 /nfs/dbraw/zinc/20/49/71/523204971.db2.gz IFBAIWQIWGQRKS-CQSZACIVSA-N 2 0 278.396 2.073 10 30 CEEERP C[N@H+](Cc1cccc(C#CC[NH3+])c1)Cc1ccccn1 ZINC000049609244 523290974 /nfs/dbraw/zinc/29/09/74/523290974.db2.gz YAAKIXMHNGHFMA-UHFFFAOYSA-N 2 0 265.360 2.024 10 30 CEEERP C[N@H+](Cc1ccco1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609117 523436007 /nfs/dbraw/zinc/43/60/07/523436007.db2.gz ZUVRQHIDLYWSJB-UHFFFAOYSA-N 2 0 254.333 2.222 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[N@H+](C)[C@H](C)C(C)C ZINC000049609227 523512575 /nfs/dbraw/zinc/51/25/75/523512575.db2.gz FQAOTHHVNOHWQU-CQSZACIVSA-N 2 0 274.408 2.482 10 30 CEEERP COc1ccc(C[N@H+](C)[C@@H](C)C2CC2)cc1C#CC[NH3+] ZINC000049609209 524009920 /nfs/dbraw/zinc/00/99/20/524009920.db2.gz HSLUUFVGKSGSNW-ZDUSSCGKSA-N 2 0 272.392 2.236 10 30 CEEERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C#CC[NH3+])C1 ZINC000049608625 525386601 /nfs/dbraw/zinc/38/66/01/525386601.db2.gz ZNSVOAPHHKXACA-GASCZTMLSA-N 2 0 256.393 2.475 10 30 CEEERP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N[C@@H]1C[C@@H]1C ZINC000083898762 625093933 /nfs/dbraw/zinc/09/39/33/625093933.db2.gz GGWXNIIOKYCKQD-ZQDZILKHSA-N 2 0 280.460 2.213 10 30 CEEERP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1C#N ZINC000600707381 346674376 /nfs/dbraw/zinc/67/43/76/346674376.db2.gz HHPRRDYHJGJYQT-IMJJTQAJSA-N 2 0 255.365 2.036 10 30 CEEERP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C#N ZINC000600707379 346674483 /nfs/dbraw/zinc/67/44/83/346674483.db2.gz HHPRRDYHJGJYQT-BPUTZDHNSA-N 2 0 255.365 2.036 10 30 CEEERP C[N@H+](CCOc1ccc(C#N)cc1)C1CCC([NH3+])CC1 ZINC000091847540 180271215 /nfs/dbraw/zinc/27/12/15/180271215.db2.gz GZXSXTNCIYQYQU-UHFFFAOYSA-N 2 0 273.380 2.139 10 30 CEEERP C=CC[NH2+]CC(=O)Nc1ccccc1C[NH+](CC)CC ZINC000092474240 180393775 /nfs/dbraw/zinc/39/37/75/180393775.db2.gz KFESIRQYSITITC-UHFFFAOYSA-N 2 0 275.396 2.243 10 30 CEEERP C[N@H+](CCOc1cccc(C#CC[NH3+])c1)CC(C)(C)C ZINC000045086737 175304376 /nfs/dbraw/zinc/30/43/76/175304376.db2.gz TVPPDBAJESERRZ-UHFFFAOYSA-N 2 0 274.408 2.354 10 30 CEEERP C[NH+]=C(NCC(C)(C)C[NH+](C)C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261704499 329978578 /nfs/dbraw/zinc/97/85/78/329978578.db2.gz JMFFUDZKGZSRDZ-GASCZTMLSA-N 2 0 294.487 2.272 10 30 CEEERP CCCC[N@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049608547 520412213 /nfs/dbraw/zinc/41/22/13/520412213.db2.gz YOMQTYBZCZPLEM-UHFFFAOYSA-N 2 0 260.381 2.108 10 30 CEEERP CC[C@@H](C)C[N@H+](C)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609019 521972120 /nfs/dbraw/zinc/97/21/20/521972120.db2.gz YFWBOVMOFDEHRI-CQSZACIVSA-N 2 0 274.408 2.483 10 30 CEEERP CN[C@](C)(C#N)C[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000068615409 522512346 /nfs/dbraw/zinc/51/23/46/522512346.db2.gz KRKWTOQLSFJSSY-RDJZCZTQSA-N 2 0 292.471 2.074 10 30 CEEERP CC[C@H](C)[N@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049608832 523922729 /nfs/dbraw/zinc/92/27/29/523922729.db2.gz AVQIPXVXWPDXFG-ZDUSSCGKSA-N 2 0 260.381 2.236 10 30 CEEERP C[C@@H](C[C@@](C)(C#N)NC1CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612627 524849490 /nfs/dbraw/zinc/84/94/90/524849490.db2.gz NMFCAEKCIPPSMD-YOEHRIQHSA-N 2 0 292.471 2.073 10 30 CEEERP CCCC[N@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608542 520409627 /nfs/dbraw/zinc/40/96/27/520409627.db2.gz LXIDDQXLNLPYKM-UHFFFAOYSA-N 2 0 260.381 2.108 10 30 CEEERP C[N@H+](Cc1ccc(C#CC[NH3+])cc1)Cc1cccnc1 ZINC000049609284 523203870 /nfs/dbraw/zinc/20/38/70/523203870.db2.gz XRMNFKAFURWCQX-UHFFFAOYSA-N 2 0 265.360 2.024 10 30 CEEERP C[N@H+](Cc1ccc(F)c(C#CC[NH3+])c1)[C@@H]1CCSC1 ZINC000049609011 523239480 /nfs/dbraw/zinc/23/94/80/523239480.db2.gz LWPHNTONLGYUDR-CQSZACIVSA-N 2 0 278.396 2.073 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000049609207 523513446 /nfs/dbraw/zinc/51/34/46/523513446.db2.gz GJWGNYPVPXDRBW-ZDUSSCGKSA-N 2 0 272.392 2.236 10 30 CEEERP C[NH+]=C(NCc1cccs1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261937295 629346185 /nfs/dbraw/zinc/34/61/85/629346185.db2.gz CSAMTBNRYZHZLH-TZMCWYRMSA-N 2 0 294.468 2.142 10 30 CEEERP CC[NH+](CC)CCN[C@@]1(C#N)CCC[N@@H+](C(C)C)CC1 ZINC000086849273 179357670 /nfs/dbraw/zinc/35/76/70/179357670.db2.gz OSYGUHLENXZVOQ-INIZCTEOSA-N 2 0 280.460 2.074 10 30 CEEERP COc1ccc(C[NH+]2C[C@@H](C)[C@H](C)C2)cc1C#CC[NH3+] ZINC000092087003 180321699 /nfs/dbraw/zinc/32/16/99/180321699.db2.gz RUFJTFUVMRVBNI-ZIAGYGMSSA-N 2 0 272.392 2.093 10 30 CEEERP CC(C)N[C@@](C)(C#N)C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612690 519735603 /nfs/dbraw/zinc/73/56/03/519735603.db2.gz PFRWNLHHCSTKBZ-DOTOQJQBSA-N 2 0 294.487 2.319 10 30 CEEERP CC(C)[C@@H](C)[N@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609221 519791084 /nfs/dbraw/zinc/79/10/84/519791084.db2.gz YFLALYRLCIHTOB-OAHLLOKOSA-N 2 0 274.408 2.352 10 30 CEEERP C[N@H+](CCc1ccncc1)Cc1ccccc1C#CC[NH3+] ZINC000049609395 522978479 /nfs/dbraw/zinc/97/84/79/522978479.db2.gz CGPRVKAWDHAWIT-UHFFFAOYSA-N 2 0 279.387 2.066 10 30 CEEERP CC[C@@H]1CCC[N@@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608258 523266622 /nfs/dbraw/zinc/26/66/22/523266622.db2.gz SMDUWCDUGMMFHF-MRXNPFEDSA-N 2 0 272.392 2.250 10 30 CEEERP CC[C@H](C)[N@H+](CC)CCOc1cccc(C#CC[NH3+])c1 ZINC000049608944 523934650 /nfs/dbraw/zinc/93/46/50/523934650.db2.gz XLPAHAOARCBMPP-HNNXBMFYSA-N 2 0 274.408 2.496 10 30 CEEERP COc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1C#CC[NH3+] ZINC000049608395 524026643 /nfs/dbraw/zinc/02/66/43/524026643.db2.gz ASYKZXDZXUVAEK-CQSZACIVSA-N 2 0 272.392 2.380 10 30 CEEERP C[C@@H]1CCC[N@H+](Cc2ccc(C#CC[NH3+])cc2F)C1 ZINC000049608469 524232592 /nfs/dbraw/zinc/23/25/92/524232592.db2.gz GIRVNXGHGNINGF-CYBMUJFWSA-N 2 0 260.356 2.368 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000092086991 180321632 /nfs/dbraw/zinc/32/16/32/180321632.db2.gz JHAIOVWUDYWCEM-ZIAGYGMSSA-N 2 0 272.392 2.093 10 30 CEEERP C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000181559755 368470361 /nfs/dbraw/zinc/47/03/61/368470361.db2.gz IVJCGTUPVWYVBB-PBHICJAKSA-N 2 0 287.407 2.056 10 30 CEEERP CC[NH+]=C(N[C@@H]1CC1(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000262288907 330004523 /nfs/dbraw/zinc/00/45/23/330004523.db2.gz YEHFWTHWUYJLJH-CQSZACIVSA-N 2 0 280.460 2.213 10 30 CEEERP C[NH+]=C(NCC1(C)CC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262340246 330007034 /nfs/dbraw/zinc/00/70/34/330007034.db2.gz CMAPZZLNJKIHKU-HNNXBMFYSA-N 2 0 292.471 2.216 10 30 CEEERP C=CC[NH+](CC=C)C[C@H]1CC[C@H](C[NH2+]CCC)O1 ZINC000052376677 518771270 /nfs/dbraw/zinc/77/12/70/518771270.db2.gz AEMHLEOCLLSVEY-HUUCEWRRSA-N 2 0 252.402 2.208 10 30 CEEERP CC[C@@H](C)[N@H+](CC)CCOc1cccc(C#CC[NH3+])c1 ZINC000049608943 522081551 /nfs/dbraw/zinc/08/15/51/522081551.db2.gz XLPAHAOARCBMPP-OAHLLOKOSA-N 2 0 274.408 2.496 10 30 CEEERP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)C[C@H]1CCCCO1 ZINC000049609526 523203102 /nfs/dbraw/zinc/20/31/02/523203102.db2.gz HUAQZFXPRJFDAK-MRXNPFEDSA-N 2 0 290.382 2.137 10 30 CEEERP COC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC12CC[NH2+]CC2 ZINC000169789795 344483005 /nfs/dbraw/zinc/48/30/05/344483005.db2.gz OLNKPYAXGHWRAY-KRWDZBQOSA-N 2 0 299.418 2.006 10 30 CEEERP COc1ccc(C[NH+]2C[C@H](C)[C@@H](C)C2)cc1C#CC[NH3+] ZINC000092087002 180321553 /nfs/dbraw/zinc/32/15/53/180321553.db2.gz RUFJTFUVMRVBNI-KBPBESRZSA-N 2 0 272.392 2.093 10 30 CEEERP CCC(CC)[N@H+](CCO)Cc1cc(C#CC[NH3+])cs1 ZINC000043689095 175095819 /nfs/dbraw/zinc/09/58/19/175095819.db2.gz XLNYBQSPCOBSRQ-UHFFFAOYSA-N 2 0 280.437 2.041 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[N@H+](C)CC(C)(C)C ZINC000045086732 175304466 /nfs/dbraw/zinc/30/44/66/175304466.db2.gz IMJYDFBYMFLCSE-UHFFFAOYSA-N 2 0 274.408 2.483 10 30 CEEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCC2(C1)CCCCC2 ZINC000262480635 330016714 /nfs/dbraw/zinc/01/67/14/330016714.db2.gz RIEFKGPEZAITJO-HNNXBMFYSA-N 2 0 292.471 2.312 10 30 CEEERP C[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])C[C@@H]1CCCCO1 ZINC000049609531 523254428 /nfs/dbraw/zinc/25/44/28/523254428.db2.gz YHOUGSVCKXUZGZ-KRWDZBQOSA-N 2 0 290.382 2.137 10 30 CEEERP C[C@H]1C[N@H+](Cc2ccc(F)c(C#CC[NH3+])c2)C[C@H]1C ZINC000092087004 180320956 /nfs/dbraw/zinc/32/09/56/180320956.db2.gz VMKHTXNOULCWCI-BETUJISGSA-N 