smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556233741 1084634667 /nfs/dbraw/zinc/63/46/67/1084634667.db2.gz QJZFRMYOQNLWDY-GOTSBHOMSA-N 2 0 368.565 4.250 20 30 FIEDRP CCC(CC)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+]1CCCC1 ZINC000514088761 1088731270 /nfs/dbraw/zinc/73/12/70/1088731270.db2.gz MMYJOXUZLUHGMU-QHCPKHFHSA-N 2 0 368.569 4.017 20 30 FIEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000236658848 1089740940 /nfs/dbraw/zinc/74/09/40/1089740940.db2.gz FRNVURHOZMWJFU-GOSISDBHSA-N 2 0 351.494 4.107 20 30 FIEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000236666250 1089978484 /nfs/dbraw/zinc/97/84/84/1089978484.db2.gz AIFPHDIIJDAPKM-GOSISDBHSA-N 2 0 351.494 4.107 20 30 FIEDRP C#CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000236686678 1090553746 /nfs/dbraw/zinc/55/37/46/1090553746.db2.gz GLBPBNAREURNRY-CWAQXLGLSA-N 2 0 374.528 4.374 20 30 FIEDRP C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000417373259 1090844096 /nfs/dbraw/zinc/84/40/96/1090844096.db2.gz XBVOIRXHMCYGKD-SBUREZEXSA-N 2 0 363.505 4.227 20 30 FIEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)s1 ZINC000421869435 1095980680 /nfs/dbraw/zinc/98/06/80/1095980680.db2.gz DTATXJXFZPIOLK-HBMCJLEFSA-N 2 0 351.519 4.153 20 30 FIEDRP N#CCCC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423124388 1096578782 /nfs/dbraw/zinc/57/87/82/1096578782.db2.gz GLATVSAUHABTTL-FUDKSRODSA-N 2 0 361.489 4.267 20 30 FIEDRP CC[NH+](CC)CC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426992187 1103147829 /nfs/dbraw/zinc/14/78/29/1103147829.db2.gz QFVRDSDCVCGUAZ-UHFFFAOYSA-N 2 0 352.444 4.111 20 30 FIEDRP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)ccc1C#N ZINC000440831710 1108940650 /nfs/dbraw/zinc/94/06/50/1108940650.db2.gz NLTUJDZXGKWNJJ-GOSISDBHSA-N 2 0 363.505 4.231 20 30 FIEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449131940 1109982350 /nfs/dbraw/zinc/98/23/50/1109982350.db2.gz QMGSMAAJCDOBAQ-QXAHSBQVSA-N 2 0 372.532 4.091 20 30 FIEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000596093708 1115574534 /nfs/dbraw/zinc/57/45/34/1115574534.db2.gz DYZDFVAUTMQTOI-RDABAPPSSA-N 2 0 351.538 4.102 20 30 FIEDRP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1C#N ZINC000174270618 1116125379 /nfs/dbraw/zinc/12/53/79/1116125379.db2.gz LXSULPDZNXMSIW-GOSISDBHSA-N 2 0 363.505 4.231 20 30 FIEDRP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)cc1C#N ZINC000174384615 1116134100 /nfs/dbraw/zinc/13/41/00/1116134100.db2.gz MPMUTNCUZUHMFR-UHFFFAOYSA-N 2 0 363.505 4.233 20 30 FIEDRP C[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000135264249 1123731052 /nfs/dbraw/zinc/73/10/52/1123731052.db2.gz VNYRDTKTTFUTCT-OAQYLSRUSA-N 2 0 361.533 4.442 20 30 FIEDRP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000237598556 1123994413 /nfs/dbraw/zinc/99/44/13/1123994413.db2.gz NZNGUGZVLYJREJ-LJQANCHMSA-N 2 0 363.505 4.253 20 30 FIEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000180791225 1124430605 /nfs/dbraw/zinc/43/06/05/1124430605.db2.gz AHLWVIBVGBZQCG-LJQANCHMSA-N 2 0 357.542 4.311 20 30 FIEDRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181576592 1125031596 /nfs/dbraw/zinc/03/15/96/1125031596.db2.gz UCFMDUUTMRKOCP-LJQANCHMSA-N 2 0 363.505 4.152 20 30 FIEDRP COc1cc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)ccc1C#N ZINC000569892460 568433959 /nfs/dbraw/zinc/43/39/59/568433959.db2.gz NLUGRMINHSDHOI-UHFFFAOYSA-N 2 0 363.505 4.100 20 30 FIEDRP C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619755085 1125680759 /nfs/dbraw/zinc/68/07/59/1125680759.db2.gz SQSIGQZOWQFTFN-OXQOHEQNSA-N 2 0 353.897 4.212 20 30 FIEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755368 1125680778 /nfs/dbraw/zinc/68/07/78/1125680778.db2.gz FZNPDCBFSRJXJP-IERDGZPVSA-N 2 0 353.897 4.212 20 30 FIEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755367 1125680913 /nfs/dbraw/zinc/68/09/13/1125680913.db2.gz FZNPDCBFSRJXJP-HRAATJIYSA-N 2 0 353.897 4.212 20 30 FIEDRP C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619755083 1125681090 /nfs/dbraw/zinc/68/10/90/1125681090.db2.gz SQSIGQZOWQFTFN-JXFKEZNVSA-N 2 0 353.897 4.212 20 30 FIEDRP C=CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccco1 ZINC000276389715 1082708390 /nfs/dbraw/zinc/70/83/90/1082708390.db2.gz BLEZGWQLKNFBGN-OAQYLSRUSA-N 2 0 354.494 4.033 20 30 FIEDRP C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000417373257 1090843539 /nfs/dbraw/zinc/84/35/39/1090843539.db2.gz XBVOIRXHMCYGKD-GAJHUEQPSA-N 2 0 363.505 4.227 20 30 FIEDRP C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000512288147 1092015968 /nfs/dbraw/zinc/01/59/68/1092015968.db2.gz MHQWMUDMFHHUMJ-FUHIMQAGSA-N 2 0 351.469 4.259 20 30 FIEDRP Cc1ccccc1CN1CCC([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000237591239 1092513428 /nfs/dbraw/zinc/51/34/28/1092513428.db2.gz AFKMVBDXZLMLMS-LJQANCHMSA-N 2 0 363.505 4.040 20 30 FIEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000246840441 1093094241 /nfs/dbraw/zinc/09/42/41/1093094241.db2.gz BQXLDSCKVBPLLP-QFBILLFUSA-N 2 0 356.539 4.175 20 30 FIEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)c(F)c1 ZINC000532987336 1098655475 /nfs/dbraw/zinc/65/54/75/1098655475.db2.gz XEJJPLUHSWNYEX-UHFFFAOYSA-N 2 0 371.887 4.353 20 30 FIEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437145090 1099655177 /nfs/dbraw/zinc/65/51/77/1099655177.db2.gz TURGEYCVJCFBPK-UHFFFAOYSA-N 2 0 365.468 4.104 20 30 FIEDRP C=CCC[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1ccco1 ZINC000476013854 1100018014 /nfs/dbraw/zinc/01/80/14/1100018014.db2.gz UKVJXCHJUHEGHO-NQIIRXRSSA-N 2 0 354.494 4.297 20 30 FIEDRP CC[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000447563431 1109583332 /nfs/dbraw/zinc/58/33/32/1109583332.db2.gz PUTPUIBFAPMYRH-JOCHJYFZSA-N 2 0 351.494 4.130 20 30 FIEDRP CC[N@H+](CCCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000555417774 1112832463 /nfs/dbraw/zinc/83/24/63/1112832463.db2.gz LIDQEOLIHCYTJP-CIAFKFPVSA-N 2 0 356.558 4.185 20 30 FIEDRP C=CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311954040 1119396144 /nfs/dbraw/zinc/39/61/44/1119396144.db2.gz MDDWEJDNYWHUEF-UGKGYDQZSA-N 2 0 350.506 4.252 20 30 FIEDRP C=CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311954034 1119396363 /nfs/dbraw/zinc/39/63/63/1119396363.db2.gz MDDWEJDNYWHUEF-DENIHFKCSA-N 2 0 350.506 4.252 20 30 FIEDRP N#Cc1cccc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000237877583 1124151874 /nfs/dbraw/zinc/15/18/74/1124151874.db2.gz BHGCPPRETHCEDS-UHFFFAOYSA-N 2 0 353.897 4.213 20 30 FIEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000181518158 1124993095 /nfs/dbraw/zinc/99/30/95/1124993095.db2.gz GALGWXHDKHZXDL-SFHVURJKSA-N 2 0 351.494 4.130 20 30 FIEDRP C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619755084 1125681219 /nfs/dbraw/zinc/68/12/19/1125681219.db2.gz SQSIGQZOWQFTFN-OXJNMPFZSA-N 2 0 353.897 4.212 20 30 FIEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755369 1125681288 /nfs/dbraw/zinc/68/12/88/1125681288.db2.gz FZNPDCBFSRJXJP-IIBYNOLFSA-N 2 0 353.897 4.212 20 30 FIEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)C1 ZINC000177685969 1081531249 /nfs/dbraw/zinc/53/12/49/1081531249.db2.gz IVTUNDPWEKVSDS-IAGOWNOFSA-N 2 0 353.535 4.387 20 30 FIEDRP N#Cc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1F ZINC000380734951 1084161077 /nfs/dbraw/zinc/16/10/77/1084161077.db2.gz LFQGODDSNCZHNI-UHFFFAOYSA-N 2 0 363.480 4.185 20 30 FIEDRP C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512288142 1092015153 /nfs/dbraw/zinc/01/51/53/1092015153.db2.gz MHQWMUDMFHHUMJ-ABSDTBQOSA-N 2 0 351.469 4.259 20 30 FIEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000178583705 1092095732 /nfs/dbraw/zinc/09/57/32/1092095732.db2.gz BQXLDSCKVBPLLP-APWZRJJASA-N 2 0 356.539 4.175 20 30 FIEDRP N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000442864129 1092808840 /nfs/dbraw/zinc/80/88/40/1092808840.db2.gz BUEILFAPDGVHGA-DXEGLPQDSA-N 2 0 351.538 4.207 20 30 FIEDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000236920462 1092954248 /nfs/dbraw/zinc/95/42/48/1092954248.db2.gz GHIMKOTVYSVXJM-GOSISDBHSA-N 2 0 351.494 4.109 20 30 FIEDRP C=CCOc1ccccc1CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388855712 1092985025 /nfs/dbraw/zinc/98/50/25/1092985025.db2.gz BOISHJDPQYXWMH-DENIHFKCSA-N 2 0 350.506 4.252 20 30 FIEDRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000513499196 1094173145 /nfs/dbraw/zinc/17/31/45/1094173145.db2.gz DWXHYZNJOJIAIC-FXAWDEMLSA-N 2 0 351.469 4.088 20 30 FIEDRP C[C@H](NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000329699646 1095150885 /nfs/dbraw/zinc/15/08/85/1095150885.db2.gz GFNUZWMEGQNVLK-LPHOPBHVSA-N 2 0 370.541 4.100 20 30 FIEDRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000423469850 1096693154 /nfs/dbraw/zinc/69/31/54/1096693154.db2.gz KXLORMKLLJGIHV-KSEOMHKRSA-N 2 0 351.469 4.131 20 30 FIEDRP C=CC[N@H+](Cc1cccs1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506021022 1099787401 /nfs/dbraw/zinc/78/74/01/1099787401.db2.gz GNWVAWNJTSPFRY-UHFFFAOYSA-N 2 0 369.578 4.467 20 30 FIEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000517442494 1100383564 /nfs/dbraw/zinc/38/35/64/1100383564.db2.gz WFUUVVJZIJNQQT-UHFFFAOYSA-N 2 0 361.411 4.319 20 