2 0 260.356 2.224 10 30 CEEERP C=CC[NH2+]CC(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000092474210 180394009 /nfs/dbraw/zinc/39/40/09/180394009.db2.gz ZLUNMBHDDXJXDU-UHFFFAOYSA-N 2 0 275.396 2.243 10 30 CEEERP CC[C@@H](C)[N@H+](C)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049608829 522064399 /nfs/dbraw/zinc/06/43/99/522064399.db2.gz LMVXSEKLQRGDMI-CYBMUJFWSA-N 2 0 260.381 2.236 10 30 CEEERP CC(C)N[C@](C)(C#N)C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612684 519739307 /nfs/dbraw/zinc/73/93/07/519739307.db2.gz PFRWNLHHCSTKBZ-RDJZCZTQSA-N 2 0 294.487 2.319 10 30 CEEERP CC(C)C[NH2+]CC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000068760785 519743209 /nfs/dbraw/zinc/74/32/09/519743209.db2.gz YBNYGEVIGVRYIP-UHFFFAOYSA-N 2 0 286.423 2.411 10 30 CEEERP CCC[N@H+](Cc1ccc(OC)c(C#CC[NH3+])c1)C1CC1 ZINC000049608967 521684065 /nfs/dbraw/zinc/68/40/65/521684065.db2.gz HTDFELQIWJGVJC-UHFFFAOYSA-N 2 0 272.392 2.380 10 30 CEEERP COc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1C#CC[NH3+] ZINC000049608465 524027659 /nfs/dbraw/zinc/02/76/59/524027659.db2.gz WLRVIUICGKHZRA-CQSZACIVSA-N 2 0 272.392 2.237 10 30 CEEERP C=C(Br)C[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC000085873501 179194389 /nfs/dbraw/zinc/19/43/89/179194389.db2.gz UKNCNOGRKSWBMS-UHFFFAOYSA-N 2 0 261.207 2.357 10 30 CEEERP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000572111800 299347032 /nfs/dbraw/zinc/34/70/32/299347032.db2.gz SPPIMRIIGNUSJD-SMDDNHRTSA-N 2 0 261.344 2.175 10 30 CEEERP C#C[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306717036 376553926 /nfs/dbraw/zinc/55/39/26/376553926.db2.gz GXVWJKXLSKDQIF-CGTJXYLNSA-N 2 0 268.404 2.462 10 30 CEEERP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)C[C@H]1CCCCO1 ZINC000043688956 175095327 /nfs/dbraw/zinc/09/53/27/175095327.db2.gz BDFNAMGLAAVVGW-CQSZACIVSA-N 2 0 278.421 2.059 10 30 CEEERP C=CC[NH2+]C[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000053494199 518951325 /nfs/dbraw/zinc/95/13/25/518951325.db2.gz YKYBZUSZCVGOAP-OAHLLOKOSA-N 2 0 265.445 2.101 10 30 CEEERP CC[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)C[C@H]1CCCO1 ZINC000049609561 521299109 /nfs/dbraw/zinc/29/91/09/521299109.db2.gz MCHFAYNQLRFAJC-MRXNPFEDSA-N 2 0 290.382 2.137 10 30 CEEERP CC[C@@H](C)[N@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608823 522058867 /nfs/dbraw/zinc/05/88/67/522058867.db2.gz RMALEIWJOQVUER-CQSZACIVSA-N 2 0 260.381 2.106 10 30 CEEERP COc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1C#N ZINC000226467028 522359385 /nfs/dbraw/zinc/35/93/85/522359385.db2.gz KTGGMUJPDLHTOZ-HNNXBMFYSA-N 2 0 273.380 2.141 10 30 CEEERP C[N@H+](Cc1ccc(F)c(C#CC[NH3+])c1)[C@H]1CCSC1 ZINC000049609012 523239570 /nfs/dbraw/zinc/23/95/70/523239570.db2.gz LWPHNTONLGYUDR-AWEZNQCLSA-N 2 0 278.396 2.073 10 30 CEEERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(C#CC[NH3+])c2)C1 ZINC000049608643 525384778 /nfs/dbraw/zinc/38/47/78/525384778.db2.gz AGCPTCFBOJEGGF-GASCZTMLSA-N 2 0 256.393 2.475 10 30 CEEERP C[C@H]1C[NH+](Cc2ccc(F)c(C#CC[NH3+])c2)C[C@@H]1C ZINC000092087005 180321781 /nfs/dbraw/zinc/32/17/81/180321781.db2.gz VMKHTXNOULCWCI-STQMWFEESA-N 2 0 260.356 2.224 10 30 CEEERP C[NH+]=C(NCC1(C)CC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262340249 330006997 /nfs/dbraw/zinc/00/69/97/330006997.db2.gz CMAPZZLNJKIHKU-OAHLLOKOSA-N 2 0 292.471 2.216 10 30 CEEERP CC(C)CC[N@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609898 519651151 /nfs/dbraw/zinc/65/11/51/519651151.db2.gz CXBYPGUIHGOPJJ-UHFFFAOYSA-N 2 0 274.408 2.354 10 30 CEEERP CC[N@H+](Cc1cc(C#CC[NH3+])ccc1OC)C(C)C ZINC000049608896 521285284 /nfs/dbraw/zinc/28/52/84/521285284.db2.gz KPXLONWAPCPKKY-UHFFFAOYSA-N 2 0 260.381 2.236 10 30 CEEERP CC[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)C[C@@H]1CCCO1 ZINC000049609560 521298275 /nfs/dbraw/zinc/29/82/75/521298275.db2.gz MCHFAYNQLRFAJC-INIZCTEOSA-N 2 0 290.382 2.137 10 30 CEEERP C[N@H+](CCc1ccncc1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609397 522977772 /nfs/dbraw/zinc/97/77/72/522977772.db2.gz RABZCXZRMZTNAK-UHFFFAOYSA-N 2 0 279.387 2.066 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCCC[C@@H]1C ZINC000049608394 523513486 /nfs/dbraw/zinc/51/34/86/523513486.db2.gz NCMSXCYBOORNRU-AWEZNQCLSA-N 2 0 272.392 2.380 10 30 CEEERP C[C@H](C[C@@](C)(C#N)NC1CC1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616224 524628534 /nfs/dbraw/zinc/62/85/34/524628534.db2.gz MSVCGIFORKKAGT-PBHICJAKSA-N 2 0 292.471 2.073 10 30 CEEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@@](C)(CC)C1 ZINC000261788110 629231662 /nfs/dbraw/zinc/23/16/62/629231662.db2.gz PZYHLLFSJUBIFX-GOEBONIOSA-N 2 0 280.460 2.168 10 30 CEEERP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000262007280 629429193 /nfs/dbraw/zinc/42/91/93/629429193.db2.gz RYBQHBGPRLZWJS-LLVKDONJSA-N 2 0 296.802 2.169 10 30 CEEERP N#CC1(c2ccccc2)CC([NH2+]C2CCC([NH3+])CC2)C1 ZINC000086037950 179221570 /nfs/dbraw/zinc/22/15/70/179221570.db2.gz PVXWPWAPHLOHIV-UHFFFAOYSA-N 2 0 269.392 2.470 10 30 CEEERP CC(C)N[C@@](C)(C#N)CCCC[N@H+](C)CCC[NH+](C)C ZINC000111144241 186358860 /nfs/dbraw/zinc/35/88/60/186358860.db2.gz QIYHIJXDVNZFAL-MRXNPFEDSA-N 2 0 282.476 2.320 10 30 CEEERP C/C(=N\O)C(C)(C)[NH2+]CCCC[NH2+]C(C)(C)/C(C)=N/O ZINC000038818295 174155834 /nfs/dbraw/zinc/15/58/34/174155834.db2.gz HOZDZMALDHKOFZ-JYFOCSDGSA-N 2 0 286.420 2.203 10 30 in-man CEEERP CC[C@H](C)[N@H+](CCOC)Cc1cc(C#CC[NH3+])cs1 ZINC000043689105 175095755 /nfs/dbraw/zinc/09/57/55/175095755.db2.gz UJXZEYFAYFVDTN-ZDUSSCGKSA-N 2 0 280.437 2.305 10 30 CEEERP CCN[C@](C)(C#N)CCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315814 175358046 /nfs/dbraw/zinc/35/80/46/175358046.db2.gz GBFSRBLFRDRBND-KRWDZBQOSA-N 2 0 294.487 2.322 10 30 CEEERP C=CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000120440658 330387844 /nfs/dbraw/zinc/38/78/44/330387844.db2.gz GBLCLEDKEJKFRR-CVEARBPZSA-N 2 0 266.429 2.168 10 30 CEEERP C=CC[NH+](CC=C)C[C@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052376684 518771404 /nfs/dbraw/zinc/77/14/04/518771404.db2.gz AUJTVKHIMJGKHA-HUUCEWRRSA-N 2 0 252.402 2.206 10 30 CEEERP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000049554001 524474102 /nfs/dbraw/zinc/47/41/02/524474102.db2.gz YKBPIXIXEQXKJA-ZDUSSCGKSA-N 2 0 261.369 2.019 10 30 CEEERP C[C@@H](C#N)C[NH2+]CCCCCCC[NH2+]C[C@H](C)C#N ZINC000584651683 344973523 /nfs/dbraw/zinc/97/35/23/344973523.db2.gz CKYLEPHEOONYPN-GASCZTMLSA-N 2 0 264.417 2.435 10 30 CEEERP CC(C)N[C@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190784 176067755 /nfs/dbraw/zinc/06/77/55/176067755.db2.gz YTVVFOLQMOVPJS-IRXDYDNUSA-N 2 0 294.487 2.320 10 30 CEEERP CC(C)N[C@](C)(C#N)C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616268 519739109 /nfs/dbraw/zinc/73/91/09/519739109.db2.gz UITIBGYXJXQSIC-WBVHZDCISA-N 2 0 294.487 2.319 10 30 CEEERP CC[N@@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C[C@H]1CCCO1 ZINC000049609567 521312166 /nfs/dbraw/zinc/31/21/66/521312166.db2.gz HOCIFHOJNCEPKG-MRXNPFEDSA-N 2 0 290.382 2.137 10 30 CEEERP N#Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)cc1 ZINC000054602192 526618216 /nfs/dbraw/zinc/61/82/16/526618216.db2.gz FJYFIAKYUSRSMN-MQVJKMGUSA-N 2 0 255.365 2.402 10 30 CEEERP C=C(Cl)CNC(N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)=[NH+]CC ZINC000261662580 628972707 /nfs/dbraw/zinc/97/27/07/628972707.db2.gz AYIIFFGTXJPVGG-WCQYABFASA-N 2 0 286.851 2.023 10 30 CEEERP C[NH+]=C(NCC1(C2CC2)CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261972164 629406799 /nfs/dbraw/zinc/40/67/99/629406799.db2.gz NCDJIVXNINMXQQ-UKRRQHHQSA-N 2 0 292.471 2.070 10 30 CEEERP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087824927 179495054 /nfs/dbraw/zinc/49/50/54/179495054.db2.gz SZQQSXZKLAWCEF-UHFFFAOYSA-N 2 0 287.407 2.388 10 30 CEEERP COc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)cc1C#N ZINC000091844738 180269348 /nfs/dbraw/zinc/26/93/48/180269348.db2.gz NRYUKFJAUYNWLZ-UHFFFAOYSA-N 2 0 273.380 2.269 10 30 CEEERP C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000181559790 368470381 /nfs/dbraw/zinc/47/03/81/368470381.db2.gz IVJCGTUPVWYVBB-RHSMWYFYSA-N 2 0 287.407 2.056 10 30 CEEERP CC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049608831 522064833 /nfs/dbraw/zinc/06/48/33/522064833.db2.gz AVQIPXVXWPDXFG-CYBMUJFWSA-N 2 0 260.381 2.236 10 30 CEEERP C=CC[NH+](CC=C)CCOc1cccc(C[NH2+]C)c1 ZINC000052376529 518769121 /nfs/dbraw/zinc/76/91/21/518769121.db2.gz WYKPVIGVHSLIJN-UHFFFAOYSA-N 2 0 260.381 2.459 10 30 CEEERP CC[N@H+](Cc1ccncc1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609653 521420527 /nfs/dbraw/zinc/42/05/27/521420527.db2.gz SXXIEMJRSIQHMG-UHFFFAOYSA-N 2 0 279.387 2.414 10 30 CEEERP C[N@H+](Cc1cccnc1)Cc1ccccc1C#CC[NH3+] ZINC000049609283 523417193 /nfs/dbraw/zinc/41/71/93/523417193.db2.gz ZWTNDDJYTRITSO-UHFFFAOYSA-N 2 0 265.360 2.024 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[N@H+](C)[C@@H](C)C(C)C ZINC000049609228 523513402 /nfs/dbraw/zinc/51/34/02/523513402.db2.gz FQAOTHHVNOHWQU-AWEZNQCLSA-N 2 0 274.408 2.482 10 30 CEEERP C[C@@H]1CCC[N@H+](CCOc2cccc(C#CC[NH3+])c2)C1 ZINC000049608467 524230098 /nfs/dbraw/zinc/23/00/98/524230098.db2.gz JZLWJVDVTXPNPE-OAHLLOKOSA-N 2 0 272.392 2.108 10 30 CEEERP CCC1(CC)CCN(C(NC[C@H]2CCC[N@@H+]2C)=[NH+]C)C1 ZINC000261937261 629346305 /nfs/dbraw/zinc/34/63/05/629346305.db2.gz CRSJDGRAHWEKFS-CQSZACIVSA-N 2 0 280.460 2.168 10 30 CEEERP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C#N ZINC000600707382 346674446 /nfs/dbraw/zinc/67/44/46/346674446.db2.gz HHPRRDYHJGJYQT-NUEKZKHPSA-N 2 0 255.365 2.036 10 30 CEEERP C[C@@H]1C[NH+](Cc2ccc(F)cc2C#CC[NH3+])C[C@H]1C ZINC000092087009 180321383 /nfs/dbraw/zinc/32/13/83/180321383.db2.gz MKPGYGAFXZKGKO-CHWSQXEVSA-N 2 0 260.356 2.224 10 30 CEEERP CC1CC[NH+](CCOc2cccc(C#CC[NH3+])c2)CC1 ZINC000049608358 521017221 /nfs/dbraw/zinc/01/72/21/521017221.db2.gz LQVNQBZJVSCUNH-UHFFFAOYSA-N 2 0 272.392 2.108 10 30 CEEERP CC1CC[NH+](Cc2ccc(F)c(C#CC[NH3+])c2)CC1 ZINC000049608362 521026520 /nfs/dbraw/zinc/02/65/20/521026520.db2.gz LIQSSOLYHYIDOP-UHFFFAOYSA-N 2 0 260.356 2.368 10 30 CEEERP COc1ccc(C[N@H+](C)CCC(C)C)cc1C#CC[NH3+] ZINC000049609902 524002944 /nfs/dbraw/zinc/00/29/44/524002944.db2.gz LLDOZLXNVHAMKI-UHFFFAOYSA-N 2 0 274.408 2.483 10 30 CEEERP C[C@H]1CCC[N@H+](CCOc2cccc(C#CC[NH3+])c2)C1 ZINC000049608468 524092681 /nfs/dbraw/zinc/09/26/81/524092681.db2.gz JZLWJVDVTXPNPE-HNNXBMFYSA-N 2 0 272.392 2.108 10 30 CEEERP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C#CC[NH3+])C1 ZINC000049608626 524885791 /nfs/dbraw/zinc/88/57/91/524885791.db2.gz ZNSVOAPHHKXACA-GJZGRUSLSA-N 2 0 256.393 2.475 10 30 CEEERP C=CCOc1ccc(C[NH2+][C@@H]2CCN(CC)C2)cc1 ZINC000389140414 375298104 /nfs/dbraw/zinc/29/81/04/375298104.db2.gz GXHXVPVRURTDDG-OAHLLOKOSA-N 2 0 260.381 2.435 10 30 CEEERP CC[NH+](CCC#N)CCCC[N@@H+](CC)CCC#N ZINC000196818867 395469207 /nfs/dbraw/zinc/46/92/07/395469207.db2.gz HDVSPRXHSJNJKZ-UHFFFAOYSA-N 2 0 250.390 2.238 10 30 CEEERP CCCO[C@@H]1CCC[N@H+](Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043689067 175095655 /nfs/dbraw/zinc/09/56/55/175095655.db2.gz AAPZOHYYYQIENX-OAHLLOKOSA-N 2 0 292.448 2.449 10 30 CEEERP CC[NH+]=C(NC[C@H](C)[NH+]1CCC(C)CC1)N[C@@H]1C[C@H]1C ZINC000262685486 330026847 /nfs/dbraw/zinc/02/68/47/330026847.db2.gz AHPJYWSPIMOZOX-QLFBSQMISA-N 2 0 280.460 2.070 10 30 CEEERP CC(C)[C@@H](C)[N@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049609231 519791092 /nfs/dbraw/zinc/79/10/92/519791092.db2.gz OBINKDGOFCZURK-OAHLLOKOSA-N 2 0 274.408 2.352 10 30 CEEERP CC[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])C[C@H]1CCCO1 ZINC000049609565 521316144 /nfs/dbraw/zinc/31/61/44/521316144.db2.gz XAEXSBRKBHEXAM-QGZVFWFLSA-N 2 0 290.382 2.137 10 30 CEEERP CC[C@H](C)C[N@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609014 523868138 /nfs/dbraw/zinc/86/81/38/523868138.db2.gz YEPRSCCAWITLEM-HNNXBMFYSA-N 2 0 274.408 2.354 10 30 CEEERP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C#CC[NH3+])C1 ZINC000049608627 525209918 /nfs/dbraw/zinc/20/99/18/525209918.db2.gz ZNSVOAPHHKXACA-HUUCEWRRSA-N 2 0 256.393 2.475 10 30 CEEERP [NH3+]CC#Cc1cc(C[N@@H+]2CCCSCC2)ccc1F ZINC000049609945 527146494 /nfs/dbraw/zinc/14/64/94/527146494.db2.gz BYRPATLOZVTQDV-UHFFFAOYSA-N 2 0 278.396 2.075 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092086990 180321237 /nfs/dbraw/zinc/32/12/37/180321237.db2.gz JHAIOVWUDYWCEM-KBPBESRZSA-N 2 0 272.392 2.093 10 30 CEEERP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000110649059 186309653 /nfs/dbraw/zinc/30/96/53/186309653.db2.gz PPYPQCWAKQRINB-LLVKDONJSA-N 2 0 261.344 2.257 10 30 CEEERP CC(C)N[C@@](C)(C#N)CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315784 175358296 /nfs/dbraw/zinc/35/82/96/175358296.db2.gz LRNRCGFPUKMFCC-QGZVFWFLSA-N 2 0 294.487 2.320 10 30 CEEERP CC[N@@H+](Cc1cc(C#CC[NH3+])ccc1OC)CC(C)C ZINC000049608846 521286017 /nfs/dbraw/zinc/28/60/17/521286017.db2.gz RVKQPWDDUMTULR-UHFFFAOYSA-N 2 0 274.408 2.483 10 30 CEEERP COc1ccc(C[N@H+](C)CC(C)C)cc1C#CC[NH3+] ZINC000049608987 524002108 /nfs/dbraw/zinc/00/21/08/524002108.db2.gz PFODXNIMWIYYQE-UHFFFAOYSA-N 2 0 260.381 2.093 10 30 CEEERP C[C@@H]1CCCC[N@@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049608397 524113349 /nfs/dbraw/zinc/11/33/49/524113349.db2.gz TYAQFLFSIRMCSX-OAHLLOKOSA-N 2 0 272.392 2.250 10 30 CEEERP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C#CC[NH3+])cc2)C1 ZINC000049608630 525211243 /nfs/dbraw/zinc/21/12/43/525211243.db2.gz MAHGCDIPTYSMCJ-HUUCEWRRSA-N 2 0 256.393 2.475 10 30 CEEERP COCC[N@@H+](Cc1sccc1C#CC[NH3+])CC(C)C ZINC000043684067 175091640 /nfs/dbraw/zinc/09/16/40/175091640.db2.gz HZOQMWRSRZGZSL-UHFFFAOYSA-N 2 0 280.437 2.163 10 30 CEEERP CCC1CC[NH+](CCOc2cccc(C#CC[NH3+])c2)CC1 ZINC000049609928 519859312 /nfs/dbraw/zinc/85/93/12/519859312.db2.gz SVINCSAGVQHVJE-UHFFFAOYSA-N 2 0 286.419 2.498 10 30 CEEERP CC[C@@H](C)[N@H+](CC)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608933 522081600 /nfs/dbraw/zinc/08/16/00/522081600.db2.gz GZYOUUGOWQTFAZ-OAHLLOKOSA-N 2 0 274.408 2.496 10 30 CEEERP C[N@H+](Cc1ccco1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609122 523434350 /nfs/dbraw/zinc/43/43/50/523434350.db2.gz ZFIQGIFPMIVUCI-UHFFFAOYSA-N 2 0 254.333 2.222 10 30 CEEERP CC[C@H](C)C[N@H+](C)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609020 523868713 /nfs/dbraw/zinc/86/87/13/523868713.db2.gz YFWBOVMOFDEHRI-AWEZNQCLSA-N 2 0 274.408 2.483 10 30 CEEERP C[C@@H]1CCC[N@H+](CCOc2ccc(C#CC[NH3+])cc2)C1 ZINC000049608457 524229194 /nfs/dbraw/zinc/22/91/94/524229194.db2.gz CEOBNHRSPUBDBC-OAHLLOKOSA-N 2 0 272.392 2.108 10 30 CEEERP CCCNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000303902557 623293403 /nfs/dbraw/zinc/29/34/03/623293403.db2.gz XWWJATNSDOANND-MRXNPFEDSA-N 2 0 288.439 2.355 10 30 CEEERP CCCN[C@](C)(C#N)CCCC[N@H+](C)CCC[NH+](C)C ZINC000111144228 186359429 /nfs/dbraw/zinc/35/94/29/186359429.db2.gz NTQIEMWWDCEMBO-INIZCTEOSA-N 2 0 282.476 2.322 10 30 CEEERP C#CC[NH+]1CCC(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000040668871 174367324 /nfs/dbraw/zinc/36/73/24/174367324.db2.gz YIPVOWXFXTYLEZ-WMZOPIPTSA-N 2 0 291.483 2.184 10 30 CEEERP CC[N@H+](CCOc1cccc(C#CC[NH3+])c1)C(C)C ZINC000049608898 521149302 /nfs/dbraw/zinc/14/93/02/521149302.db2.gz FHZPIMDKRTVLRQ-UHFFFAOYSA-N 2 0 260.381 2.106 10 30 CEEERP C=CC[NH+](CC=C)C[C@@H]1CC[C@H](C[NH2+]CCC)O1 ZINC000052376680 518770235 /nfs/dbraw/zinc/77/02/35/518770235.db2.gz AEMHLEOCLLSVEY-CABCVRRESA-N 2 0 252.402 2.208 10 30 CEEERP CC[C@@H]1CCC[N@@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049608268 523267024 /nfs/dbraw/zinc/26/70/24/523267024.db2.gz FKSZPLHDLPMZFW-MRXNPFEDSA-N 2 0 272.392 2.250 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[NH+]1CCCCCC1 ZINC000049608480 523514695 /nfs/dbraw/zinc/51/46/95/523514695.db2.gz AXXCFMPMWRYWAQ-UHFFFAOYSA-N 2 0 272.392 2.381 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[NH+]1CCC(C)CC1 ZINC000049608356 523515067 /nfs/dbraw/zinc/51/50/67/523515067.db2.gz QKJIGXHPEUPEON-UHFFFAOYSA-N 2 0 272.392 2.237 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000049608631 523515120 /nfs/dbraw/zinc/51/51/20/523515120.db2.gz ZMULBDSTVQSMMN-GASCZTMLSA-N 2 0 286.419 2.483 10 30 CEEERP COc1ccc([C@H]2[C@H](C[NH3+])CCCC[N@@H+]2C)cc1C#N ZINC000087823130 179494507 /nfs/dbraw/zinc/49/45/07/179494507.db2.gz BTADOUDDHVOAQT-BBRMVZONSA-N 2 0 273.380 2.299 10 30 CEEERP CC[N@H+](Cc1cccnc1C#N)C1CCC([NH3+])CC1 ZINC000091851141 180272139 /nfs/dbraw/zinc/27/21/39/180272139.db2.gz JNYHFDIOWLIVMO-UHFFFAOYSA-N 2 0 258.369 2.045 