30 FIEDRP Cc1cccc(NC(=[NH2+])NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000303885295 1107782712 /nfs/dbraw/zinc/78/27/12/1107782712.db2.gz JQVVFAXLIYUZOE-GOSISDBHSA-N 2 0 350.510 4.154 20 30 FIEDRP N#CC1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453209385 1108280166 /nfs/dbraw/zinc/28/01/66/1108280166.db2.gz IEVATKAVPZCQGQ-XJDRTWLVSA-N 2 0 351.538 4.349 20 30 FIEDRP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)ccc1C#N ZINC000440825249 1108937224 /nfs/dbraw/zinc/93/72/24/1108937224.db2.gz QFCGLPAHFLDIMJ-UHFFFAOYSA-N 2 0 363.505 4.233 20 30 FIEDRP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000440830998 1108939905 /nfs/dbraw/zinc/93/99/05/1108939905.db2.gz LNSKVZFFDFLPAK-GOSISDBHSA-N 2 0 363.505 4.089 20 30 FIEDRP CC1(C#N)CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000590649140 1114959006 /nfs/dbraw/zinc/95/90/06/1114959006.db2.gz YXPBVIDTOFDORQ-UDFFUHSHSA-N 2 0 351.538 4.349 20 30 FIEDRP Cc1ccc2cc(C[NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)ccc2n1 ZINC000593693312 1115798174 /nfs/dbraw/zinc/79/81/74/1115798174.db2.gz UEXBIUNLLIRWBZ-UHFFFAOYSA-N 2 0 370.500 4.169 20 30 FIEDRP C[C@@H]1C[C@@H]1C[N@H+](CCCC[NH+](C)[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000599611338 1115831634 /nfs/dbraw/zinc/83/16/34/1115831634.db2.gz ZDVJFASVMQWFQR-LYSZKAAZSA-N 2 0 356.558 4.041 20 30 FIEDRP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cc1C#N ZINC000174324302 1116129153 /nfs/dbraw/zinc/12/91/53/1116129153.db2.gz VWVLOAOTRSJFAK-UHFFFAOYSA-N 2 0 363.505 4.233 20 30 FIEDRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(C#N)c(F)c1 ZINC000539608644 1116351834 /nfs/dbraw/zinc/35/18/34/1116351834.db2.gz XFZLJFIBCBJCNX-HNNXBMFYSA-N 2 0 357.498 4.322 20 30 FIEDRP N#CCC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000130505666 1119468670 /nfs/dbraw/zinc/46/86/70/1119468670.db2.gz ULGKRXDWEWISCX-HSZRJFAPSA-N 2 0 363.505 4.296 20 30 FIEDRP C=C(C)COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1OC ZINC000183102557 1119566014 /nfs/dbraw/zinc/56/60/14/1119566014.db2.gz CKLCCKDTBSEIFG-QUCCMNQESA-N 2 0 372.553 4.393 20 30 FIEDRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000180542021 1124356581 /nfs/dbraw/zinc/35/65/81/1124356581.db2.gz BWNVHYJBXVYLTR-XQBPLPMBSA-N 2 0 363.505 4.293 20 30 FIEDRP N#Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1F ZINC000404093852 1124421828 /nfs/dbraw/zinc/42/18/28/1124421828.db2.gz VJQJKBRDPBUSAW-UHFFFAOYSA-N 2 0 363.480 4.185 20 30 FIEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311592404 1125193856 /nfs/dbraw/zinc/19/38/56/1125193856.db2.gz GUBKSSNVHNXUDW-QFIPXVFZSA-N 2 0 350.506 4.253 20 30 FIEDRP CC[N@H+](C[C@@H](C)CCC#N)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000602477207 567984430 /nfs/dbraw/zinc/98/44/30/567984430.db2.gz ZEEPMWYFRCKWQM-KRWDZBQOSA-N 2 0 357.546 4.139 20 30 FIEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000602515984 567986663 /nfs/dbraw/zinc/98/66/63/567986663.db2.gz UUPYCGPNERJIQR-VQTJNVASSA-N 2 0 369.553 4.107 20 30 FIEDRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)C1 ZINC000176948733 1081170904 /nfs/dbraw/zinc/17/09/04/1081170904.db2.gz KZBNLIITFRXALN-IRXDYDNUSA-N 2 0 353.535 4.387 20 30 FIEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)C1 ZINC000177685946 1081531415 /nfs/dbraw/zinc/53/14/15/1081531415.db2.gz IVTUNDPWEKVSDS-CALCHBBNSA-N 2 0 353.535 4.387 20 30 FIEDRP N#Cc1ccccc1CSCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000177821037 1082152091 /nfs/dbraw/zinc/15/20/91/1082152091.db2.gz OZAGQSGOFYQZAS-UHFFFAOYSA-N 2 0 357.567 4.178 20 30 FIEDRP N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612200474 1083546606 /nfs/dbraw/zinc/54/66/06/1083546606.db2.gz RFFBDLNTZKSWKA-CEWLAPEOSA-N 2 0 351.519 4.010 20 30 FIEDRP C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000651699306 1085388116 /nfs/dbraw/zinc/38/81/16/1085388116.db2.gz OVKXSMMSKUCMQW-PZJWPPBQSA-N 2 0 372.553 4.011 20 30 FIEDRP C=C(C)CN1CCC([NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000194032026 1091675340 /nfs/dbraw/zinc/67/53/40/1091675340.db2.gz QGRGDUITBHFYGO-UHFFFAOYSA-N 2 0 363.343 4.325 20 30 FIEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000521121017 1092498861 /nfs/dbraw/zinc/49/88/61/1092498861.db2.gz XKKZJOFIEJFYDD-IYBDPMFKSA-N 2 0 367.459 4.425 20 30 FIEDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000236926144 1092959873 /nfs/dbraw/zinc/95/98/73/1092959873.db2.gz FCJGGAGNGLPGII-SFHVURJKSA-N 2 0 351.494 4.109 20 30 FIEDRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000447541532 1109573467 /nfs/dbraw/zinc/57/34/67/1109573467.db2.gz MUHIGGYWJLCGPU-HSZRJFAPSA-N 2 0 363.505 4.274 20 30 FIEDRP C=CCc1cc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cc(OC)c1O ZINC000554875749 1112540753 /nfs/dbraw/zinc/54/07/53/1112540753.db2.gz PQEUGQHPTMKVLH-UHFFFAOYSA-N 2 0 368.521 4.213 20 30 FIEDRP CC[N@H+](CCCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000555417776 1112831874 /nfs/dbraw/zinc/83/18/74/1112831874.db2.gz LIDQEOLIHCYTJP-FNAHDJPLSA-N 2 0 356.558 4.185 20 30 FIEDRP CC1(C#N)CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000590649138 1114958929 /nfs/dbraw/zinc/95/89/29/1114958929.db2.gz YXPBVIDTOFDORQ-FVOUEADFSA-N 2 0 351.538 4.349 20 30 FIEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000062426791 1115926013 /nfs/dbraw/zinc/92/60/13/1115926013.db2.gz GUBKSSNVHNXUDW-JOCHJYFZSA-N 2 0 350.506 4.253 20 30 FIEDRP N#Cc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1F ZINC000540348620 1118005852 /nfs/dbraw/zinc/00/58/52/1118005852.db2.gz RFNKSZGPURZMFT-UHFFFAOYSA-N 2 0 363.480 4.185 20 30 FIEDRP N#CCC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000130505890 1119469541 /nfs/dbraw/zinc/46/95/41/1119469541.db2.gz ULGKRXDWEWISCX-QHCPKHFHSA-N 2 0 363.505 4.296 20 30 FIEDRP C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101346 1119566084 /nfs/dbraw/zinc/56/60/84/1119566084.db2.gz LFFCNADOJMSPHL-ICSRJNTNSA-N 2 0 355.526 4.112 20 30 FIEDRP Cc1ccc2[nH+]ccc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000302178462 1124291107 /nfs/dbraw/zinc/29/11/07/1124291107.db2.gz YGHWBSTXDZMEBA-UHFFFAOYSA-N 2 0 356.473 4.127 20 30 FIEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000602586483 567994403 /nfs/dbraw/zinc/99/44/03/567994403.db2.gz RSBVCMKRWRQFRW-FQEVSTJZSA-N 2 0 369.553 4.107 20 30 FIEDRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481918253 568183682 /nfs/dbraw/zinc/18/36/82/568183682.db2.gz GKDRMGFOUXPNPF-HSZRJFAPSA-N 2 0 363.505 4.056 20 30 FIEDRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000580969432 1082261317 /nfs/dbraw/zinc/26/13/17/1082261317.db2.gz PBNZXHHKLSDUBY-DKLXNKCPSA-N 2 0 359.517 4.436 20 30 FIEDRP N#Cc1ccc(F)c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000380798325 1084193624 /nfs/dbraw/zinc/19/36/24/1084193624.db2.gz XZQNTVMYQHDIOG-UHFFFAOYSA-N 2 0 363.480 4.185 20 30 FIEDRP C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000417370986 1090851214 /nfs/dbraw/zinc/85/12/14/1090851214.db2.gz SVWKIGDJNDUIMB-UZUQRXQVSA-N 2 0 363.505 4.227 20 30 FIEDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000236926176 1092959931 /nfs/dbraw/zinc/95/99/31/1092959931.db2.gz FCJGGAGNGLPGII-GOSISDBHSA-N 2 0 351.494 4.109 20 30 FIEDRP C=CCOc1ccccc1CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388855715 1092984975 /nfs/dbraw/zinc/98/49/75/1092984975.db2.gz BOISHJDPQYXWMH-SIKLNZKXSA-N 2 0 350.506 4.252 20 30 FIEDRP C=C(C)COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)ccc1OC ZINC000532985402 1098655483 /nfs/dbraw/zinc/65/54/83/1098655483.db2.gz HKTRLNGZUJLDIL-HXUWFJFHSA-N 2 0 360.542 4.108 20 30 FIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000533448507 1099056787 /nfs/dbraw/zinc/05/67/87/1099056787.db2.gz MVBYGODZLHSAHE-QGZVFWFLSA-N 2 0 351.469 4.362 20 30 FIEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518502146 1101248990 /nfs/dbraw/zinc/24/89/90/1101248990.db2.gz QQZOZFLIGXXMNL-VWPQPMDRSA-N 2 0 356.554 4.106 20 30 FIEDRP CC1CC[NH+](C[C@H]2CCCN(Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000487404602 1105250273 /nfs/dbraw/zinc/25/02/73/1105250273.db2.gz UWMDLDGSBNZXIH-HXUWFJFHSA-N 2 0 353.554 4.432 20 30 FIEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000453297008 1108373936 /nfs/dbraw/zinc/37/39/36/1108373936.db2.gz VOFYXCGHMWNBIQ-KDQFFHPLSA-N 2 0 351.538 4.349 20 30 FIEDRP COc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1C#N ZINC000440818150 1108919000 /nfs/dbraw/zinc/91/90/00/1108919000.db2.gz GGYUOZMXUASUMM-GOSISDBHSA-N 2 0 363.505 4.089 20 30 FIEDRP C=CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000486488822 1113576709 /nfs/dbraw/zinc/57/67/09/1113576709.db2.gz MYQMABJXDOBSMI-SIKLNZKXSA-N 2 0 350.506 4.252 20 30 FIEDRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(C#N)c(F)c1 ZINC000539608645 1116351939 /nfs/dbraw/zinc/35/19/39/1116351939.db2.gz XFZLJFIBCBJCNX-OAHLLOKOSA-N 2 0 357.498 4.322 20 30 FIEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000512462041 1092423270 /nfs/dbraw/zinc/42/32/70/1092423270.db2.gz HCTATONMKUGUEB-UHFFFAOYSA-N 2 0 351.469 4.041 20 30 FIEDRP N#CCCCOc1cccc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513417710 1094106407 /nfs/dbraw/zinc/10/64/07/1094106407.db2.gz