10 30 CEEERP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262772347 330030553 /nfs/dbraw/zinc/03/05/53/330030553.db2.gz KEXGRPZGIFGJBD-SOUVJXGZSA-N 2 0 292.471 2.214 10 30 CEEERP CC[NH+]=C(NC1CCC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262810395 330033130 /nfs/dbraw/zinc/03/31/30/330033130.db2.gz UYFBSCJMRXRDBN-INIZCTEOSA-N 2 0 292.471 2.359 10 30 CEEERP CCC[N@H+](CC)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608863 521610244 /nfs/dbraw/zinc/61/02/44/521610244.db2.gz QYYHUWLGNUSQDL-UHFFFAOYSA-N 2 0 260.381 2.108 10 30 CEEERP CC[N@@H+](Cc1cc(C#CC[NH3+])ccc1OC)CC1CC1 ZINC000069238992 521287018 /nfs/dbraw/zinc/28/70/18/521287018.db2.gz MXDWUGQVRWVVID-UHFFFAOYSA-N 2 0 272.392 2.237 10 30 CEEERP CC[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049608267 523109560 /nfs/dbraw/zinc/10/95/60/523109560.db2.gz PFSPWTPTQMTODW-INIZCTEOSA-N 2 0 272.392 2.380 10 30 CEEERP C[C@@H](C1CC1)[N@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609213 524320206 /nfs/dbraw/zinc/32/02/06/524320206.db2.gz YEKYAESPXTUORB-LBPRGKRZSA-N 2 0 260.356 2.366 10 30 CEEERP C[N@H+](Cc1cc(F)ccc1C#N)C1CCC([NH3+])CC1 ZINC000091848038 180271285 /nfs/dbraw/zinc/27/12/85/180271285.db2.gz WRWYRNWZEJPQOF-UHFFFAOYSA-N 2 0 261.344 2.399 10 30 CEEERP C[N@H+](C[C@@H](C#N)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091848033 180271506 /nfs/dbraw/zinc/27/15/06/180271506.db2.gz YMLRKXHPOQIZDE-QQFBHYJXSA-N 2 0 257.381 2.495 10 30 CEEERP CC(C)N[C@](C)(C#N)CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045315780 175357742 /nfs/dbraw/zinc/35/77/42/175357742.db2.gz LRNRCGFPUKMFCC-KRWDZBQOSA-N 2 0 294.487 2.320 10 30 CEEERP C[C@@H](C[C@](C)(C#N)NC1CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612632 524860978 /nfs/dbraw/zinc/86/09/78/524860978.db2.gz NMFCAEKCIPPSMD-WMLDXEAASA-N 2 0 292.471 2.073 10 30 CEEERP CC[NH+]=C(NC[C@H]1CCC[N@@H+]1CC(C)C)N1CCCC1 ZINC000156567134 639360817 /nfs/dbraw/zinc/36/08/17/639360817.db2.gz JLXQVZCUGRAWTG-OAHLLOKOSA-N 2 0 280.460 2.168 10 30 CEEERP Cc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1C#N ZINC000600709035 346674877 /nfs/dbraw/zinc/67/48/77/346674877.db2.gz NSKNSTVLHNWSLJ-MRXNPFEDSA-N 2 0 257.381 2.441 10 30 CEEERP C=C(Br)C[N@H+](CC)CC1CC[NH2+]CC1 ZINC000086703196 179321392 /nfs/dbraw/zinc/32/13/92/179321392.db2.gz YRMSDCPRCHXCCB-UHFFFAOYSA-N 2 0 261.207 2.217 10 30 CEEERP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000160809809 264261755 /nfs/dbraw/zinc/26/17/55/264261755.db2.gz PVZKAGOIHCREMJ-ZDUSSCGKSA-N 2 0 268.449 2.200 10 30 CEEERP CN[C@](C)(C#N)C[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000068615413 522512264 /nfs/dbraw/zinc/51/22/64/522512264.db2.gz KRKWTOQLSFJSSY-WBVHZDCISA-N 2 0 292.471 2.074 10 30 CEEERP C=CCN(CC=C)C(=O)C[N@@H+](CCC)C1CCC([NH3+])CC1 ZINC000091852552 180273239 /nfs/dbraw/zinc/27/32/39/180273239.db2.gz HJXJXBYJUQDZDH-UHFFFAOYSA-N 2 0 293.455 2.169 10 30 CEEERP CC[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])CC1CC1 ZINC000069238984 521314498 /nfs/dbraw/zinc/31/44/98/521314498.db2.gz YVQNYFMGYUJRKX-UHFFFAOYSA-N 2 0 260.356 2.368 10 30 CEEERP C[NH+]=C(NCCC1=CCCCC1)NC[C@@H]1CCC[N@@H+]1C ZINC000114067406 526354258 /nfs/dbraw/zinc/35/42/58/526354258.db2.gz DRCAKOGSROAAJC-HNNXBMFYSA-N 2 0 278.444 2.136 10 30 CEEERP C[N+]1(CC#CC[N+]2(C)CCCCC2)CCCCC1 ZINC000204972898 717159299 /nfs/dbraw/zinc/15/92/99/717159299.db2.gz YDWKAEIKHYFYLV-UHFFFAOYSA-N 2 0 250.430 2.251 10 30 CEEERP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000572111798 299347089 /nfs/dbraw/zinc/34/70/89/299347089.db2.gz SPPIMRIIGNUSJD-FZMZJTMJSA-N 2 0 261.344 2.175 10 30 CEEERP CCOC1CC[NH+](Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683812 175091875 /nfs/dbraw/zinc/09/18/75/175091875.db2.gz FIHSHKFLKCNILD-UHFFFAOYSA-N 2 0 278.421 2.059 10 30 CEEERP CC[C@@H](C)[N@H+](CCOC)Cc1ccc(C#CC[NH3+])s1 ZINC000043684187 175093256 /nfs/dbraw/zinc/09/32/56/175093256.db2.gz OPZVQJDRISYVKN-CYBMUJFWSA-N 2 0 280.437 2.305 10 30 CEEERP CC(C)N[C@@](C)(C#N)C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616280 519735597 /nfs/dbraw/zinc/73/55/97/519735597.db2.gz UITIBGYXJXQSIC-DOTOQJQBSA-N 2 0 294.487 2.319 10 30 CEEERP CC[N@H+](Cc1ccnc(C#N)c1)C1CCC([NH3+])CC1 ZINC000091851082 180272419 /nfs/dbraw/zinc/27/24/19/180272419.db2.gz NRGOMVZKRPXYBL-UHFFFAOYSA-N 2 0 258.369 2.045 10 30 CEEERP CC[N@@H+](Cc1ccc(C#CC[NH3+])s1)C[C@@H]1CCCO1 ZINC000043683822 175091652 /nfs/dbraw/zinc/09/16/52/175091652.db2.gz WBSIIVMFOKJVPV-ZDUSSCGKSA-N 2 0 278.421 2.059 10 30 CEEERP CC[N@H+](Cc1cc(C#CC[NH3+])cs1)Cc1ccncc1 ZINC000043688978 175095700 /nfs/dbraw/zinc/09/57/00/175095700.db2.gz DSNXQWJGIINJKR-UHFFFAOYSA-N 2 0 285.416 2.475 10 30 CEEERP C=CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000120440815 330387953 /nfs/dbraw/zinc/38/79/53/330387953.db2.gz GBLCLEDKEJKFRR-HZPDHXFCSA-N 2 0 266.429 2.168 10 30 CEEERP CC(C)N[C@](C)(C#N)C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616274 519739380 /nfs/dbraw/zinc/73/93/80/519739380.db2.gz UITIBGYXJXQSIC-RDJZCZTQSA-N 2 0 294.487 2.319 10 30 CEEERP C[N@@H+](Cc1sccc1C#CC[NH3+])C[C@H]1CCCCO1 ZINC000043683815 175092311 /nfs/dbraw/zinc/09/23/11/175092311.db2.gz QVGZTRCXADWYSW-CQSZACIVSA-N 2 0 278.421 2.059 10 30 CEEERP CCC[N@@H+]1CCC[C@](C#N)(NCC[NH+](CC)CC)CC1 ZINC000086849281 179358592 /nfs/dbraw/zinc/35/85/92/179358592.db2.gz SJMYSCOJACVQJT-INIZCTEOSA-N 2 0 280.460 2.076 10 30 CEEERP [NH3+]CC#Cc1ccc(C[N@H+](CCO)C2CCCCC2)s1 ZINC000043684171 175092758 /nfs/dbraw/zinc/09/27/58/175092758.db2.gz LCQBEQKBTAJGPC-UHFFFAOYSA-N 2 0 292.448 2.185 10 30 CEEERP C[NH+]=C(NCC1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262741818 330029129 /nfs/dbraw/zinc/02/91/29/330029129.db2.gz DULRHBVTYGMHOU-HNNXBMFYSA-N 2 0 292.471 2.359 10 30 CEEERP CC[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)CC1CC1 ZINC000069238990 521298230 /nfs/dbraw/zinc/29/82/30/521298230.db2.gz LLXMPHUNAZOOMF-UHFFFAOYSA-N 2 0 260.356 2.368 10 30 CEEERP C[C@H]([NH3+])C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000110650817 186310806 /nfs/dbraw/zinc/31/08/06/186310806.db2.gz KFLOUDWRKVYUNE-NSHDSACASA-N 2 0 261.344 2.257 10 30 CEEERP C#C[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306717037 376553846 /nfs/dbraw/zinc/55/38/46/376553846.db2.gz GXVWJKXLSKDQIF-JQHSSLGASA-N 2 0 268.404 2.462 10 30 CEEERP C=C(C)C[N@@H+](CC)C[C@H]1CC[C@H](C[NH2+]CCC)O1 ZINC000052423540 518600645 /nfs/dbraw/zinc/60/06/45/518600645.db2.gz ZJARLQDHCGOTEJ-HUUCEWRRSA-N 2 0 254.418 2.432 10 30 CEEERP C=CC[NH+](CC=C)C[C@@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052376709 518770215 /nfs/dbraw/zinc/77/02/15/518770215.db2.gz XORGQDWDYQKOJB-CVEARBPZSA-N 2 0 266.429 2.454 10 30 CEEERP CC1CC[NH+](Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049608361 521026097 /nfs/dbraw/zinc/02/60/97/521026097.db2.gz XZGPCKQXSMZJGG-UHFFFAOYSA-N 2 0 260.356 2.368 10 30 CEEERP CC[C@H](C)C[N@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049609024 523867725 /nfs/dbraw/zinc/86/77/25/523867725.db2.gz PLYVLTRRJWGKRZ-HNNXBMFYSA-N 2 0 274.408 2.354 10 30 CEEERP CC[C@H](C)[N@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049608834 523923123 /nfs/dbraw/zinc/92/31/23/523923123.db2.gz BDQSUVFNUZGNRS-AWEZNQCLSA-N 2 0 260.381 2.106 10 30 CEEERP COc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#CC[NH3+] ZINC000049608634 524042209 /nfs/dbraw/zinc/04/22/09/524042209.db2.gz CIXYDANHDZLVIF-GASCZTMLSA-N 2 0 286.419 2.483 10 30 CEEERP C[NH+]=C(NCc1cccs1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261937290 629346562 /nfs/dbraw/zinc/34/65/62/629346562.db2.gz CSAMTBNRYZHZLH-GXTWGEPZSA-N 2 0 294.468 2.142 10 30 CEEERP C[N@H+](Cc1ccc(F)cc1C#N)C1CCC([NH3+])CC1 ZINC000091846417 180270255 /nfs/dbraw/zinc/27/02/55/180270255.db2.gz WKEUGGXJWAQDRG-UHFFFAOYSA-N 2 0 261.344 2.399 10 30 CEEERP COc1ccc(C#CC[NH3+])c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000092086993 180321120 /nfs/dbraw/zinc/32/11/20/180321120.db2.gz GGOJRPUBUCQFTG-KBPBESRZSA-N 2 0 272.392 2.093 10 30 CEEERP CC1(C)CC2(CC(C)(C)[NH2+]1)NC1=C(CCCC1=NO)[N+]2=O ZINC000057482280 280914040 /nfs/dbraw/zinc/91/40/40/280914040.db2.gz KUIFTWOPQGHNIB-YVLHZVERSA-N 2 0 292.383 2.043 10 30 CEEERP CC[NH+]=C(NCC1(C)CC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262396332 330012558 /nfs/dbraw/zinc/01/25/58/330012558.db2.gz MYXHZDFZCNBROS-CQSZACIVSA-N 2 0 292.471 2.359 10 30 CEEERP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CCC2(C1)CCCCC2 ZINC000262480638 330016667 /nfs/dbraw/zinc/01/66/67/330016667.db2.gz RIEFKGPEZAITJO-OAHLLOKOSA-N 2 0 292.471 2.312 10 30 CEEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N[C@@H]1C[C@H]1C ZINC000262834942 330034868 /nfs/dbraw/zinc/03/48/68/330034868.db2.gz SFADVLOCWXCTLL-QLFBSQMISA-N 2 0 280.460 2.070 10 30 CEEERP C[N@H+](CCc1ccccn1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049608776 522964695 /nfs/dbraw/zinc/96/46/95/522964695.db2.gz FLLXHHBUPVPIRL-UHFFFAOYSA-N 2 0 279.387 2.066 10 30 CEEERP C[N@@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C[C@@H]1CCCCO1 ZINC000049609534 523238509 /nfs/dbraw/zinc/23/85/09/523238509.db2.gz CUAABPJCAASFHL-INIZCTEOSA-N 2 0 290.382 2.137 10 30 CEEERP CC[C@H](C)[N@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608824 523923413 /nfs/dbraw/zinc/92/34/13/523923413.db2.gz RMALEIWJOQVUER-AWEZNQCLSA-N 2 0 260.381 2.106 10 30 CEEERP C[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#CC[NH3+])C1 ZINC000049608474 524097059 /nfs/dbraw/zinc/09/70/59/524097059.db2.gz OHBOMFCWHXMZFS-ZDUSSCGKSA-N 2 0 260.356 2.368 10 30 CEEERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000050566694 525639123 /nfs/dbraw/zinc/63/91/23/525639123.db2.gz UCUOLLNSCRATOG-JKSUJKDBSA-N 2 0 286.419 2.496 10 30 CEEERP C[NH+]=C(NC[C@@H]1CC=CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245614529 624956357 /nfs/dbraw/zinc/95/63/57/624956357.db2.gz MDFUXRUHCZFZIG-BZUAXINKSA-N 2 0 292.471 2.236 10 30 CEEERP COCC[NH2+]CC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000087607174 179453015 /nfs/dbraw/zinc/45/30/15/179453015.db2.gz KSOPMGVCTFUCOO-UHFFFAOYSA-N 2 0 281.444 2.264 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092086989 180321427 /nfs/dbraw/zinc/32/14/27/180321427.db2.gz JHAIOVWUDYWCEM-OKILXGFUSA-N 2 0 272.392 2.093 10 30 CEEERP C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000181560016 368470007 /nfs/dbraw/zinc/47/00/07/368470007.db2.gz XUBYKWGFRLFNPK-RHSMWYFYSA-N 2 0 287.407 2.056 10 30 CEEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@H](CC(C)C)C1 ZINC000262424804 330009521 /nfs/dbraw/zinc/00/95/21/330009521.db2.gz CIYYEIMEFIRPDP-CABCVRRESA-N 2 0 280.460 2.024 10 30 CEEERP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000120440372 330387913 /nfs/dbraw/zinc/38/79/13/330387913.db2.gz GBLCLEDKEJKFRR-HOTGVXAUSA-N 2 0 266.429 2.168 10 30 CEEERP CCC[NH2+]CC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000068760763 519912486 /nfs/dbraw/zinc/91/24/86/519912486.db2.gz USQVYMBYGDAWJZ-UHFFFAOYSA-N 2 0 272.396 2.165 10 30 CEEERP CCCN[C@](C)(C#N)C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616239 520103287 /nfs/dbraw/zinc/10/32/87/520103287.db2.gz YMQWVYMACXKFPB-WBVHZDCISA-N 2 0 294.487 2.320 10 30 CEEERP CCC[N@H+](CC)CCOc1cccc(C#CC[NH3+])c1 ZINC000049608868 521609841 /nfs/dbraw/zinc/60/98/41/521609841.db2.gz HFVFMFSHLPKVAV-UHFFFAOYSA-N 2 0 260.381 2.108 10 30 CEEERP C[N@H+](CCOc1cccc(C#CC[NH3+])c1)C1CCCC1 ZINC000049608928 522910783 /nfs/dbraw/zinc/91/07/83/522910783.db2.gz UKEZGHGVLORHIY-UHFFFAOYSA-N 2 0 272.392 2.250 10 30 CEEERP C[N@H+](CCc1ccncc1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609396 522976589 /nfs/dbraw/zinc/97/65/89/522976589.db2.gz CRHRHTGSNRRYQP-UHFFFAOYSA-N 2 0 279.387 2.066 10 30 CEEERP C[C@H]1C[NH+](Cc2ccc(C#CC[NH3+])cc2F)C[C@@H]1C ZINC000092086987 180321026 /nfs/dbraw/zinc/32/10/26/180321026.db2.gz GKTXKTUWHZIWDC-STQMWFEESA-N 2 0 260.356 2.224 10 30 CEEERP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1C#CC[NH3+] ZINC000092087001 180321523 /nfs/dbraw/zinc/32/15/23/180321523.db2.gz RUFJTFUVMRVBNI-OKILXGFUSA-N 2 0 272.392 2.093 10 30 CEEERP CC1(C)C[NH+](Cc2cc(C#CC[NH3+])cs2)CC(C)(C)O1 ZINC000226438933 540164761 /nfs/dbraw/zinc/16/47/61/540164761.db2.gz QHLTXIISBYAHSB-UHFFFAOYSA-N 2 0 292.448 2.448 10 30 CEEERP C[NH+](C)CC1CC[NH+](CCC[C@](C)(C#N)NC2CC2)CC1 ZINC000045315788 175357772 /nfs/dbraw/zinc/35/77/72/175357772.db2.gz OALWUIRSAUYWCR-QGZVFWFLSA-N 2 0 292.471 2.074 10 30 CEEERP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262772334 330030579 /nfs/dbraw/zinc/03/05/79/330030579.db2.gz KEXGRPZGIFGJBD-KKUMJFAQSA-N 2 0 292.471 2.214 10 30 CEEERP C=CC[NH+](CC=C)C[C@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000052376682 518771424 /nfs/dbraw/zinc/77/14/24/518771424.db2.gz AUJTVKHIMJGKHA-LSDHHAIUSA-N 2 0 252.402 2.206 10 30 CEEERP CC[N@H+](Cc1ccc(OC)c(C#CC[NH3+])c1)C(C)C ZINC000049608897 521323404 /nfs/dbraw/zinc/32/34/04/521323404.db2.gz BMCMCSOPBPMFEE-UHFFFAOYSA-N 2 0 260.381 2.236 10 30 CEEERP CC[N@H+](Cc1ccncc1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609654 521422686 /nfs/dbraw/zinc/42/26/86/521422686.db2.gz MBUFDAKMTPGSCN-UHFFFAOYSA-N 2 0 279.387 2.414 10 30 CEEERP CC[C@@H]1CCC[N@H+](CCOc2cccc(C#CC[NH3+])c2)C1 ZINC000049609267 523248619 /nfs/dbraw/zinc/24/86/19/523248619.db2.gz FPRNFIVQHYKGDA-MRXNPFEDSA-N 2 0 286.419 2.498 10 30 CEEERP CC[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049608266 523268605 /nfs/dbraw/zinc/26/86/05/523268605.db2.gz PFSPWTPTQMTODW-MRXNPFEDSA-N 2 0 272.392 2.380 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCCC[C@H]1C ZINC000049608393 523513660 /nfs/dbraw/zinc/51/36/60/523513660.db2.gz NCMSXCYBOORNRU-CQSZACIVSA-N 2 0 272.392 2.380 10 30 CEEERP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C#CC[NH3+])cc2)C1 ZINC000049608629 524883795 /nfs/dbraw/zinc/88/37/95/524883795.db2.gz MAHGCDIPTYSMCJ-GJZGRUSLSA-N 2 0 256.393 2.475 10 30 CEEERP C[N@@H+]1CC[C@@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037210 179221284 /nfs/dbraw/zinc/22/12/84/179221284.db2.gz LUHAHYVRPAJEIZ-OOHWJJMZSA-N 2 0 269.392 2.152 10 30 CEEERP CCC(CC)[N@H+](CCO)Cc1ccc(C#CC[NH3+])s1 ZINC000043684169 175092634 /nfs/dbraw/zinc/09/26/34/175092634.db2.gz ZMZSRBGFVJYIRR-UHFFFAOYSA-N 2 0 280.437 2.041 10 30 CEEERP CCC[C@H](C)[N@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609306 521033276 /nfs/dbraw/zinc/03/32/76/521033276.db2.gz WYRBCXUWSLIWRH-HNNXBMFYSA-N 2 0 274.408 2.496 10 30 CEEERP C[N@H+](Cc1ccncc1)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609304 523462061 /nfs/dbraw/zinc/46/20/61/523462061.db2.gz AYXRWWNQPPOQFA-UHFFFAOYSA-N 2 0 283.350 2.163 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000049608633 523513091 /nfs/dbraw/zinc/51/30/91/523513091.db2.gz ZMULBDSTVQSMMN-HUUCEWRRSA-N 2 0 286.419 2.483 10 30 CEEERP C[C@@H](C1CC1)[N@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609219 524320898 /nfs/dbraw/zinc/32/08/98/524320898.db2.gz GROGFHYMFQAQDL-LBPRGKRZSA-N 2 0 260.356 2.366 10 30 CEEERP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C#N ZINC000600707380 346674136 /nfs/dbraw/zinc/67/41/36/346674136.db2.gz HHPRRDYHJGJYQT-CWRNSKLLSA-N 2 0 255.365 2.036 10 30 CEEERP C[N@@H+]1CC[C@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037203 179221773 /nfs/dbraw/zinc/22/17/73/179221773.db2.gz LUHAHYVRPAJEIZ-ODIFPOPNSA-N 2 0 269.392 2.152 10 30 CEEERP C=C(C)CN(CC)C(=O)C[N@@H+](CCC)C1CCC([NH3+])CC1 ZINC000091852465 180272635 /nfs/dbraw/zinc/27/26/35/180272635.db2.gz JNRYCPMFCUOHLM-UHFFFAOYSA-N 2 0 295.471 2.393 10 30 CEEERP C#CC[NH+]1CCC(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000040668869 174367511 /nfs/dbraw/zinc/36/75/11/174367511.db2.gz YIPVOWXFXTYLEZ-AEFFLSMTSA-N 2 0 291.483 2.184 10 30 CEEERP CCCO[C@@H]1CCC[N@H+](Cc2sccc2C#CC[NH3+])C1 ZINC000043684101 175092440 /nfs/dbraw/zinc/09/24/40/175092440.db2.gz OTDIRLWMEOSUNK-OAHLLOKOSA-N 2 0 292.448 2.449 10 30 CEEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263269314 330051368 /nfs/dbraw/zinc/05/13/68/330051368.db2.gz OPSRHKUWHLWSLO-ZIAGYGMSSA-N 2 0 278.444 2.098 10 30 CEEERP CC[N@H+](CCOc1ccc(C#CC[NH3+])cc1)CC(C)C ZINC000049608843 521149433 /nfs/dbraw/zinc/14/94/33/521149433.db2.gz XMUBAOJPUFEFAT-UHFFFAOYSA-N 2 0 274.408 2.354 10 30 CEEERP C#C[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306717039 376553585 /nfs/dbraw/zinc/55/35/85/376553585.db2.gz GXVWJKXLSKDQIF-SZMVWBNQSA-N 2 0 268.404 2.462 10 30 CEEERP CC[C@H](C)[N@H+](CCOC)Cc1sccc1C#CC[NH3+] ZINC000043684190 175092942 /nfs/dbraw/zinc/09/29/42/175092942.db2.gz DCCNQANMNLHDBT-ZDUSSCGKSA-N 2 0 280.437 2.305 10 30 CEEERP CCO[C@H]1CCC[N@H+](Cc2sccc2C#CC[NH3+])C1 