YJKFVGVGDQKYRV-QFIPXVFZSA-N 2 0 369.553 4.457 20 30 FIEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)cc1F ZINC000421364292 1095563904 /nfs/dbraw/zinc/56/39/04/1095563904.db2.gz OBSYQNMDOKYQGH-UHFFFAOYSA-N 2 0 351.469 4.363 20 30 FIEDRP C=CCC[C@@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccco1 ZINC000476013853 1100017950 /nfs/dbraw/zinc/01/79/50/1100017950.db2.gz UKVJXCHJUHEGHO-GHTZIAJQSA-N 2 0 354.494 4.297 20 30 FIEDRP C=CCC[C@@H](CC)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551260519 1103009015 /nfs/dbraw/zinc/00/90/15/1103009015.db2.gz YAXUQKLNQYDSCZ-FCHUYYIVSA-N 2 0 356.554 4.250 20 30 FIEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000507560918 1103502962 /nfs/dbraw/zinc/50/29/62/1103502962.db2.gz ACNHLHDJHIQHIB-RBKXMNCYSA-N 2 0 353.554 4.492 20 30 FIEDRP C[NH+](C)CC1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444580507 1108007903 /nfs/dbraw/zinc/00/79/03/1108007903.db2.gz CSGIXJPYWGTUTC-UHFFFAOYSA-N 2 0 361.533 4.160 20 30 FIEDRP COc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1C#N ZINC000440818154 1108918867 /nfs/dbraw/zinc/91/88/67/1108918867.db2.gz GGYUOZMXUASUMM-SFHVURJKSA-N 2 0 363.505 4.089 20 30 FIEDRP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)ccc1C#N ZINC000440821470 1108921009 /nfs/dbraw/zinc/92/10/09/1108921009.db2.gz IXUGQUCSQCMWIN-UHFFFAOYSA-N 2 0 363.505 4.233 20 30 FIEDRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000590653763 1114959996 /nfs/dbraw/zinc/95/99/96/1114959996.db2.gz NSQGPRZVTSERHM-KOSHJBKYSA-N 2 0 359.517 4.231 20 30 FIEDRP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1C#N ZINC000174269819 1116125605 /nfs/dbraw/zinc/12/56/05/1116125605.db2.gz NUEWAXIXRAYCEJ-SFHVURJKSA-N 2 0 363.505 4.089 20 30 FIEDRP C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495415634 1120792480 /nfs/dbraw/zinc/79/24/80/1120792480.db2.gz SAJZEMHMJVNQQF-JKFKMHIGSA-N 2 0 359.517 4.436 20 30 FIEDRP Cc1[nH]c2ccccc2c1CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181660037 1125096561 /nfs/dbraw/zinc/09/65/61/1125096561.db2.gz JDPOXVQRLVHWLS-UHFFFAOYSA-N 2 0 372.516 4.145 20 30 FIEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000177705493 1081579738 /nfs/dbraw/zinc/57/97/38/1081579738.db2.gz UQXNIFOHTOJYPY-UHFFFAOYSA-N 2 0 351.475 4.135 20 30 FIEDRP N#Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1F ZINC000380407135 1082844786 /nfs/dbraw/zinc/84/47/86/1082844786.db2.gz CZAHNDZLSZVITB-UHFFFAOYSA-N 2 0 363.480 4.185 20 30 FIEDRP C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588144 1084902092 /nfs/dbraw/zinc/90/20/92/1084902092.db2.gz VGAJDNHNHNKXFQ-FXAWDEMLSA-N 2 0 351.469 4.260 20 30 FIEDRP C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000417370985 1090851495 /nfs/dbraw/zinc/85/14/95/1090851495.db2.gz SVWKIGDJNDUIMB-SBUREZEXSA-N 2 0 363.505 4.227 20 30 FIEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000237493772 1092502891 /nfs/dbraw/zinc/50/28/91/1092502891.db2.gz NZNGUGZVLYJREJ-IBGZPJMESA-N 2 0 363.505 4.253 20 30 FIEDRP C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000614168847 1093040222 /nfs/dbraw/zinc/04/02/22/1093040222.db2.gz YCRKAUSBCARQMK-JOCHJYFZSA-N 2 0 361.533 4.442 20 30 FIEDRP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000513499201 1094173179 /nfs/dbraw/zinc/17/31/79/1094173179.db2.gz DWXHYZNJOJIAIC-PXNSSMCTSA-N 2 0 351.469 4.088 20 30 FIEDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000237050908 1094670425 /nfs/dbraw/zinc/67/04/25/1094670425.db2.gz XOSUZJSCCBYLCH-YADHBBJMSA-N 2 0 363.505 4.100 20 30 FIEDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000237051635 1094670493 /nfs/dbraw/zinc/67/04/93/1094670493.db2.gz XOSUZJSCCBYLCH-VXKWHMMOSA-N 2 0 363.505 4.100 20 30 FIEDRP C[C@@H](NC(=O)C[NH+]1CCC(c2ncc[nH]2)CC1)c1ccc2c(c1)CCCC2 ZINC000329750002 1095248778 /nfs/dbraw/zinc/24/87/78/1095248778.db2.gz HVQZWZDTOYDVQZ-MRXNPFEDSA-N 2 0 366.509 4.186 20 30 FIEDRP Cc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1C[NH+](C)C ZINC000459773120 1101373262 /nfs/dbraw/zinc/37/32/62/1101373262.db2.gz SMXFAOHXTNTARA-UHFFFAOYSA-N 2 0 362.521 4.005 20 30 FIEDRP Cc1cc(C[NH+](C)C)cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000537444809 1101788476 /nfs/dbraw/zinc/78/84/76/1101788476.db2.gz KJRZQCZBFKWBBH-UHFFFAOYSA-N 2 0 362.521 4.005 20 30 FIEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@@H]1c1cccs1 ZINC000262510007 1107439048 /nfs/dbraw/zinc/43/90/48/1107439048.db2.gz CUOZJVURGHFUNI-FXAWDEMLSA-N 2 0 368.550 4.047 20 30 FIEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCCC(C)(C)C#N)CC1 ZINC000444689072 1108090821 /nfs/dbraw/zinc/09/08/21/1108090821.db2.gz MCGUIRRFBUNNKU-GOSISDBHSA-N 2 0 374.548 4.338 20 30 FIEDRP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000440831001 1108939993 /nfs/dbraw/zinc/93/99/93/1108939993.db2.gz LNSKVZFFDFLPAK-SFHVURJKSA-N 2 0 363.505 4.089 20 30 FIEDRP C#CCOc1ccccc1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000913170120 1114304845 /nfs/dbraw/zinc/30/48/45/1114304845.db2.gz HWIWEHUYZMIPQB-UHFFFAOYSA-N 2 0 362.517 4.220 20 30 FIEDRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccc(CC#N)cc3)C2)s1 ZINC000571807538 1114540669 /nfs/dbraw/zinc/54/06/69/1114540669.db2.gz WUWOWSQNCWDIGK-HXUWFJFHSA-N 2 0 353.535 4.077 20 30 FIEDRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000590653764 1114960031 /nfs/dbraw/zinc/96/00/31/1114960031.db2.gz NSQGPRZVTSERHM-MHECFPHRSA-N 2 0 359.517 4.231 20 30 FIEDRP CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000594500670 1115451064 /nfs/dbraw/zinc/45/10/64/1115451064.db2.gz AREXNIJZCWSNJN-QFIPXVFZSA-N 2 0 361.533 4.142 20 30 FIEDRP C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594941805 1115501779 /nfs/dbraw/zinc/50/17/79/1115501779.db2.gz ARZDQYZPPOXRAH-DENIHFKCSA-N 2 0 359.517 4.242 20 30 FIEDRP CC(C)([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000594967202 1115503307 /nfs/dbraw/zinc/50/33/07/1115503307.db2.gz PCZUYKNKWIWOCK-UHFFFAOYSA-N 2 0 363.505 4.058 20 30 FIEDRP N#Cc1cccc(CN2CCC([NH2+]Cc3ccc(F)c(Cl)c3)CC2)c1 ZINC000593693331 1115798317 /nfs/dbraw/zinc/79/83/17/1115798317.db2.gz UTRIBUSWWFMPGE-UHFFFAOYSA-N 2 0 357.860 4.105 20 30 FIEDRP C=CCOc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063551812 1116078894 /nfs/dbraw/zinc/07/88/94/1116078894.db2.gz VIAIBERJOAZWSB-UHFFFAOYSA-N 2 0 350.506 4.253 20 30 FIEDRP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1C#N ZINC000174269805 1116125431 /nfs/dbraw/zinc/12/54/31/1116125431.db2.gz NUEWAXIXRAYCEJ-GOSISDBHSA-N 2 0 363.505 4.089 20 30 FIEDRP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)ccc1C#N ZINC000443996868 1119178982 /nfs/dbraw/zinc/17/89/82/1119178982.db2.gz KPSJIPBDGCNJKF-UHFFFAOYSA-N 2 0 359.473 4.382 20 30 FIEDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000556868973 1123151482 /nfs/dbraw/zinc/15/14/82/1123151482.db2.gz ZMRNIRKMMWRSGS-NFBKMPQASA-N 2 0 368.569 4.017 20 30 FIEDRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)C1 ZINC000177685957 1081530879 /nfs/dbraw/zinc/53/08/79/1081530879.db2.gz IVTUNDPWEKVSDS-IRXDYDNUSA-N 2 0 353.535 4.387 20 30 FIEDRP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c(F)c1 ZINC000537265208 1082031883 /nfs/dbraw/zinc/03/18/83/1082031883.db2.gz YUMISLRUBRKCHJ-UHFFFAOYSA-N 2 0 351.469 4.363 20 30 FIEDRP Cc1cc(C#N)ccc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000614403299 1093821627 /nfs/dbraw/zinc/82/16/27/1093821627.db2.gz PSSCZSOHYUWXSW-UHFFFAOYSA-N 2 0 359.517 4.355 20 30 FIEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000237186194 1095456450 /nfs/dbraw/zinc/45/64/50/1095456450.db2.gz XOSUZJSCCBYLCH-FGZHOGPDSA-N 2 0 363.505 4.100 20 30 FIEDRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCSCc3ccccc3C#N)CC2)C1 ZINC000536864991 1100384414 /nfs/dbraw/zinc/38/44/14/1100384414.db2.gz VCFTVOSIARHZPP-GCJKJVERSA-N 2 0 371.594 4.424 20 30 FIEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518502145 1101249132 /nfs/dbraw/zinc/24/91/32/1101249132.db2.gz QQZOZFLIGXXMNL-TUNNFDKTSA-N 2 0 356.554 4.106 20 30 FIEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000237492186 1102715933 /nfs/dbraw/zinc/71/59/33/1102715933.db2.gz UIUIFXSBRZRAKQ-IBGZPJMESA-N 2 0 363.505 4.253 20 30 FIEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449131939 1109982159 /nfs/dbraw/zinc/98/21/59/1109982159.db2.gz QMGSMAAJCDOBAQ-BWDFOLQRSA-N 2 0 372.532 4.091 20 30 FIEDRP N#CC1(c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000594916914 1115489196 /nfs/dbraw/zinc/48/91/96/1115489196.db2.gz CTSCAOLRIMPAEJ-QFIPXVFZSA-N 2 0 359.517 4.244 20 30 FIEDRP N#Cc1csc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000594999644 1115506915 /nfs/dbraw/zinc/50/69/15/1115506915.db2.gz FCXUTPWYIFRUOG-IBGZPJMESA-N 2 0 351.519 4.012 20 30 FIEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000595068015 1115509455 /nfs/dbraw/zinc/50/94/55/1115509455.db2.gz MWTUFHZJONREMW-XMMPIXPASA-N 2 0 374.532 4.223 20 30 FIEDRP C=CC[N@@H+](CCc1ccco1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000495181834 1120530648 /nfs/dbraw/zinc/53/06/48/1120530648.db2.gz FWSYNJOZVMXERK-UHFFFAOYSA-N 2 0 367.537 4.041 20 30 FIEDRP C=CCOc1cccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000556429998 1122885999 /nfs/dbraw/zinc/88/59/99/1122885999.db2.gz GSDDGNMXTQLGOE-UHFFFAOYSA-N 2 0 366.505 4.014 20 30 FIEDRP N#Cc1csc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000556883420 1123159113 /nfs/dbraw/zinc/15/91/13/1123159113.db2.gz JIHWHMADDSVNNB-UHFFFAOYSA-N 2 0 351.519 4.108 20 30 FIEDRP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000618805617 1125284876 /nfs/dbraw/zinc/28/48/76/1125284876.db2.gz IWGRLOHWTZRJFL-YCSHWKNNSA-N 2 0 357.501 4.331 20 30 FIEDRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481931144 568189891 /nfs/dbraw/zinc/18/98/91/568189891.db2.gz YTOMCWHOFADAOX-QHCPKHFHSA-N 2 0 363.505 4.056 20 30 FIEDRP N#CC(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)(c1ccccc1)c1ccccc1 ZINC000472587580 1085069548 /nfs/dbraw/zinc/06/95/48/1085069548.db2.gz YUWTZITUOMUIDM-JOCHJYFZSA-N 2 0 373.544 4.304 20 30 FIEDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000236920432 1092954506 /nfs/dbraw/zinc/95/45/06/1092954506.db2.gz GHIMKOTVYSVXJM-SFHVURJKSA-N 2 0 351.494 4.109 20 30 FIEDRP C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000614168848 1093040580 /nfs/dbraw/zinc/04/05/80/1093040580.db2.gz YCRKAUSBCARQMK-QFIPXVFZSA-N 2 0 361.533 4.442 20 30 FIEDRP C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614183080 1093080943 /nfs/dbraw/zinc/08/09/43/1093080943.db2.gz WLKRNJVRPKUVGQ-UGKGYDQZSA-N 2 0 361.533 4.488 20 30 FIEDRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(C#N)cc1F ZINC000512655563 1093083338 /nfs/dbraw/zinc/08/33/38/1093083338.db2.gz VLCRATUCQIPFCS-OAHLLOKOSA-N 2 0 357.498 4.322 20 30 FIEDRP C[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168023503 1093361879 /nfs/dbraw/zinc/36/18/79/1093361879.db2.gz XBLFDBUQCPOTOM-UPHUGPLXSA-N 2 0 351.469 4.229 20 30 FIEDRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(C#N)c(F)c3)c2)CC1 ZINC000421328409 1095524998 /nfs/dbraw/zinc/52/49/98/1095524998.db2.gz SHGJYWVUOGBMKJ-UHFFFAOYSA-N 2 0 351.469 4.219 20 30 FIEDRP N#CCCC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423124389 1096579259 /nfs/dbraw/zinc/57/92/59/1096579259.db2.gz GLATVSAUHABTTL-QNWVGRARSA-N 2 0 361.489 4.267 20 30 FIEDRP N#Cc1ccc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000517581577 1100511840 /nfs/dbraw/zinc/51/18/40/1100511840.db2.gz OBPCPNRXOMAGCU-UHFFFAOYSA-N 2 0 361.533 4.383 20 30 FIEDRP C[C@@H]1C[C@H](N(C)CC#Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000438453987 1100664784 /nfs/dbraw/zinc/66/47/84/1100664784.db2.gz INHFWGHMWUBERO-AUSIDOKSSA-N 2 0 350.481 4.162 20 30 FIEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000532569713 1102493147 /nfs/dbraw/zinc/49/31/47/1102493147.db2.gz QRDXKMFQYGKXLU-UHFFFAOYSA-N 2 0 363.436 4.212 20 30 FIEDRP C#CCOc1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000729682815 1103049322 /nfs/dbraw/zinc/04/93/22/1103049322.db2.gz AEMJSHBIZJIWKU-UHFFFAOYSA-N 2 0 362.517 4.220 20 30 FIEDRP CC[N@H+](CC#Cc1ccccc1Cl)CC1CCN(c2ccccn2)CC1 ZINC000441169668 1104179964 /nfs/dbraw/zinc/17/99/64/1104179964.db2.gz PEZDQJCLCVINBT-UHFFFAOYSA-N 2 0 367.924 4.325 20 30 FIEDRP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)ccc1C#N ZINC000440828633 1108939089 /nfs/dbraw/zinc/93/90/89/1108939089.db2.gz HUOGFCQMTFUJEX-UHFFFAOYSA-N 2 0 363.505 4.089 20 30 FIEDRP C[C@@H]1C[C@@H]1C[N@H+](CCCC[NH+](C)[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H](C#N)C1 ZINC000599611333 1115831711 /nfs/dbraw/zinc/83/17/11/1115831711.db2.gz ZDVJFASVMQWFQR-FTMCFMMZSA-N 2 0 356.558 4.041 20 30 FIEDRP C#CCOc1ccccc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174450032 1116134883 /nfs/dbraw/zinc/13/48/83/1116134883.db2.gz UVPKTFGRXRFXCM-UHFFFAOYSA-N 2 0 374.484 4.213 20 30 FIEDRP C=CCC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556233743 1122750584 /nfs/dbraw/zinc/75/05/84/1122750584.db2.gz QJZFRMYOQNLWDY-XZOQPEGZSA-N 2 0 368.565 4.250 20 30 FIEDRP C[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000135264225 1123731527 /nfs/dbraw/zinc/73/15/27/1123731527.db2.gz VNYRDTKTTFUTCT-NRFANRHFSA-N 2 0 361.533 4.442 20 30 FIEDRP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000237570333 1123980937 /nfs/dbraw/zinc/98/09/37/1123980937.db2.gz UNYONOQYXRSZTJ-NZQKXSOJSA-N 2 0 362.517 4.231 20 30 FIEDRP FC(F)(F)c1ccc(C#CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246972583 1124576921 /nfs/dbraw/zinc/57/69/21/1124576921.db2.gz VNBLBNBXQCFRTQ-FXAWDEMLSA-N 2 0 362.439 4.006 20 30 FIEDRP C=C(C)COc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)ccc1OC ZINC000535813199 1083684495 /nfs/dbraw/zinc/68/44/95/1083684495.db2.gz RZBYZYWYQPLMGJ-UHFFFAOYSA-N 2 0 360.542 4.202 20 30 FIEDRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(OCC#N)cc1 ZINC000182065801 1090327380 /nfs/dbraw/zinc/32/73/80/1090327380.db2.gz UAIMHYSMVKXKGG-PELRDEGISA-N 2 0 355.526 4.283 20 30 FIEDRP C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512288151 1092015082 /nfs/dbraw/zinc/01/50/82/1092015082.db2.gz MHQWMUDMFHHUMJ-ZWOKBUDYSA-N 2 0 351.469 4.259 20 30 FIEDRP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)cc1F ZINC000421328528 1095525153 /nfs/dbraw/zinc/52/51/53/1095525153.db2.gz SULYUDYZMDDFFV-UHFFFAOYSA-N 2 0 351.469 4.363 20 30 FIEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)s1 ZINC000421869441 1095980876 /nfs/dbraw/zinc/98/08/76/1095980876.db2.gz DTATXJXFZPIOLK-NJYVYQBISA-N 2 0 351.519 4.153 20 30 FIEDRP N#CC1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453209381 1108280191 /nfs/dbraw/zinc/28/01/91/1108280191.db2.gz IEVATKAVPZCQGQ-SPODAUKWSA-N 2 0 351.538 4.349 20 30 FIEDRP CC1(C#N)CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000590649139 1114959145 /nfs/dbraw/zinc/95/91/45/1114959145.db2.gz YXPBVIDTOFDORQ-PZYNUVDYSA-N 2 0 351.538 4.349 20 30 FIEDRP N#Cc1ccc(C[NH2+]Cc2ccc(Cn3ccnc3)cc2)c(C(F)(F)F)c1 ZINC000573291139 1115085009 /nfs/dbraw/zinc/08/50/09/1115085009.db2.gz BJOVCJHTMVPING-UHFFFAOYSA-N 2 0 370.378 4.112 20 30 FIEDRP N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000592367446 1115279925 /nfs/dbraw/zinc/27/99/25/1115279925.db2.gz VHMJHIKIGZUCEO-FYYLOGMGSA-N 2 0 357.501 4.332 20 30 FIEDRP CC1(C)C[N@@H+]([C@@H]2CC[C@H](C#N)C2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596591752 1115599951 /nfs/dbraw/zinc/59/99/51/1115599951.db2.gz LNONTTWQMNKGQP-NNWRFLSQSA-N 2 0 351.538 4.301 20 30 FIEDRP CC1(C)C[N@H+](Cc2ccnc(C#N)c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596595976 1115600398 /nfs/dbraw/zinc/60/03/98/1115600398.db2.gz XIJUVBYQIIUPCU-QHCPKHFHSA-N 2 0 374.532 4.076 20 30 FIEDRP C=CCOc1ccccc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000063551789 1116078910 /nfs/dbraw/zinc/07/89/10/1116078910.db2.gz OYDLQEZBBBNYET-UHFFFAOYSA-N 2 0 350.506 4.253 20 30 FIEDRP C=C(C)COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1OC ZINC000183102515 1119565948 /nfs/dbraw/zinc/56/59/48/1119565948.db2.gz CKLCCKDTBSEIFG-UYAOXDASSA-N 2 0 372.553 4.393 20 30 FIEDRP Cc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2cc(F)ccc2[nH+]1 ZINC000301695472 1124252712 /nfs/dbraw/zinc/25/27/12/1124252712.db2.gz YNMNFBUPASPCEW-UHFFFAOYSA-N 2 0 374.463 4.266 20 30 FIEDRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000181626091 1125076204 /nfs/dbraw/zinc/07/62/04/1125076204.db2.gz JJODOGNSFCNOOF-SFHVURJKSA-N 2 0 363.505 4.130 20 30 FIEDRP CC[N@H+](C[C@H](C)CCC#N)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000602477208 567984395 /nfs/dbraw/zinc/98/43/95/567984395.db2.gz ZEEPMWYFRCKWQM-QGZVFWFLSA-N 2 0 357.546 4.139 20 30 FIEDRP N#Cc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1Cl ZINC000619755822 1125682366 /nfs/dbraw/zinc/68/23/66/1125682366.db2.gz UYWDTEIDJUTTTF-WKCHPHFGSA-N 2 0 365.908 4.497 20 30 FIEDRP C=CCOc1cccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000620120307 1125783624 /nfs/dbraw/zinc/78/36/24/1125783624.db2.gz HAVNQAHSWYELEN-UHFFFAOYSA-N 2 0 350.506 4.253 20 30 FIEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176949080 1081170843 /nfs/dbraw/zinc/17/08/43/1081170843.db2.gz KYQQUQNTSUOGTG-CALCHBBNSA-N 2 0 353.535 4.387 20 30 FIEDRP C[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588146 1084902248 /nfs/dbraw/zinc/90/22/48/1084902248.db2.gz VGAJDNHNHNKXFQ-XLIONFOSSA-N 2 0 351.469 4.260 20 30 FIEDRP C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000417373258 1090843144 /nfs/dbraw/zinc/84/31/44/1090843144.db2.gz XBVOIRXHMCYGKD-HXOBKFHXSA-N 2 0 363.505 4.227 20 30 FIEDRP Cc1cc(C#N)ccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000312939000 1091769174 /nfs/dbraw/zinc/76/91/74/1091769174.db2.gz GAMZSUSVTDYNLR-UHFFFAOYSA-N 2 0 359.517 4.355 20 30 FIEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000236913431 1092940842 /nfs/dbraw/zinc/94/08/42/1092940842.db2.gz OYJHXXRVABKOBL-GOSISDBHSA-N 2 0 351.494 4.109 20 30 FIEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000521944578 1092992135 /nfs/dbraw/zinc/99/21/35/1092992135.db2.gz FUDDAFYSLJOZLU-JOCHJYFZSA-N 2 0 363.505 4.056 20 30 FIEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000246840484 1093094148 /nfs/dbraw/zinc/09/41/48/1093094148.db2.gz BQXLDSCKVBPLLP-VQIMIIECSA-N 2 0 356.539 4.175 20 30 FIEDRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421342895 1095537728 /nfs/dbraw/zinc/53/77/28/1095537728.db2.gz PDIVUPLUJMGJBH-UHFFFAOYSA-N 2 0 351.469 4.219 20 30 FIEDRP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)cc1 ZINC001279143049 