ZINC000043684110 175093166 /nfs/dbraw/zinc/09/31/66/175093166.db2.gz ZCBGHMCTHGFYBO-AWEZNQCLSA-N 2 0 278.421 2.059 10 30 CEEERP C=C(C)C[N@H+](CC)C[C@@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052423546 518600520 /nfs/dbraw/zinc/60/05/20/518600520.db2.gz FSXFQVAKVHXVCU-CABCVRRESA-N 2 0 254.418 2.430 10 30 CEEERP COc1ccc(C[NH+]2CCCCCC2)cc1C#CC[NH3+] ZINC000049608481 524025437 /nfs/dbraw/zinc/02/54/37/524025437.db2.gz MYZPGERBTOMBLA-UHFFFAOYSA-N 2 0 272.392 2.381 10 30 CEEERP CCC[N@H+](Cc1cccnc1C#N)C1CCC([NH3+])CC1 ZINC000091852623 180272679 /nfs/dbraw/zinc/27/26/79/180272679.db2.gz GVTPAUKIJUGWRU-UHFFFAOYSA-N 2 0 272.396 2.435 10 30 CEEERP C#C[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000306717038 376554026 /nfs/dbraw/zinc/55/40/26/376554026.db2.gz GXVWJKXLSKDQIF-RYQLBKOJSA-N 2 0 268.404 2.462 10 30 CEEERP C[N@H+](CCc1ccccn1)Cc1sccc1C#CC[NH3+] ZINC000043683580 175092356 /nfs/dbraw/zinc/09/23/56/175092356.db2.gz FTSATYYMHYIJRJ-UHFFFAOYSA-N 2 0 285.416 2.128 10 30 CEEERP COc1ccc(C[N@H+](C)CC(C)(C)C)cc1C#CC[NH3+] ZINC000045086734 175304508 /nfs/dbraw/zinc/30/45/08/175304508.db2.gz HBJFCDMBSVPRPL-UHFFFAOYSA-N 2 0 274.408 2.483 10 30 CEEERP CCCN[C@](C)(C#N)C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616245 520102508 /nfs/dbraw/zinc/10/25/08/520102508.db2.gz YMQWVYMACXKFPB-RDJZCZTQSA-N 2 0 294.487 2.320 10 30 CEEERP CCCN[C@@](C)(C#N)C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612653 520031351 /nfs/dbraw/zinc/03/13/51/520031351.db2.gz RSPOSUQXXXZYTK-DOTOQJQBSA-N 2 0 294.487 2.320 10 30 CEEERP CCC(CC)[N@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049609252 521542070 /nfs/dbraw/zinc/54/20/70/521542070.db2.gz URNZQTNCHXSBHF-UHFFFAOYSA-N 2 0 274.408 2.496 10 30 CEEERP C[C@@H](C1CC1)[N@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049609211 524320118 /nfs/dbraw/zinc/32/01/18/524320118.db2.gz VJXRYEYRDRTFNY-AWEZNQCLSA-N 2 0 272.392 2.106 10 30 CEEERP CC[C@@H](C)[N@H+](CCOC)Cc1cc(C#CC[NH3+])cs1 ZINC000043689104 175095617 /nfs/dbraw/zinc/09/56/17/175095617.db2.gz UJXZEYFAYFVDTN-CYBMUJFWSA-N 2 0 280.437 2.305 10 30 CEEERP CC[NH+]=C(NCC(C)(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000179199280 329206129 /nfs/dbraw/zinc/20/61/29/329206129.db2.gz FLUOCTWUPQLXCZ-UONOGXRCSA-N 2 0 282.476 2.316 10 30 CEEERP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)N[C@@H]1C[C@H]1C ZINC000262689741 330027392 /nfs/dbraw/zinc/02/73/92/330027392.db2.gz BZFOINNOYQUAOU-LJISPDSOSA-N 2 0 280.460 2.070 10 30 CEEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263269311 330051268 /nfs/dbraw/zinc/05/12/68/330051268.db2.gz OPSRHKUWHLWSLO-KBPBESRZSA-N 2 0 278.444 2.098 10 30 CEEERP CCCN[C@@](C)(C#N)C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616243 520031923 /nfs/dbraw/zinc/03/19/23/520031923.db2.gz YMQWVYMACXKFPB-NVXWUHKLSA-N 2 0 294.487 2.320 10 30 CEEERP CC[C@@H](C)C[N@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049609021 521970812 /nfs/dbraw/zinc/97/08/12/521970812.db2.gz ODFFNGYLRHBWFX-CQSZACIVSA-N 2 0 274.408 2.483 10 30 CEEERP C[N@H+](Cc1ccc(C#CC[NH3+])cc1)Cc1ccccn1 ZINC000049609242 523205080 /nfs/dbraw/zinc/20/50/80/523205080.db2.gz VKWNOQKCKVJTPY-UHFFFAOYSA-N 2 0 265.360 2.024 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[N@H+](C)CC(C)C ZINC000049608986 523513584 /nfs/dbraw/zinc/51/35/84/523513584.db2.gz QVEVAMJPPDZQLN-UHFFFAOYSA-N 2 0 260.381 2.093 10 30 CEEERP C[C@@H]1C[C@@H](C)C[NH+](CCOc2cccc(C#CC[NH3+])c2)C1 ZINC000049608639 525210131 /nfs/dbraw/zinc/21/01/31/525210131.db2.gz UPCZAGKAIPDVIO-HZPDHXFCSA-N 2 0 286.419 2.354 10 30 CEEERP C[C@@H]1C[NH+](Cc2ccc(F)c(C#CC[NH3+])c2)C[C@H]1C ZINC000092087006 180321281 /nfs/dbraw/zinc/32/12/81/180321281.db2.gz VMKHTXNOULCWCI-CHWSQXEVSA-N 2 0 260.356 2.224 10 30 CEEERP C[C@H]1CCC[N@H+](CCOc2ccc(C#CC[NH3+])cc2)CC1 ZINC000110808304 186325995 /nfs/dbraw/zinc/32/59/95/186325995.db2.gz FROKVWFTSYMMHV-INIZCTEOSA-N 2 0 286.419 2.498 10 30 CEEERP C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000181559961 368470088 /nfs/dbraw/zinc/47/00/88/368470088.db2.gz XUBYKWGFRLFNPK-YOEHRIQHSA-N 2 0 287.407 2.056 10 30 CEEERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000130838398 264368908 /nfs/dbraw/zinc/36/89/08/264368908.db2.gz BIAYMBSCSBAYIA-HUUCEWRRSA-N 2 0 280.460 2.153 10 30 CEEERP CC[NH+]=C(NCC(C)(C)[NH+]1CCCCC1)N[C@@H]1C[C@@H]1C ZINC000262225190 330002144 /nfs/dbraw/zinc/00/21/44/330002144.db2.gz MBWWYLHWHCHCGP-UONOGXRCSA-N 2 0 280.460 2.214 10 30 CEEERP CC[NH+]=C(N[C@H]1CC1(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000262288904 330004539 /nfs/dbraw/zinc/00/45/39/330004539.db2.gz YEHFWTHWUYJLJH-AWEZNQCLSA-N 2 0 280.460 2.213 10 30 CEEERP CC[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CCc2ccccc21 ZINC000263260679 330050857 /nfs/dbraw/zinc/05/08/57/330050857.db2.gz SLVHKULSAMHJGW-OAHLLOKOSA-N 2 0 286.423 2.109 10 30 CEEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCc2ccccc21 ZINC000263260678 330050949 /nfs/dbraw/zinc/05/09/49/330050949.db2.gz SLVHKULSAMHJGW-HNNXBMFYSA-N 2 0 286.423 2.109 10 30 CEEERP COc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1C#CC[NH3+] ZINC000049608396 524026840 /nfs/dbraw/zinc/02/68/40/524026840.db2.gz ASYKZXDZXUVAEK-AWEZNQCLSA-N 2 0 272.392 2.380 10 30 CEEERP C[C@H]1C[C@H](C)C[NH+](CCOc2cccc(C#CC[NH3+])c2)C1 ZINC000049608638 524886081 /nfs/dbraw/zinc/88/60/81/524886081.db2.gz UPCZAGKAIPDVIO-HOTGVXAUSA-N 2 0 286.419 2.354 10 30 CEEERP C[N+](C)(C)/C=N/CCCCCC/N=C\[N+](C)(C)C ZINC000105517140 717147663 /nfs/dbraw/zinc/14/76/63/717147663.db2.gz QKECCLZHBRFFTL-VCFJNTAESA-N 2 0 256.438 2.016 10 30 CEEERP C[NH2+]C1CCC([N@H+](C)CCOc2ccc(C#N)cc2)CC1 ZINC000091873120 180278142 /nfs/dbraw/zinc/27/81/42/180278142.db2.gz JSPDASRELMGERJ-UHFFFAOYSA-N 2 0 287.407 2.399 10 30 CEEERP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000110649056 186309483 /nfs/dbraw/zinc/30/94/83/186309483.db2.gz PPYPQCWAKQRINB-NSHDSACASA-N 2 0 261.344 2.257 10 30 CEEERP C[C@@H]([NH3+])C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000110649293 186309695 /nfs/dbraw/zinc/30/96/95/186309695.db2.gz HDZWWJJMMQBEOM-CYBMUJFWSA-N 2 0 282.391 2.370 10 30 CEEERP C=CCOc1ccc(C[NH2+][C@H]2CCN(CC)C2)cc1 ZINC000389140413 375298653 /nfs/dbraw/zinc/29/86/53/375298653.db2.gz GXHXVPVRURTDDG-HNNXBMFYSA-N 2 0 260.381 2.435 10 30 CEEERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000130838607 264369325 /nfs/dbraw/zinc/36/93/25/264369325.db2.gz BIAYMBSCSBAYIA-LSDHHAIUSA-N 2 0 280.460 2.153 10 30 CEEERP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N[C@@H]1C[C@H]1C ZINC000262765234 330030194 /nfs/dbraw/zinc/03/01/94/330030194.db2.gz GGWXNIIOKYCKQD-CBBWQLFWSA-N 2 0 280.460 2.213 10 30 CEEERP CC(C)N[C@@](C)(C#N)C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616270 519735868 /nfs/dbraw/zinc/73/58/68/519735868.db2.gz UITIBGYXJXQSIC-NVXWUHKLSA-N 2 0 294.487 2.319 10 30 CEEERP [NH3+]CC#Cc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000049608477 527151738 /nfs/dbraw/zinc/15/17/38/527151738.db2.gz SESRXJSWTIUEJL-UHFFFAOYSA-N 2 0 272.392 2.252 10 30 CEEERP C[NH+]=C(NCCC1=CCCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261935053 629345333 /nfs/dbraw/zinc/34/53/33/629345333.db2.gz CGCLBEVFKHNBER-GDBMZVCRSA-N 2 0 292.471 2.381 10 30 CEEERP COc1ccc(C#CC[NH3+])c(C[NH+]2C[C@@H](C)[C@H](C)C2)c1 ZINC000092086994 180321679 /nfs/dbraw/zinc/32/16/79/180321679.db2.gz GGOJRPUBUCQFTG-ZIAGYGMSSA-N 2 0 272.392 2.093 10 30 CEEERP C[C@H]1C[N@H+](Cc2ccc(F)cc2C#CC[NH3+])C[C@H]1C ZINC000092087007 180321787 /nfs/dbraw/zinc/32/17/87/180321787.db2.gz MKPGYGAFXZKGKO-BETUJISGSA-N 2 0 260.356 2.224 10 30 CEEERP C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000181559776 368470045 /nfs/dbraw/zinc/47/00/45/368470045.db2.gz IVJCGTUPVWYVBB-WMLDXEAASA-N 2 0 287.407 2.056 10 30 CEEERP CC[NH+]=C(NC1CCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262784728 330031265 /nfs/dbraw/zinc/03/12/65/330031265.db2.gz MAGXOQXTOIRMJC-AWEZNQCLSA-N 2 0 278.444 2.111 10 30 CEEERP CC[N@@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C[C@@H]1CCCO1 ZINC000049609566 521313040 /nfs/dbraw/zinc/31/30/40/521313040.db2.gz HOCIFHOJNCEPKG-INIZCTEOSA-N 2 0 290.382 2.137 10 30 CEEERP C[N@H+](CCOc1ccc(C#CC[NH3+])cc1)C1CCCC1 ZINC000049608923 522904121 /nfs/dbraw/zinc/90/41/21/522904121.db2.gz GWBORPJXNXNUKL-UHFFFAOYSA-N 