1095690549 /nfs/dbraw/zinc/69/05/49/1095690549.db2.gz JZLJIHXRMZWJCS-KDURUIRLSA-N 2 0 365.443 4.045 20 30 FIEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)s1 ZINC000421869443 1095981004 /nfs/dbraw/zinc/98/10/04/1095981004.db2.gz DTATXJXFZPIOLK-PWRODBHTSA-N 2 0 351.519 4.153 20 30 FIEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000122226581 1102537077 /nfs/dbraw/zinc/53/70/77/1102537077.db2.gz FOPLXAHKBGWHGO-UHFFFAOYSA-N 2 0 371.569 4.058 20 30 FIEDRP CC1CC[NH+](CCCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507565747 1103506704 /nfs/dbraw/zinc/50/67/04/1103506704.db2.gz MTEFMHSZQDYAEZ-UHFFFAOYSA-N 2 0 353.554 4.492 20 30 FIEDRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(C#N)cc1F ZINC000551811685 1103691720 /nfs/dbraw/zinc/69/17/20/1103691720.db2.gz FBOVXCWRJALPPW-MRXNPFEDSA-N 2 0 367.468 4.021 20 30 FIEDRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000519830998 1103887230 /nfs/dbraw/zinc/88/72/30/1103887230.db2.gz XJRRNXYEDAHWDI-UHFFFAOYSA-N 2 0 353.432 4.179 20 30 FIEDRP COc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ccc1C#N ZINC000440815674 1108917129 /nfs/dbraw/zinc/91/71/29/1108917129.db2.gz KGBHBTNYUBJVDI-SFHVURJKSA-N 2 0 363.505 4.231 20 30 FIEDRP Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccc1C#N ZINC000488129511 1113858332 /nfs/dbraw/zinc/85/83/32/1113858332.db2.gz CCNYFZIDVJKPFI-UHFFFAOYSA-N 2 0 359.517 4.355 20 30 FIEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594942701 1115501451 /nfs/dbraw/zinc/50/14/51/1115501451.db2.gz ZIZHRIZWGDSUDL-AUSIDOKSSA-N 2 0 359.517 4.242 20 30 FIEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594942703 1115501738 /nfs/dbraw/zinc/50/17/38/1115501738.db2.gz ZIZHRIZWGDSUDL-WMZHIEFXSA-N 2 0 359.517 4.242 20 30 FIEDRP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000596093707 1115574202 /nfs/dbraw/zinc/57/42/02/1115574202.db2.gz DYZDFVAUTMQTOI-RBKXMNCYSA-N 2 0 351.538 4.102 20 30 FIEDRP CC1(C)C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596591750 1115600043 /nfs/dbraw/zinc/60/00/43/1115600043.db2.gz LNONTTWQMNKGQP-FCEUIQTBSA-N 2 0 351.538 4.301 20 30 FIEDRP C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101303 1119566133 /nfs/dbraw/zinc/56/61/33/1119566133.db2.gz LFFCNADOJMSPHL-AZUAARDMSA-N 2 0 355.526 4.112 20 30 FIEDRP Cc1ccc(C[NH+](C)C)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000179993337 1124185418 /nfs/dbraw/zinc/18/54/18/1124185418.db2.gz TXPNFFAZUNCWGY-UHFFFAOYSA-N 2 0 362.521 4.005 20 30 FIEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181518293 1124994104 /nfs/dbraw/zinc/99/41/04/1124994104.db2.gz JHYUAHULFCNAAR-SFHVURJKSA-N 2 0 351.494 4.130 20 30 FIEDRP N#CC[C@@H]1CCCN(CC(C[N@@H+]2CCC[C@@H](CC#N)C2)c2ccccc2)C1 ZINC000602883751 568005079 /nfs/dbraw/zinc/00/50/79/568005079.db2.gz LZUDDCRLBCXESN-SFTDATJTSA-N 2 0 364.537 4.022 20 30 FIEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755370 1125681164 /nfs/dbraw/zinc/68/11/64/1125681164.db2.gz FZNPDCBFSRJXJP-KKSFZXQISA-N 2 0 353.897 4.212 20 30 FIEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)C1 ZINC000176948747 1081170947 /nfs/dbraw/zinc/17/09/47/1081170947.db2.gz KZBNLIITFRXALN-IAGOWNOFSA-N 2 0 353.535 4.387 20 30 FIEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)s1 ZINC000176965571 1081175571 /nfs/dbraw/zinc/17/55/71/1081175571.db2.gz RMEOYHGQQHLEHM-UHFFFAOYSA-N 2 0 359.926 4.275 20 30 FIEDRP CCO[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1(CC)CC ZINC000538396052 1084070323 /nfs/dbraw/zinc/07/03/23/1084070323.db2.gz NYWLFSRHGPJDIC-FCHUYYIVSA-N 2 0 369.553 4.096 20 30 FIEDRP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000548788436 1086284451 /nfs/dbraw/zinc/28/44/51/1086284451.db2.gz ZTBKMLHVBBYQGT-OAQYLSRUSA-N 2 0 372.516 4.483 20 30 FIEDRP C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000512288149 1092015482 /nfs/dbraw/zinc/01/54/82/1092015482.db2.gz MHQWMUDMFHHUMJ-UWVAXJGDSA-N 2 0 351.469 4.259 20 30 FIEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)C1 ZINC000533449396 1099057245 /nfs/dbraw/zinc/05/72/45/1099057245.db2.gz PBFPDTGBGQHCAN-HDICACEKSA-N 2 0 365.496 4.465 20 30 FIEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000507560919 1103502345 /nfs/dbraw/zinc/50/23/45/1103502345.db2.gz ACNHLHDJHIQHIB-RDABAPPSSA-N 2 0 353.554 4.492 20 30 FIEDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000531152925 1107581038 /nfs/dbraw/zinc/58/10/38/1107581038.db2.gz RVLHPKRHPCJUBO-VXKWHMMOSA-N 2 0 363.505 4.100 20 30 FIEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000453297010 1108372823 /nfs/dbraw/zinc/37/28/23/1108372823.db2.gz VOFYXCGHMWNBIQ-VPSDZCSPSA-N 2 0 351.538 4.349 20 30 FIEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000446845424 1109363485 /nfs/dbraw/zinc/36/34/85/1109363485.db2.gz ZYNPXKANFMHQAZ-UHFFFAOYSA-N 2 0 350.481 4.021 20 30 FIEDRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000585726078 1110233080 /nfs/dbraw/zinc/23/30/80/1110233080.db2.gz YRZFWDXOXUDZCN-UHFFFAOYSA-N 2 0 351.469 4.230 20 30 FIEDRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000538508388 1111173516 /nfs/dbraw/zinc/17/35/16/1111173516.db2.gz KTWQXDKWWUESDY-QGZVFWFLSA-N 2 0 367.468 4.023 20 30 FIEDRP C=CCOc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000486488819 1113576584 /nfs/dbraw/zinc/57/65/84/1113576584.db2.gz MYQMABJXDOBSMI-KNQAVFIVSA-N 2 0 350.506 4.252 20 30 FIEDRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000590653765 1114960114 /nfs/dbraw/zinc/96/01/14/1114960114.db2.gz NSQGPRZVTSERHM-UUOWRZLLSA-N 2 0 359.517 4.231 20 30 FIEDRP CC(C)([NH2+]C/C=C/C[NH2+]C(C)(C)c1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000595632120 1115551953 /nfs/dbraw/zinc/55/19/53/1115551953.db2.gz CILTYPOGEYJSOY-AATRIKPKSA-N 2 0 372.516 4.336 20 30 FIEDRP Fc1ccc(C#CC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534965416 1116256031 /nfs/dbraw/zinc/25/60/31/1116256031.db2.gz UPHIPDGNYWQXKK-UHFFFAOYSA-N 2 0 362.492 4.165 20 30 FIEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000763433462 1122919893 /nfs/dbraw/zinc/91/98/93/1122919893.db2.gz ROYBLHBEMXOYNL-IBGZPJMESA-N 2 0 355.526 4.065 20 30 FIEDRP CCCCCCCc1ccc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)cc1 ZINC001212320546 1124728492 /nfs/dbraw/zinc/72/84/92/1124728492.db2.gz OSKULTDRSDILPH-UHFFFAOYSA-N 2 0 370.541 4.339 20 30 FIEDRP N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCOc4ccccc43)CC2)cc1 ZINC000181642968 1125086036 /nfs/dbraw/zinc/08/60/36/1125086036.db2.gz ZJSLNNBTGORBEC-QFIPXVFZSA-N 2 0 361.489 4.026 20 30 FIEDRP C[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181847451 1125157319 /nfs/dbraw/zinc/15/73/19/1125157319.db2.gz CZYFKHYIICQOSK-RTBURBONSA-N 2 0 351.494 4.150 20 30 FIEDRP N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000618805614 1125284688 /nfs/dbraw/zinc/28/46/88/1125284688.db2.gz IWGRLOHWTZRJFL-PIATZUFCSA-N 2 0 357.501 4.331 20 30 FIEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000481662323 568081489 /nfs/dbraw/zinc/08/14/89/568081489.db2.gz CWLNFGCSMIGXAB-YFXJRYMSSA-N 2 0 369.553 4.052 20 30 FIEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000375614531 1081178191 /nfs/dbraw/zinc/17/81/91/1081178191.db2.gz VVCHHXAUITYPAT-FQEVSTJZSA-N 2 0 361.574 4.063 20 30 FIEDRP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000651699307 1085387711 /nfs/dbraw/zinc/38/77/11/1085387711.db2.gz OVKXSMMSKUCMQW-TZIWHRDSSA-N 2 0 372.553 4.011 20 30 FIEDRP C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000417373261 1090844135 /nfs/dbraw/zinc/84/41/35/1090844135.db2.gz XBVOIRXHMCYGKD-UZUQRXQVSA-N 2 0 363.505 4.227 20 30 FIEDRP Fc1ccc(C#CC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433173765 1093366766 /nfs/dbraw/zinc/36/67/66/1093366766.db2.gz HIFFXQSVNKUFBI-UHFFFAOYSA-N 2 0 362.492 4.165 20 30 FIEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000237186853 1095455827 /nfs/dbraw/zinc/45/58/27/1095455827.db2.gz XOSUZJSCCBYLCH-FCHUYYIVSA-N 2 0 363.505 4.100 20 30 FIEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421320087 1095517884 /nfs/dbraw/zinc/51/78/84/1095517884.db2.gz AARYVFVGCNQSQS-KRWDZBQOSA-N 2 0 351.469 4.362 20 30 FIEDRP C=CCC[C@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1ccco1 ZINC000476013855 1100018571 /nfs/dbraw/zinc/01/85/71/1100018571.db2.gz UKVJXCHJUHEGHO-RXVVDRJESA-N 2 0 354.494 4.297 20 30 FIEDRP Cc1cccc(NC(=[NH2+])NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000303885297 1107783856 /nfs/dbraw/zinc/78/38/56/1107783856.db2.gz JQVVFAXLIYUZOE-SFHVURJKSA-N 2 0 350.510 4.154 20 30 FIEDRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000447541536 1109573392 /nfs/dbraw/zinc/57/33/92/1109573392.db2.gz MUHIGGYWJLCGPU-QHCPKHFHSA-N 2 0 363.505 4.274 20 30 FIEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538507996 1111173623 /nfs/dbraw/zinc/17/36/23/1111173623.db2.gz QIHCTVYAFORDAC-KRWDZBQOSA-N 2 0 369.484 4.269 20 30 FIEDRP C=CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000486488825 1113576687 /nfs/dbraw/zinc/57/66/87/1113576687.db2.gz MYQMABJXDOBSMI-UGKGYDQZSA-N 2 0 350.506 4.252 20 30 FIEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000489651168 1114144717 /nfs/dbraw/zinc/14/47/17/1114144717.db2.gz TYXJTYOVLSUOSB-UHFFFAOYSA-N 2 0 351.469 4.041 20 30 FIEDRP CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000594500663 1115451096 /nfs/dbraw/zinc/45/10/96/1115451096.db2.gz AREXNIJZCWSNJN-JOCHJYFZSA-N 2 0 361.533 4.142 20 30 FIEDRP CCC1(C[NH2+]Cc2ccc(C#N)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000540627338 1118158075 /nfs/dbraw/zinc/15/80/75/1118158075.db2.gz MEMQXZCGUWUQQF-UHFFFAOYSA-N 2 0 353.535 4.402 20 30 FIEDRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000180542038 1124356522 /nfs/dbraw/zinc/35/65/22/1124356522.db2.gz BWNVHYJBXVYLTR-CNNODRBYSA-N 2 0 363.505 4.293 20 30 FIEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000602514528 567989773 /nfs/dbraw/zinc/98/97/73/567989773.db2.gz KMWOGBANGXIZJM-WOJBJXKFSA-N 2 0 369.553 4.250 20 30 FIEDRP N#CC[C@H]1CCCN(CC(C[N@@H+]2CCC[C@H](CC#N)C2)c2ccccc2)C1 ZINC000602883750 568005066 /nfs/dbraw/zinc/00/50/66/568005066.db2.gz LZUDDCRLBCXESN-NHCUHLMSSA-N 2 0 364.537 4.022 20 30 FIEDRP CCC(CC)[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+]1CCCC1 ZINC000514088760 1088731717 /nfs/dbraw/zinc/73/17/17/1088731717.db2.gz MMYJOXUZLUHGMU-HSZRJFAPSA-N 2 0 368.569 4.017 20 30 FIEDRP N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000566091082 1090151480 /nfs/dbraw/zinc/15/14/80/1090151480.db2.gz NOYHITNLCSXLJS-MNMPARFZSA-N 2 0 367.537 4.149 20 30 FIEDRP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000312409441 1090704446 /nfs/dbraw/zinc/70/44/46/1090704446.db2.gz FRGLGAABSBWAMF-XXBNENTESA-N 2 0 363.505 4.152 20 30 FIEDRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1F ZINC000512642345 1093066177 /nfs/dbraw/zinc/06/61/77/1093066177.db2.gz ORPNBQUAVYQVAL-KRWDZBQOSA-N 2 0 367.468 4.023 20 30 FIEDRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512642736 1093066887 /nfs/dbraw/zinc/06/68/87/1093066887.db2.gz SAGOZFBBBYZEHA-KRWDZBQOSA-N 2 0 351.469 4.260 20 30 FIEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)C1 ZINC000533311575 1098947097 /nfs/dbraw/zinc/94/70/97/1098947097.db2.gz VZSQQANHNBILGF-QGZVFWFLSA-N 2 0 351.469 4.219 20 30 FIEDRP N#Cc1csc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000237849722 1099618082 /nfs/dbraw/zinc/61/80/82/1099618082.db2.gz QEDJNQAZICUWKE-UHFFFAOYSA-N 2 0 367.562 4.444 20 30 FIEDRP N#CCCCOc1cccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000536697060 1100201651 /nfs/dbraw/zinc/20/16/51/1100201651.db2.gz ILHFATRRKCVSQL-UHFFFAOYSA-N 2 0 369.553 4.457 20 30 FIEDRP C[N@@H+](CC#Cc1cccc(Cl)c1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536703485 1100209078 /nfs/dbraw/zinc/20/90/78/1100209078.db2.gz PGPHYXQQWRXFGF-UHFFFAOYSA-N 2 0 367.924 4.325 20 30 FIEDRP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000440831712 1108940342 /nfs/dbraw/zinc/94/03/42/1108940342.db2.gz NLTUJDZXGKWNJJ-SFHVURJKSA-N 2 0 363.505 4.231 20 30 FIEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000447527909 1109562369 /nfs/dbraw/zinc/56/23/69/1109562369.db2.gz HJDCKEBVLCBAMR-DHIUTWEWSA-N 2 0 353.554 4.393 20 30 FIEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](Cc3cccs3)CC1)CC2 ZINC000573609464 1115146646 /nfs/dbraw/zinc/14/66/46/1115146646.db2.gz FUDBMAMMKBQZJI-NRFANRHFSA-N 2 0 351.519 4.109 20 30 FIEDRP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000592367447 1115280120 /nfs/dbraw/zinc/28/01/20/1115280120.db2.gz VHMJHIKIGZUCEO-GGAORHGYSA-N 2 0 357.501 4.332 20 30 FIEDRP N#CC1(c2ccc(C[NH2+]CC3CC[NH+](Cc4cccs4)CC3)cc2)CC1 ZINC000594928897 1115491171 /nfs/dbraw/zinc/49/11/71/1115491171.db2.gz WLTHEUPZYIUBNA-UHFFFAOYSA-N 2 0 365.546 4.305 20 30 FIEDRP C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594941808 1115501861 /nfs/dbraw/zinc/50/18/61/1115501861.db2.gz ARZDQYZPPOXRAH-KNQAVFIVSA-N 2 0 359.517 4.242 20 30 FIEDRP C=C(C)C[NH+]1CCC(Nc2cc(C)[nH+]c3ccc(OC(F)F)cc23)CC1 ZINC000607145379 1116003267 /nfs/dbraw/zinc/00/32/67/1116003267.db2.gz QPTQBOYOXDTYRA-UHFFFAOYSA-N 2 0 361.436 4.019 20 30 FIEDRP C[C@@H](Cc1cccc(F)c1)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168475363 1120435839 /nfs/dbraw/zinc/43/58/39/1120435839.db2.gz XWBMOKWUZPYOSF-RTFZILSDSA-N 2 0 365.496 4.400 20 30 FIEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000763433466 1122919926 /nfs/dbraw/zinc/91/99/26/1122919926.db2.gz ROYBLHBEMXOYNL-LJQANCHMSA-N 2 0 355.526 4.065 20 30 FIEDRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000180542072 1124356236 /nfs/dbraw/zinc/35/62/36/1124356236.db2.gz BWNVHYJBXVYLTR-IPJJNNNSSA-N 2 0 363.505 4.293 20 30 FIEDRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000181441552 1124924481 /nfs/dbraw/zinc/92/44/81/1124924481.db2.gz ZVEOIGCBEPPNTK-OTWHNJEPSA-N 2 0 363.505 4.018 20 30 FIEDRP Cc1ccccc1C1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181658112 1125096690 /nfs/dbraw/zinc/09/66/90/1125096690.db2.gz LKQYBNRJXHQDGM-UHFFFAOYSA-N 2 0 359.517 4.153 20 30 FIEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000602515987 567986610 /nfs/dbraw/zinc/98/66/10/567986610.db2.gz UUPYCGPNERJIQR-WOJBJXKFSA-N 2 0 369.553 4.107 20 30 FIEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000521944579 1092991703 /nfs/dbraw/zinc/99/17/03/1092991703.db2.gz FUDDAFYSLJOZLU-QFIPXVFZSA-N 2 0 363.505 4.056 20 30 FIEDRP CC(C)[NH+]1CCC(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000047698260 1095311348 /nfs/dbraw/zinc/31/13/48/1095311348.db2.gz COGUUVBWYWMZGL-UHFFFAOYSA-N 2 0 363.505 4.100 20 30 FIEDRP C[NH+](C)C1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000421378663 1095576545 /nfs/dbraw/zinc/57/65/45/1095576545.db2.gz VNXZCOCXFCEYCZ-UHFFFAOYSA-N 2 0 363.505 4.100 20 30 FIEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551260521 1103008958 /nfs/dbraw/zinc/00/89/58/1103008958.db2.gz YAXUQKLNQYDSCZ-VXKWHMMOSA-N 2 0 356.554 4.250 20 30 FIEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000237592798 1103100005 /nfs/dbraw/zinc/10/00/05/1103100005.db2.gz GPVJXJUQGGAMFK-QGZVFWFLSA-N 2 0 369.534 4.041 20 30 FIEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000193067289 1107151105 /nfs/dbraw/zinc/15/11/05/1107151105.db2.gz BZGVFEQXXRKPOV-QPPBQGQZSA-N 2 0 373.544 4.302 20 30 FIEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000447527912 1109561999 /nfs/dbraw/zinc/56/19/99/1109561999.db2.gz HJDCKEBVLCBAMR-PKTZIBPZSA-N 2 0 353.554 4.393 20 30 FIEDRP CC1(C#N)CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000590649137 1114959014 /nfs/dbraw/zinc/95/90/14/1114959014.db2.gz YXPBVIDTOFDORQ-AVSSGJIKSA-N 2 0 351.538 4.349 20 30 FIEDRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594501904 1115451659 /nfs/dbraw/zinc/45/16/59/1115451659.db2.gz DZMJLZGYZBVUCV-UHFFFAOYSA-N 2 0 365.521 4.108 20 30 FIEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594942704 1115501616 /nfs/dbraw/zinc/50/16/16/1115501616.db2.gz ZIZHRIZWGDSUDL-XXBNENTESA-N 2 0 359.517 4.242 20 30 FIEDRP C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000594517528 1116207897 /nfs/dbraw/zinc/20/78/97/1116207897.db2.gz XJXJNTZBIOFZGO-SFHVURJKSA-N 2 0 363.505 4.229 20 30 FIEDRP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000312409439 1118637245 /nfs/dbraw/zinc/63/72/45/1118637245.db2.gz FRGLGAABSBWAMF-WMZHIEFXSA-N 2 0 363.505 4.152 20 30 FIEDRP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000312409434 1118637287 /nfs/dbraw/zinc/63/72/87/1118637287.db2.gz FRGLGAABSBWAMF-AUSIDOKSSA-N 2 0 363.505 4.152 20 30 FIEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000375614537 1081177806 /nfs/dbraw/zinc/17/78/06/1081177806.db2.gz VVCHHXAUITYPAT-HXUWFJFHSA-N 2 0 361.574 4.063 20 30 FIEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177686226 1081531258 /nfs/dbraw/zinc/53/12/58/1081531258.db2.gz RTYRAIIILNQFGW-CALCHBBNSA-N 2 0 353.535 4.387 20 30 FIEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCc4cc(C#N)ccc43)CC2)cc1 ZINC000417374263 1090845257 /nfs/dbraw/zinc/84/52/57/1090845257.db2.gz XVBXQDXWPKRWON-XMMPIXPASA-N 2 0 370.500 4.062 20 30 FIEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000236666215 1092407699 /nfs/dbraw/zinc/40/76/99/1092407699.db2.gz AIFPHDIIJDAPKM-SFHVURJKSA-N 2 0 351.494 4.107 20 30 FIEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000521121016 1092499098 /nfs/dbraw/zinc/49/90/98/1092499098.db2.gz XKKZJOFIEJFYDD-HZPDHXFCSA-N 2 0 367.459 4.425 20 30 FIEDRP N#CC1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000442864135 1092807308 /nfs/dbraw/zinc/80/73/08/1092807308.db2.gz BUEILFAPDGVHGA-XJDRTWLVSA-N 2 0 351.538 4.207 20 30 FIEDRP N#CCCC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423124390 1096579342 /nfs/dbraw/zinc/57/93/42/1096579342.db2.gz GLATVSAUHABTTL-QZNHQXDQSA-N 2 0 361.489 4.267 20 30 FIEDRP C=C(C)COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1OC ZINC000532985401 1098655279 /nfs/dbraw/zinc/65/52/79/1098655279.db2.gz HKTRLNGZUJLDIL-FQEVSTJZSA-N 2 0 360.542 4.108 20 30 FIEDRP C=CCC[C@@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1ccco1 ZINC000476013856 1100018275 /nfs/dbraw/zinc/01/82/75/1100018275.db2.gz UKVJXCHJUHEGHO-WIYYLYMNSA-N 2 0 354.494 4.297 20 30 FIEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518502144 1101248731 /nfs/dbraw/zinc/24/87/31/1101248731.db2.gz QQZOZFLIGXXMNL-ONTIZHBOSA-N 2 0 356.554 4.106 20 30 FIEDRP C=C(C)COc1cc(C[NH+]2CCC(C[NH+](CC)CC)CC2)ccc1OC ZINC000506911804 1102948465 /nfs/dbraw/zinc/94/84/65/1102948465.db2.gz RSSFTYTUAFSRKC-UHFFFAOYSA-N 2 0 360.542 