2 0 272.392 2.250 10 30 CEEERP CC[C@H]1CCC[N@@H+]1Cc1cc(C#CC[NH3+])ccc1OC ZINC000049608265 523107152 /nfs/dbraw/zinc/10/71/52/523107152.db2.gz HSIJCLXYFGSUAI-INIZCTEOSA-N 2 0 272.392 2.380 10 30 CEEERP C[C@H]1CCC[N@H+](Cc2ccc(F)c(C#CC[NH3+])c2)C1 ZINC000049608476 524097470 /nfs/dbraw/zinc/09/74/70/524097470.db2.gz FHXCUPWRZDVFQC-ZDUSSCGKSA-N 2 0 260.356 2.368 10 30 CEEERP C[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#CC[NH3+])c2)C1 ZINC000049608475 524236537 /nfs/dbraw/zinc/23/65/37/524236537.db2.gz FHXCUPWRZDVFQC-CYBMUJFWSA-N 2 0 260.356 2.368 10 30 CEEERP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000262007283 629429116 /nfs/dbraw/zinc/42/91/16/629429116.db2.gz RYBQHBGPRLZWJS-NSHDSACASA-N 2 0 296.802 2.169 10 30 CEEERP C[C@H]1C[NH+](Cc2ccc(F)cc2C#CC[NH3+])C[C@@H]1C ZINC000092087008 180321417 /nfs/dbraw/zinc/32/14/17/180321417.db2.gz MKPGYGAFXZKGKO-STQMWFEESA-N 2 0 260.356 2.224 10 30 CEEERP COc1ccc(C#CC[NH3+])c(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000092086992 180321599 /nfs/dbraw/zinc/32/15/99/180321599.db2.gz GGOJRPUBUCQFTG-OKILXGFUSA-N 2 0 272.392 2.093 10 30 CEEERP CCCO[C@H]1CCC[N@H+](Cc2sccc2C#CC[NH3+])C1 ZINC000043684102 175092282 /nfs/dbraw/zinc/09/22/82/175092282.db2.gz OTDIRLWMEOSUNK-HNNXBMFYSA-N 2 0 292.448 2.449 10 30 CEEERP CCCO[C@H]1CCC[N@H+](Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043689069 175095347 /nfs/dbraw/zinc/09/53/47/175095347.db2.gz AAPZOHYYYQIENX-HNNXBMFYSA-N 2 0 292.448 2.449 10 30 CEEERP C=CC[NH+](CC=C)C[C@@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052376687 518770474 /nfs/dbraw/zinc/77/04/74/518770474.db2.gz AUJTVKHIMJGKHA-CABCVRRESA-N 2 0 252.402 2.206 10 30 CEEERP CC(C)N[C@@](C)(C#N)C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612679 519735495 /nfs/dbraw/zinc/73/54/95/519735495.db2.gz PFRWNLHHCSTKBZ-NVXWUHKLSA-N 2 0 294.487 2.319 10 30 CEEERP C[N@H+](CCc1ccccn1)Cc1cccc(C#CC[NH3+])c1 ZINC000049608777 522965220 /nfs/dbraw/zinc/96/52/20/522965220.db2.gz ZQNJHHHNWOJRSW-UHFFFAOYSA-N 2 0 279.387 2.066 10 30 CEEERP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000049554002 524166022 /nfs/dbraw/zinc/16/60/22/524166022.db2.gz YKBPIXIXEQXKJA-CYBMUJFWSA-N 2 0 261.369 2.019 10 30 CEEERP CC[NH+]=C(NCC1(C)CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261990099 629413512 /nfs/dbraw/zinc/41/35/12/629413512.db2.gz RCRLGIMCAQFGJV-UONOGXRCSA-N 2 0 280.460 2.070 10 30 CEEERP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000572111797 299346859 /nfs/dbraw/zinc/34/68/59/299346859.db2.gz SPPIMRIIGNUSJD-BXUZGUMPSA-N 2 0 261.344 2.175 10 30 CEEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@@H](CC(C)C)C1 ZINC000262424806 330009509 /nfs/dbraw/zinc/00/95/09/330009509.db2.gz CIYYEIMEFIRPDP-GJZGRUSLSA-N 2 0 280.460 2.024 10 30 CEEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263269313 330051406 /nfs/dbraw/zinc/05/14/06/330051406.db2.gz OPSRHKUWHLWSLO-UONOGXRCSA-N 2 0 278.444 2.098 10 30 CEEERP CC1CC[NH+](CCOc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049608353 521016184 /nfs/dbraw/zinc/01/61/84/521016184.db2.gz CNLPACDZUXWMHU-UHFFFAOYSA-N 2 0 272.392 2.108 10 30 CEEERP CC[N@@H+](Cc1ccc(OC)c(C#CC[NH3+])c1)CC(C)C ZINC000049608847 521322391 /nfs/dbraw/zinc/32/23/91/521322391.db2.gz ANDDGNPUPFBMQA-UHFFFAOYSA-N 2 0 274.408 2.483 10 30 CEEERP C[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])C[C@H]1CCCCO1 ZINC000049609533 523253703 /nfs/dbraw/zinc/25/37/03/523253703.db2.gz YHOUGSVCKXUZGZ-QGZVFWFLSA-N 2 0 290.382 2.137 10 30 CEEERP C[N@H+](Cc1ccncc1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609300 523461909 /nfs/dbraw/zinc/46/19/09/523461909.db2.gz RZAJRSDYCZNDIC-UHFFFAOYSA-N 2 0 265.360 2.024 10 30 CEEERP C[N@H+](CCOc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746831 174391864 /nfs/dbraw/zinc/39/18/64/174391864.db2.gz UKPFIRAMAOIMEQ-XYPWUTKMSA-N 2 0 285.391 2.152 10 30 CEEERP CCCN[C@@](C)(C#N)C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068616250 520032054 /nfs/dbraw/zinc/03/20/54/520032054.db2.gz YMQWVYMACXKFPB-DOTOQJQBSA-N 2 0 294.487 2.320 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[N@H+](C)C1CCCC1 ZINC000049608926 523514336 /nfs/dbraw/zinc/51/43/36/523514336.db2.gz XEAVJXOJDAUFED-UHFFFAOYSA-N 2 0 272.392 2.380 10 30 CEEERP COc1ccc(C[N@H+](C)C2CCCC2)cc1C#CC[NH3+] ZINC000049608927 524002342 /nfs/dbraw/zinc/00/23/42/524002342.db2.gz KXUCYUVAUAQXBJ-UHFFFAOYSA-N 2 0 272.392 2.380 10 30 CEEERP COc1ccc(C[N@H+](C)Cc2ccoc2)cc1C#CC[NH3+] ZINC000049609736 524005482 /nfs/dbraw/zinc/00/54/82/524005482.db2.gz XDSILFXFMQEYMZ-UHFFFAOYSA-N 2 0 284.359 2.230 10 30 CEEERP COc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C#CC[NH3+] ZINC000049608636 524041949 /nfs/dbraw/zinc/04/19/49/524041949.db2.gz CIXYDANHDZLVIF-HUUCEWRRSA-N 2 0 286.419 2.483 10 30 CEEERP C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(C#CC[NH3+])cc2)C1 ZINC000049608624 525211416 /nfs/dbraw/zinc/21/14/16/525211416.db2.gz KQBFGMMXNGTDSN-HZPDHXFCSA-N 2 0 286.419 2.354 10 30 CEEERP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000110650821 186311350 /nfs/dbraw/zinc/31/13/50/186311350.db2.gz KFLOUDWRKVYUNE-LLVKDONJSA-N 2 0 261.344 2.257 10 30 CEEERP CC[N@@H+](Cc1ccc(C#CC[NH3+])s1)C[C@H]1CCCO1 ZINC000043683824 175091609 /nfs/dbraw/zinc/09/16/09/175091609.db2.gz WBSIIVMFOKJVPV-CYBMUJFWSA-N 2 0 278.421 2.059 10 30 CEEERP [NH3+]CC#Cc1csc(C[N@H+](CCO)C2CCCCC2)c1 ZINC000043689096 175096064 /nfs/dbraw/zinc/09/60/64/175096064.db2.gz YIXOJQLNMXGEPW-UHFFFAOYSA-N 2 0 292.448 2.185 10 30 CEEERP CN[C@@](C)(C#N)CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062034669 522405717 /nfs/dbraw/zinc/40/57/17/522405717.db2.gz XMIXGOHHESFXEH-QGZVFWFLSA-N 2 0 292.471 2.076 10 30 CEEERP C[N@H+](Cc1ccc(F)cc1C#CC[NH3+])[C@@H]1CCSC1 ZINC000049609009 523252820 /nfs/dbraw/zinc/25/28/20/523252820.db2.gz QKCXKCARGSFLCI-OAHLLOKOSA-N 2 0 278.396 2.073 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCC[C@H](C)C1 ZINC000049608464 523513252 /nfs/dbraw/zinc/51/32/52/523513252.db2.gz JPVULOLDXYCPPU-AWEZNQCLSA-N 2 0 272.392 2.237 10 30 CEEERP CC[NH+]=C(NCC1(C)CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261990100 629414304 /nfs/dbraw/zinc/41/43/04/629414304.db2.gz RCRLGIMCAQFGJV-ZIAGYGMSSA-N 2 0 280.460 2.070 10 30 CEEERP CCO[C@@H]1CCC[N@H+](Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043689071 175095265 /nfs/dbraw/zinc/09/52/65/175095265.db2.gz HCKWPBSFCVPCBZ-CQSZACIVSA-N 2 0 278.421 2.059 10 30 CEEERP C=CC[NH+](CC=C)C[C@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052376706 518771571 /nfs/dbraw/zinc/77/15/71/518771571.db2.gz XORGQDWDYQKOJB-HZPDHXFCSA-N 2 0 266.429 2.454 10 30 CEEERP CCN[C@@](C)(C#N)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062034654 520128865 /nfs/dbraw/zinc/12/88/65/520128865.db2.gz YGFQBVSTSRFRLK-QGZVFWFLSA-N 2 0 292.471 2.076 10 30 CEEERP CC[N@H+](Cc1ccncc1)Cc1ccccc1C#CC[NH3+] ZINC000049609652 521422663 /nfs/dbraw/zinc/42/26/63/521422663.db2.gz SYSZVAUZLSZOCF-UHFFFAOYSA-N 2 0 279.387 2.414 10 30 CEEERP CCC[N@H+](CCOc1ccc(C#CC[NH3+])cc1)C(C)C ZINC000049608953 521669632 /nfs/dbraw/zinc/66/96/32/521669632.db2.gz JTGKZILHDJZOAK-UHFFFAOYSA-N 2 0 274.408 2.496 10 30 CEEERP CN[C@@](C)(C#N)C[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000068615417 522405508 /nfs/dbraw/zinc/40/55/08/522405508.db2.gz KRKWTOQLSFJSSY-DOTOQJQBSA-N 2 0 292.471 2.074 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[N@H+](C)[C@H](C)C1CC1 ZINC000049609208 523514915 /nfs/dbraw/zinc/51/49/15/523514915.db2.gz GJWGNYPVPXDRBW-CYBMUJFWSA-N 2 0 272.392 2.236 10 30 CEEERP COc1ccc(C[N@H+](C)[C@@H](C)C(C)C)cc1C#CC[NH3+] ZINC000049609230 524010277 /nfs/dbraw/zinc/01/02/77/524010277.db2.gz GJHAOIUBVSFIEZ-AWEZNQCLSA-N 2 0 274.408 2.482 10 30 CEEERP COc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C#CC[NH3+] ZINC000049608635 524040770 /nfs/dbraw/zinc/04/07/70/524040770.db2.gz CIXYDANHDZLVIF-GJZGRUSLSA-N 2 0 286.419 2.483 10 30 CEEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@](C)(CC)C1 ZINC000261788117 629231714 /nfs/dbraw/zinc/23/17/14/629231714.db2.gz PZYHLLFSJUBIFX-HOCLYGCPSA-N 2 0 280.460 2.168 10 30 CEEERP C=C(Br)C[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000086703841 179321512 /nfs/dbraw/zinc/32/15/12/179321512.db2.gz ODYFEQVTRWHGDI-UHFFFAOYSA-N 2 0 273.218 2.359 10 30 