4.204 20 30 FIEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000449527588 1110100092 /nfs/dbraw/zinc/10/00/92/1110100092.db2.gz JOUOZILDGCIISU-UHFFFAOYSA-N 2 0 365.521 4.347 20 30 FIEDRP N#Cc1csc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000538725272 1111275870 /nfs/dbraw/zinc/27/58/70/1111275870.db2.gz JQLJJTWCYDKJFY-UHFFFAOYSA-N 2 0 351.519 4.108 20 30 FIEDRP C=CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccco1 ZINC000552280785 1111658126 /nfs/dbraw/zinc/65/81/26/1111658126.db2.gz SRDXQQOACOZEAG-SFTDATJTSA-N 2 0 354.494 4.033 20 30 FIEDRP N#CC1(c2ccc(C[NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000594916913 1115489066 /nfs/dbraw/zinc/48/90/66/1115489066.db2.gz CTSCAOLRIMPAEJ-JOCHJYFZSA-N 2 0 359.517 4.244 20 30 FIEDRP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)cc1C#N ZINC000174271438 1116125585 /nfs/dbraw/zinc/12/55/85/1116125585.db2.gz ARJQYWPFJJKEDC-UHFFFAOYSA-N 2 0 363.505 4.089 20 30 FIEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000609029982 1116141682 /nfs/dbraw/zinc/14/16/82/1116141682.db2.gz NYDWEBUCBZLPMQ-UHFFFAOYSA-N 2 0 372.516 4.155 20 30 FIEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000540146895 1117898117 /nfs/dbraw/zinc/89/81/17/1117898117.db2.gz ASOOOOGAEISYJZ-RDABAPPSSA-N 2 0 353.554 4.348 20 30 FIEDRP N#Cc1cccc(C2([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)CC2)c1 ZINC000570298989 568473624 /nfs/dbraw/zinc/47/36/24/568473624.db2.gz BYVQRILCUBPFAB-YMPZKCBVSA-N 2 0 357.501 4.048 20 30 FIEDRP C=CCCCCCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001209439555 1080695304 /nfs/dbraw/zinc/69/53/04/1080695304.db2.gz SSKNKIFGPHGLIC-DHIUTWEWSA-N 2 0 371.569 4.131 20 30 FIEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176949111 1081171071 /nfs/dbraw/zinc/17/10/71/1081171071.db2.gz KYQQUQNTSUOGTG-IAGOWNOFSA-N 2 0 353.535 4.387 20 30 FIEDRP C#CCCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000236685727 1083970557 /nfs/dbraw/zinc/97/05/57/1083970557.db2.gz UGWGJMXYCKXEDD-UHFFFAOYSA-N 2 0 362.517 4.364 20 30 FIEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000539608303 1084626438 /nfs/dbraw/zinc/62/64/38/1084626438.db2.gz CNYXNRRHNWFWOI-QGZVFWFLSA-N 2 0 369.484 4.269 20 30 FIEDRP C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000417370821 1090849764 /nfs/dbraw/zinc/84/97/64/1090849764.db2.gz SVWKIGDJNDUIMB-HXOBKFHXSA-N 2 0 363.505 4.227 20 30 FIEDRP C=CCOc1ccccc1CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388855713 1092984659 /nfs/dbraw/zinc/98/46/59/1092984659.db2.gz BOISHJDPQYXWMH-KNQAVFIVSA-N 2 0 350.506 4.252 20 30 FIEDRP C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614183077 1093081015 /nfs/dbraw/zinc/08/10/15/1093081015.db2.gz WLKRNJVRPKUVGQ-KNQAVFIVSA-N 2 0 361.533 4.488 20 30 FIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421335377 1095550180 /nfs/dbraw/zinc/55/01/80/1095550180.db2.gz SJTWDPJNMLDACB-QGZVFWFLSA-N 2 0 351.469 4.362 20 30 FIEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000533448506 1099057521 /nfs/dbraw/zinc/05/75/21/1099057521.db2.gz MVBYGODZLHSAHE-KRWDZBQOSA-N 2 0 351.469 4.362 20 30 FIEDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000531152926 1107580623 /nfs/dbraw/zinc/58/06/23/1107580623.db2.gz RVLHPKRHPCJUBO-YADHBBJMSA-N 2 0 363.505 4.100 20 30 FIEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000531152924 1107582083 /nfs/dbraw/zinc/58/20/83/1107582083.db2.gz RVLHPKRHPCJUBO-FGZHOGPDSA-N 2 0 363.505 4.100 20 30 FIEDRP Cc1ccc(NC(=[NH2+])NCC2CC[NH+](Cc3cccs3)CC2)cc1C ZINC000303864500 1107779892 /nfs/dbraw/zinc/77/98/92/1107779892.db2.gz AZJVOGBVQRRBRI-UHFFFAOYSA-N 2 0 356.539 4.004 20 30 FIEDRP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)ccc1C#N ZINC000440632946 1108368967 /nfs/dbraw/zinc/36/89/67/1108368967.db2.gz DEIIGVDBEVEVNW-UHFFFAOYSA-N 2 0 363.505 4.089 20 30 FIEDRP C=CC[NH+]1CCC(Nc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC1 ZINC000899874347 1113036406 /nfs/dbraw/zinc/03/64/06/1113036406.db2.gz AAFPEHXXIVKFMU-UHFFFAOYSA-N 2 0 351.372 4.196 20 30 FIEDRP N#Cc1cccc(CN2CCC([NH2+]Cc3ccc(C(F)F)cc3)CC2)c1 ZINC000593693392 1115798154 /nfs/dbraw/zinc/79/81/54/1115798154.db2.gz XGOOLUFARNWPKR-UHFFFAOYSA-N 2 0 355.432 4.250 20 30 FIEDRP C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495415635 1120792068 /nfs/dbraw/zinc/79/20/68/1120792068.db2.gz SAJZEMHMJVNQQF-KUWBRRTOSA-N 2 0 359.517 4.436 20 30 FIEDRP C=CCc1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc(OC)c1O ZINC000113329473 1121985097 /nfs/dbraw/zinc/98/50/97/1121985097.db2.gz NFZUZKXRFZRAAF-UHFFFAOYSA-N 2 0 368.521 4.259 20 30 FIEDRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000181441588 1124924809 /nfs/dbraw/zinc/92/48/09/1124924809.db2.gz ZVEOIGCBEPPNTK-QRVBRYPASA-N 2 0 363.505 4.018 20 30 FIEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181518249 1124993887 /nfs/dbraw/zinc/99/38/87/1124993887.db2.gz KXVGJJFHVWTUBQ-SFHVURJKSA-N 2 0 351.494 4.130 20 30 FIEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181518204 1124993996 /nfs/dbraw/zinc/99/39/96/1124993996.db2.gz FXXIUIMCMXMVLY-SFHVURJKSA-N 2 0 351.494 4.130 20 30 FIEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181518267 1124994031 /nfs/dbraw/zinc/99/40/31/1124994031.db2.gz KXVGJJFHVWTUBQ-GOSISDBHSA-N 2 0 351.494 4.130 20 30 FIEDRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481918254 568183678 /nfs/dbraw/zinc/18/36/78/568183678.db2.gz GKDRMGFOUXPNPF-QHCPKHFHSA-N 2 0 363.505 4.056 20 30 FIEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000569062754 568295838 /nfs/dbraw/zinc/29/58/38/568295838.db2.gz RVHFOFSEMDMWSF-QHCPKHFHSA-N 2 0 360.505 4.227 20 30 FIEDRP N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612200488 1083546136 /nfs/dbraw/zinc/54/61/36/1083546136.db2.gz RFFBDLNTZKSWKA-HLAWJBBLSA-N 2 0 351.519 4.010 20 30 FIEDRP C[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588147 1084901846 /nfs/dbraw/zinc/90/18/46/1084901846.db2.gz VGAJDNHNHNKXFQ-YLJYHZDGSA-N 2 0 351.469 4.260 20 30 FIEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000178583687 1092095331 /nfs/dbraw/zinc/09/53/31/1092095331.db2.gz BQXLDSCKVBPLLP-LPHOPBHVSA-N 2 0 356.539 4.175 20 30 FIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421320088 1095518267 /nfs/dbraw/zinc/51/82/67/1095518267.db2.gz AARYVFVGCNQSQS-QGZVFWFLSA-N 2 0 351.469 4.362 20 30 FIEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000237486256 1103096400 /nfs/dbraw/zinc/09/64/00/1103096400.db2.gz GPVJXJUQGGAMFK-KRWDZBQOSA-N 2 0 369.534 4.041 20 30 FIEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449162387 1109990038 /nfs/dbraw/zinc/99/00/38/1109990038.db2.gz RPISZPWYAWNYIB-UHFFFAOYSA-N 2 0 351.494 4.474 20 30 FIEDRP N#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c(C(F)(F)F)c1 ZINC000575030646 1115530218 /nfs/dbraw/zinc/53/02/18/1115530218.db2.gz OHOYGBVECNAGTF-UHFFFAOYSA-N 2 0 373.422 4.463 20 30 FIEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000609029968 1116141690 /nfs/dbraw/zinc/14/16/90/1116141690.db2.gz MIDMNFVNMCOJTG-UHFFFAOYSA-N 2 0 351.469 4.041 20 30 FIEDRP C[C@H](Cc1cccc(F)c1)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168474316 1120395881 /nfs/dbraw/zinc/39/58/81/1120395881.db2.gz RJMRUJAAUNUPJX-NLSFWIRASA-N 2 0 365.496 4.400 20 30 FIEDRP C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495415636 1120792313 /nfs/dbraw/zinc/79/23/13/1120792313.db2.gz SAJZEMHMJVNQQF-OEOAZWSVSA-N 2 0 359.517 4.436 20 30 FIEDRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181576578 1125031242 /nfs/dbraw/zinc/03/12/42/1125031242.db2.gz UCFMDUUTMRKOCP-IBGZPJMESA-N 2 0 363.505 4.152 20 30 FIEDRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176949095 1081170989 /nfs/dbraw/zinc/17/09/89/1081170989.db2.gz KYQQUQNTSUOGTG-IRXDYDNUSA-N 2 0 353.535 4.387 20 30 FIEDRP [NH2+]=CNc1ccc(C=[NH+]CCN=Cc2ccc(Br)cc2)cc1 ZINC001167867587 1091852261 /nfs/dbraw/zinc/85/22/61/1091852261.db2.gz LUGVCJFMSCQVFA-ACXSEBCSSA-N 2 0 357.255 4.006 20 30 FIEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236913405 1092941122 /nfs/dbraw/zinc/94/11/22/1092941122.db2.gz OYJHXXRVABKOBL-SFHVURJKSA-N 2 0 351.494 4.109 20 30 FIEDRP CC1CC[NH+](C[C@H]2CCCN(Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000614163245 1093032670 /nfs/dbraw/zinc/03/26/70/1093032670.db2.gz VIVLDLDHTQRNBH-OAQYLSRUSA-N 2 0 353.554 4.432 20 30 FIEDRP C[C@@H]1CC(NC(=[NH2+])c2ccc3ccccc3n2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024367 1093389371 /nfs/dbraw/zinc/38/93/71/1093389371.db2.gz FRUQFNPRLATZER-QZTJIDSGSA-N 2 0 372.516 4.382 20 30 FIEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000237877491 1102202888 /nfs/dbraw/zinc/20/28/88/1102202888.db2.gz OCKRINVDXIBVHF-UHFFFAOYSA-N 2 0 353.897 4.213 20 30 FIEDRP C=C(C)COc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)ccc1OC ZINC000537649725 1102684151 /nfs/dbraw/zinc/68/41/51/1102684151.db2.gz YGJFKVNJHHJJCE-UHFFFAOYSA-N 2 0 360.542 4.204 20 30 FIEDRP C[NH+](C)Cc1cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)ccc1F ZINC000507637398 1103570660 /nfs/dbraw/zinc/57/06/60/1103570660.db2.gz PVCUYCNLFNWSER-UHFFFAOYSA-N 2 0 365.496 4.381 20 30 FIEDRP C[NH+](C)[C@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444689012 1108090648 /nfs/dbraw/zinc/09/06/48/1108090648.db2.gz