CEEERP CCC[N@@H+]1CCC[C@@](C#N)(NCC[NH+](CC)CC)CC1 ZINC000086849279 179357947 /nfs/dbraw/zinc/35/79/47/179357947.db2.gz SJMYSCOJACVQJT-MRXNPFEDSA-N 2 0 280.460 2.076 10 30 CEEERP C#CC[NH+]1CCC(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000040668867 174367638 /nfs/dbraw/zinc/36/76/38/174367638.db2.gz YIPVOWXFXTYLEZ-FUHWJXTLSA-N 2 0 291.483 2.184 10 30 CEEERP COCC[N@H+](Cc1cc(C#CC[NH3+])cs1)[C@@H](C)C1CC1 ZINC000043689118 175096188 /nfs/dbraw/zinc/09/61/88/175096188.db2.gz MIILDKXUGVAXSK-ZDUSSCGKSA-N 2 0 292.448 2.305 10 30 CEEERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCC(C)(C)C#N)CC1 ZINC000174849664 261199463 /nfs/dbraw/zinc/19/94/63/261199463.db2.gz SBPJPMNQAGWKSC-OAHLLOKOSA-N 2 0 295.471 2.341 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000049608632 523512367 /nfs/dbraw/zinc/51/23/67/523512367.db2.gz ZMULBDSTVQSMMN-GJZGRUSLSA-N 2 0 286.419 2.483 10 30 CEEERP COc1ccc(C[NH+]2CCC(C)CC2)cc1C#CC[NH3+] ZINC000049608357 524023496 /nfs/dbraw/zinc/02/34/96/524023496.db2.gz HNNIJNRFRUJNOG-UHFFFAOYSA-N 2 0 272.392 2.237 10 30 CEEERP C[C@@H]1CCCC[N@@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608387 524112739 /nfs/dbraw/zinc/11/27/39/524112739.db2.gz IKMDVOUASUDBHG-OAHLLOKOSA-N 2 0 272.392 2.250 10 30 CEEERP [NH3+]CC#Cc1cc(F)ccc1C[N@@H+]1CCCSCC1 ZINC000049609944 527146522 /nfs/dbraw/zinc/14/65/22/527146522.db2.gz MDUOZDBKTOWBBF-UHFFFAOYSA-N 2 0 278.396 2.075 10 30 CEEERP C[N+](C)(C)/C=N\CCCCCC/N=C\[N+](C)(C)C ZINC000105517136 717147781 /nfs/dbraw/zinc/14/77/81/717147781.db2.gz QKECCLZHBRFFTL-VMNXYWKNSA-N 2 0 256.438 2.016 10 30 CEEERP C[N@H+](CCc1ccncc1)Cc1cc(C#CC[NH3+])cs1 ZINC000043688944 175095216 /nfs/dbraw/zinc/09/52/16/175095216.db2.gz HHALPECYJNSGMG-UHFFFAOYSA-N 2 0 285.416 2.128 10 30 CEEERP CC[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262426234 330009686 /nfs/dbraw/zinc/00/96/86/330009686.db2.gz CSDRBUZULSSCEW-HUUCEWRRSA-N 2 0 292.471 2.311 10 30 CEEERP CC[C@H]1CCC[N@@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049608269 523107637 /nfs/dbraw/zinc/10/76/37/523107637.db2.gz FKSZPLHDLPMZFW-INIZCTEOSA-N 2 0 272.392 2.250 10 30 CEEERP CC[C@H](C)C[N@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049609022 523868565 /nfs/dbraw/zinc/86/85/65/523868565.db2.gz ODFFNGYLRHBWFX-AWEZNQCLSA-N 2 0 274.408 2.483 10 30 CEEERP C[C@H]1C[C@H](C)C[NH+](Cc2cccc(C#CC[NH3+])c2)C1 ZINC000049608644 524885992 /nfs/dbraw/zinc/88/59/92/524885992.db2.gz AGCPTCFBOJEGGF-GJZGRUSLSA-N 2 0 256.393 2.475 10 30 CEEERP C[C@H](C1CC1)[N@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609202 526203899 /nfs/dbraw/zinc/20/38/99/526203899.db2.gz SALBYANVLJHZAJ-CQSZACIVSA-N 2 0 272.392 2.106 10 30 CEEERP [NH3+]CC#Cc1ccc(C[N@@H+]2CCCSCC2)c(F)c1 ZINC000049609942 527148943 /nfs/dbraw/zinc/14/89/43/527148943.db2.gz OWMNGTIUQGKZOZ-UHFFFAOYSA-N 2 0 278.396 2.075 10 30 CEEERP CC[NH+]=C(NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)N[C@@H]1C[C@@H]1C ZINC000083900354 625093958 /nfs/dbraw/zinc/09/39/58/625093958.db2.gz BZFOINNOYQUAOU-ZQDZILKHSA-N 2 0 280.460 2.070 10 30 CEEERP CC[NH+](CC)CCN[C@]1(C#N)CCC[N@@H+](C(C)C)CC1 ZINC000086849271 179357888 /nfs/dbraw/zinc/35/78/88/179357888.db2.gz OSYGUHLENXZVOQ-MRXNPFEDSA-N 2 0 280.460 2.074 10 30 CEEERP C[NH+](C)CCC[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000111137153 186357832 /nfs/dbraw/zinc/35/78/32/186357832.db2.gz MEVYJGGHUKTKNN-UHFFFAOYSA-N 2 0 275.396 2.211 10 30 CEEERP COCC[N@@H+](Cc1cc(C#CC[NH3+])cs1)CC(C)C ZINC000043689045 175095798 /nfs/dbraw/zinc/09/57/98/175095798.db2.gz VIPVHYFKIVEDBS-UHFFFAOYSA-N 2 0 280.437 2.163 10 30 CEEERP C[C@H]1C[NH+](Cc2ccccc2C#CC[NH3+])C[C@H](C)S1 ZINC000070384879 175904080 /nfs/dbraw/zinc/90/40/80/175904080.db2.gz UJXVZIHFSLISMG-KBPBESRZSA-N 2 0 274.433 2.323 10 30 CEEERP CCOC1CC[NH+](Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049609447 521657198 /nfs/dbraw/zinc/65/71/98/521657198.db2.gz YTUXWFZJAKHEBZ-UHFFFAOYSA-N 2 0 290.382 2.137 10 30 CEEERP COc1ccc(C[N@H+](C)[C@H](C)C2CC2)cc1C#CC[NH3+] ZINC000049609210 524009480 /nfs/dbraw/zinc/00/94/80/524009480.db2.gz HSLUUFVGKSGSNW-CYBMUJFWSA-N 2 0 272.392 2.236 10 30 CEEERP C[C@H](C[C@](C)(C#N)NC1CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068612637 524654688 /nfs/dbraw/zinc/65/46/88/524654688.db2.gz NMFCAEKCIPPSMD-RHSMWYFYSA-N 2 0 292.471 2.073 10 30 CEEERP CCC(CC)[N@H+](CCO)Cc1sccc1C#CC[NH3+] ZINC000043684170 175092625 /nfs/dbraw/zinc/09/26/25/175092625.db2.gz AOGHKBZUKNWTBM-UHFFFAOYSA-N 2 0 280.437 2.041 10 30 CEEERP CC[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262426237 330009739 /nfs/dbraw/zinc/00/97/39/330009739.db2.gz CSDRBUZULSSCEW-LSDHHAIUSA-N 2 0 292.471 2.311 10 30 CEEERP C=CC[NH+](CC=C)C[C@H]1CC[C@@H](C[NH2+]CCC)O1 ZINC000052376674 518770545 /nfs/dbraw/zinc/77/05/45/518770545.db2.gz AEMHLEOCLLSVEY-LSDHHAIUSA-N 2 0 252.402 2.208 10 30 CEEERP CC(C)CC[N@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049609903 519650907 /nfs/dbraw/zinc/65/09/07/519650907.db2.gz BYOAUHJYMBCFHX-UHFFFAOYSA-N 2 0 274.408 2.354 10 30 CEEERP COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000049608463 523513277 /nfs/dbraw/zinc/51/32/77/523513277.db2.gz JPVULOLDXYCPPU-CQSZACIVSA-N 2 0 272.392 2.237 10 30 CEEERP CCCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000303902555 623293449 /nfs/dbraw/zinc/29/34/49/623293449.db2.gz XWWJATNSDOANND-INIZCTEOSA-N 2 0 288.439 2.355 10 30 CEEERP Cc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1C#N ZINC000600709034 346674977 /nfs/dbraw/zinc/67/49/77/346674977.db2.gz NSKNSTVLHNWSLJ-INIZCTEOSA-N 2 0 257.381 2.441 10 30 CEEERP C=C(C)C[N@H+](CC)C[C@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052423548 518598794 /nfs/dbraw/zinc/59/87/94/518598794.db2.gz FSXFQVAKVHXVCU-HUUCEWRRSA-N 2 0 254.418 2.430 10 30 CEEERP C[C@H]1CCC[N@H+](CCOc2ccc(C#CC[NH3+])cc2)C1 ZINC000049608458 524090644 /nfs/dbraw/zinc/09/06/44/524090644.db2.gz CEOBNHRSPUBDBC-HNNXBMFYSA-N 2 0 272.392 2.108 10 30 CEEERP C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(C#CC[NH3+])cc2)C1 ZINC000049608622 525383176 /nfs/dbraw/zinc/38/31/76/525383176.db2.gz KQBFGMMXNGTDSN-IYBDPMFKSA-N 2 0 286.419 2.354 10 30 CEEERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C#CC[NH3+])cc2)C1 ZINC000049608628 525385882 /nfs/dbraw/zinc/38/58/82/525385882.db2.gz MAHGCDIPTYSMCJ-GASCZTMLSA-N 2 0 256.393 2.475 10 30 CEEERP CCOC1CC[NH+](Cc2sccc2C#CC[NH3+])CC1 ZINC000043683813 175091612 /nfs/dbraw/zinc/09/16/12/175091612.db2.gz VWKDHIAYRPYEQY-UHFFFAOYSA-N 2 0 278.421 2.059 10 30 CEEERP CC(C)[N@H+](C)CCCC[NH2+]Cc1ccnc(C#N)c1 ZINC000068754686 519617879 /nfs/dbraw/zinc/61/78/79/519617879.db2.gz SZOHVSKEKOEBDN-UHFFFAOYSA-N 2 0 260.385 2.163 10 30 CEEERP C=CC[NH+](CC=C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052376539 518769037 /nfs/dbraw/zinc/76/90/37/518769037.db2.gz KMQYJXGXGKNRSE-UHFFFAOYSA-N 2 0 260.381 2.459 10 30 CEEERP C=CC[NH+](CC=C)C[C@@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000052376686 518771247 /nfs/dbraw/zinc/77/12/47/518771247.db2.gz AUJTVKHIMJGKHA-GJZGRUSLSA-N 2 0 252.402 2.206 10 30 CEEERP CC(C)[N@H+](C)CCCC[NH2+]Cc1cccnc1C#N ZINC000061658693 519617498 /nfs/dbraw/zinc/61/74/98/519617498.db2.gz SESFWHLWSLYSBK-UHFFFAOYSA-N 2 0 260.385 2.163 10 30 CEEERP CC[C@@H]1CCC[N@@H+]1Cc1cc(C#CC[NH3+])ccc1OC ZINC000049608264 523269038 /nfs/dbraw/zinc/26/90/38/523269038.db2.gz HSIJCLXYFGSUAI-MRXNPFEDSA-N 2 0 272.392 2.380 10 30 CEEERP C[N@H+](Cc1cccnc1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609286 523418243 /nfs/dbraw/zinc/41/82/43/523418243.db2.gz QACFAPNFHICOSE-UHFFFAOYSA-N 2 0 265.360 2.024 10 30 CEEERP C[C@@H]1CCC[N@H+](CCOc2ccc(C#CC[NH3+])cc2)[C@@H]1C ZINC000050566675 524230702 /nfs/dbraw/zinc/23/07/02/524230702.db2.gz ZWPOFCHMSXYKTH-HZPDHXFCSA-N 2 0 286.419 2.496 10 30 CEEERP CCC1(CC)CCN(C(NC[C@@H]2CCC[N@@H+]2C)=[NH+]C)C1 ZINC000261937259 629346321 /nfs/dbraw/zinc/34/63/21/629346321.db2.gz CRSJDGRAHWEKFS-AWEZNQCLSA-N 2 0 280.460 2.168 10 30 CEEERP CCOC1CC[NH+](Cc2ccc(C#CC[NH3+])cc2F)CC1 ZINC000049609443 521656881 /nfs/dbraw/zinc/65/68/81/521656881.db2.gz AJIZJFOHAMZPNC-UHFFFAOYSA-N 2 0 290.382 2.137 10 30 CEEERP C[C@H]1CCCC[N@@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049608398 526250411 /nfs/dbraw/zinc/25/04/11/526250411.db2.gz TYAQFLFSIRMCSX-HNNXBMFYSA-N 2 0 272.392 2.250 10 30 CEEERP