DXGYRPYJTRZGMI-QHCPKHFHSA-N 2 0 361.533 4.302 20 30 FIEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000447527914 1109562238 /nfs/dbraw/zinc/56/22/38/1109562238.db2.gz HJDCKEBVLCBAMR-XZOQPEGZSA-N 2 0 353.554 4.393 20 30 FIEDRP CC[N@H+](CCCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000555417775 1112831469 /nfs/dbraw/zinc/83/14/69/1112831469.db2.gz LIDQEOLIHCYTJP-CLAROIROSA-N 2 0 356.558 4.185 20 30 FIEDRP CC1CC[NH+](C2CCC([NH2+]Cc3ccc(C4(C#N)CC4)cc3)CC2)CC1 ZINC000594934369 1115500482 /nfs/dbraw/zinc/50/04/82/1115500482.db2.gz DWGWTZSZXBWLIP-UHFFFAOYSA-N 2 0 351.538 4.374 20 30 FIEDRP C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594941810 1115501481 /nfs/dbraw/zinc/50/14/81/1115501481.db2.gz ARZDQYZPPOXRAH-SIKLNZKXSA-N 2 0 359.517 4.242 20 30 FIEDRP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1F ZINC000594999699 1115506648 /nfs/dbraw/zinc/50/66/48/1115506648.db2.gz GWAAIVJLPDWUNO-OAQYLSRUSA-N 2 0 363.480 4.089 20 30 FIEDRP CC1(C)CN(Cc2ccncc2C#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593648 1115600391 /nfs/dbraw/zinc/60/03/91/1115600391.db2.gz QSBIAVHXONGKDN-HSZRJFAPSA-N 2 0 374.532 4.076 20 30 FIEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000540146894 1117897839 /nfs/dbraw/zinc/89/78/39/1117897839.db2.gz ASOOOOGAEISYJZ-RBKXMNCYSA-N 2 0 353.554 4.348 20 30 FIEDRP C=C(C)COc1cc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)ccc1OC ZINC000136063651 1123832740 /nfs/dbraw/zinc/83/27/40/1123832740.db2.gz CKWCQKGKXRFUCB-UHFFFAOYSA-N 2 0 372.484 4.141 20 30 FIEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181518310 1124993249 /nfs/dbraw/zinc/99/32/49/1124993249.db2.gz JHYUAHULFCNAAR-GOSISDBHSA-N 2 0 351.494 4.130 20 30 FIEDRP CC[N@H+](CCC1CC[NH+](CCCC2(C#N)CCOCC2)CC1)CC(C)C ZINC000499599836 1125266339 /nfs/dbraw/zinc/26/63/39/1125266339.db2.gz INUIRJDBBUDEFY-UHFFFAOYSA-N 2 0 363.590 4.167 20 30 FIEDRP N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000618805608 1125284628 /nfs/dbraw/zinc/28/46/28/1125284628.db2.gz IWGRLOHWTZRJFL-JTOYRKQZSA-N 2 0 357.501 4.331 20 30 FIEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614176833 1093065374 /nfs/dbraw/zinc/06/53/74/1093065374.db2.gz MYDBPNCWZHHYDG-UHFFFAOYSA-N 2 0 371.569 4.058 20 30 FIEDRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000423469859 1096693098 /nfs/dbraw/zinc/69/30/98/1096693098.db2.gz KXLORMKLLJGIHV-NNWRFLSQSA-N 2 0 351.469 4.131 20 30 FIEDRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)C1 ZINC000533311574 1098947690 /nfs/dbraw/zinc/94/76/90/1098947690.db2.gz VZSQQANHNBILGF-KRWDZBQOSA-N 2 0 351.469 4.219 20 30 FIEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000517349991 1100320157 /nfs/dbraw/zinc/32/01/57/1100320157.db2.gz VOHATVBYCCOZKR-UHFFFAOYSA-N 2 0 353.432 4.129 20 30 FIEDRP N#CC1(c2ccccc2)CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000536826796 1100341713 /nfs/dbraw/zinc/34/17/13/1100341713.db2.gz NYRJJLFQXGTSPV-UHFFFAOYSA-N 2 0 374.532 4.292 20 30 FIEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc1 ZINC001167988305 1103887527 /nfs/dbraw/zinc/88/75/27/1103887527.db2.gz WSRJZBHCRWODAN-QFIPXVFZSA-N 2 0 361.489 4.160 20 30 FIEDRP N#Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccc1F ZINC000536487956 1105167937 /nfs/dbraw/zinc/16/79/37/1105167937.db2.gz JMWZWRZRFCWPRA-UHFFFAOYSA-N 2 0 363.480 4.185 20 30 FIEDRP COc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccc1C#N ZINC000440815673 1108917113 /nfs/dbraw/zinc/91/71/13/1108917113.db2.gz KGBHBTNYUBJVDI-GOSISDBHSA-N 2 0 363.505 4.231 20 30 FIEDRP C=CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccco1 ZINC000552280782 1111658103 /nfs/dbraw/zinc/65/81/03/1111658103.db2.gz SRDXQQOACOZEAG-LEWJYISDSA-N 2 0 354.494 4.033 20 30 FIEDRP C=CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000552280783 1111658350 /nfs/dbraw/zinc/65/83/50/1111658350.db2.gz SRDXQQOACOZEAG-NHCUHLMSSA-N 2 0 354.494 4.033 20 30 FIEDRP COc1ccc([C@@H](CCC#N)[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000573909062 1115195268 /nfs/dbraw/zinc/19/52/68/1115195268.db2.gz WGWMIJRXPZJZRN-JOCHJYFZSA-N 2 0 357.542 4.388 20 30 FIEDRP N#Cc1ccc(F)c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534968245 1116256532 /nfs/dbraw/zinc/25/65/32/1116256532.db2.gz YPLISWKFGYNKRO-UHFFFAOYSA-N 2 0 363.480 4.185 20 30 FIEDRP C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495415633 1120792566 /nfs/dbraw/zinc/79/25/66/1120792566.db2.gz SAJZEMHMJVNQQF-ANJVHQHFSA-N 2 0 359.517 4.436 20 30 FIEDRP C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131486693 1121595096 /nfs/dbraw/zinc/59/50/96/1121595096.db2.gz SKCGZWHCDZQMCM-ZDUSSCGKSA-N 2 0 355.295 4.279 20 30 FIEDRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000180542056 1124356604 /nfs/dbraw/zinc/35/66/04/1124356604.db2.gz BWNVHYJBXVYLTR-DXIQSLLYSA-N 2 0 363.505 4.293 20 30 FIEDRP CCCCCCCOc1ccc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)cc1 ZINC001212339374 1124860171 /nfs/dbraw/zinc/86/01/71/1124860171.db2.gz ZJCLGAZINNLQRD-NRFANRHFSA-N 2 0 374.529 4.389 20 30 FIEDRP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181847432 1125157157 /nfs/dbraw/zinc/15/71/57/1125157157.db2.gz CZYFKHYIICQOSK-RBUKOAKNSA-N 2 0 351.494 4.150 20 30 FIEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000602515980 567986606 /nfs/dbraw/zinc/98/66/06/567986606.db2.gz UUPYCGPNERJIQR-PMACEKPBSA-N 2 0 369.553 4.107 20 30 FIEDRP N#Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(F)c1 ZINC000380761729 1084181863 /nfs/dbraw/zinc/18/18/63/1084181863.db2.gz PNQLFFAZYGDOIU-UHFFFAOYSA-N 2 0 363.480 4.185 20 30 FIEDRP C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000417370820 1090850509 /nfs/dbraw/zinc/85/05/09/1090850509.db2.gz SVWKIGDJNDUIMB-GAJHUEQPSA-N 2 0 363.505 4.227 20 30 FIEDRP Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C[NH+](C)C)c1 ZINC000183504659 1095338138 /nfs/dbraw/zinc/33/81/38/1095338138.db2.gz GYJUXWLZIWAGTR-UHFFFAOYSA-N 2 0 362.521 4.005 20 30 FIEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)C1 ZINC000421331344 1095529200 /nfs/dbraw/zinc/52/92/00/1095529200.db2.gz JNZDSKJVUSZXFV-QGZVFWFLSA-N 2 0 351.469 4.219 20 30 FIEDRP CC[NH+](CC)Cc1ccccc1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001211988648 1098972219 /nfs/dbraw/zinc/97/22/19/1098972219.db2.gz BBUGKQDTXFGYSW-UHFFFAOYSA-N 2 0 354.523 4.193 20 30 FIEDRP C=CCC[C@H](CC)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551260522 1103008667 /nfs/dbraw/zinc/00/86/67/1103008667.db2.gz YAXUQKLNQYDSCZ-YADHBBJMSA-N 2 0 356.554 4.250 20 30 FIEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000067450064 1105173042 /nfs/dbraw/zinc/17/30/42/1105173042.db2.gz WZNDAHFXMFKIOY-UHFFFAOYSA-N 2 0 364.537 4.166 20 30 FIEDRP N#C[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000447527910 1109562407 /nfs/dbraw/zinc/56/24/07/1109562407.db2.gz HJDCKEBVLCBAMR-GOTSBHOMSA-N 2 0 353.554 4.393 20 30 FIEDRP CC[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000447563433 1109583746 /nfs/dbraw/zinc/58/37/46/1109583746.db2.gz PUTPUIBFAPMYRH-QFIPXVFZSA-N 2 0 351.494 4.130 20 30 FIEDRP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000592367448 1115279757 /nfs/dbraw/zinc/27/97/57/1115279757.db2.gz VHMJHIKIGZUCEO-GMAHTHKFSA-N 2 0 357.501 4.332 20 30 FIEDRP C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594941812 1115501677 /nfs/dbraw/zinc/50/16/77/1115501677.db2.gz ARZDQYZPPOXRAH-UGKGYDQZSA-N 2 0 359.517 4.242 20 30 FIEDRP CC1(C)C[N@@H+]([C@@H]2CC[C@H](C#N)C2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596591751 1115599925 /nfs/dbraw/zinc/59/99/25/1115599925.db2.gz LNONTTWQMNKGQP-KSEOMHKRSA-N 2 0 351.538 4.301 20 30 FIEDRP CC1(C)C[N@H+](CCCSCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593121 1115600690 /nfs/dbraw/zinc/60/06/90/1115600690.db2.gz AEROSALNXWPJOQ-NRFANRHFSA-N 2 0 371.594 4.256 20 30 FIEDRP C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000597014984 1115636234 /nfs/dbraw/zinc/63/62/34/1115636234.db2.gz IBEZPNZVFXQTQM-JOCHJYFZSA-N 2 0 359.517 4.196 20 30 FIEDRP N#CC1(c2ccc(C[NH+]3CCC(c4ncc5n4CCCC5)CC3)cc2)CC1 ZINC000597116960 1115641893 /nfs/dbraw/zinc/64/18/93/1115641893.db2.gz SOHLYHBKDJJKOM-UHFFFAOYSA-N 2 0 360.505 4.154 20 30 FIEDRP Cc1cc(Cl)ccc1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693311 1115798054 /nfs/dbraw/zinc/79/80/54/1115798054.db2.gz UEHQIACKCUETRM-UHFFFAOYSA-N 2 0 353.897 4.274 20 30 FIEDRP C[C@@H]1C[C@@H]1C[N@H+](CCCC[NH+](C)[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000599611313 1115831619 /nfs/dbraw/zinc/83/16/19/1115831619.db2.gz ZDVJFASVMQWFQR-DRGMGAIOSA-N 2 0 356.558 4.041 20 30 FIEDRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1C#N ZINC000174254292 1116126321 /nfs/dbraw/zinc/12/63/21/1116126321.db2.gz ISJWDFSGFTZRLR-UHFFFAOYSA-N 2 0 363.505 4.089 20 30 FIEDRP N#Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000534228565 1116170842 /nfs/dbraw/zinc/17/08/42/1116170842.db2.gz YFZVSEFLDNYKAM-UHFFFAOYSA-N 2 0 363.480 4.185 20 30 FIEDRP N#Cc1cccc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000609466597 1123722070 /nfs/dbraw/zinc/72/20/70/1123722070.db2.gz RWCURQVXVKNUGH-UHFFFAOYSA-N 2 0 361.533 4.383 20 30 FIEDRP C[NH+](CCCCC[N@@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000077250863 1125157050 /nfs/dbraw/zinc/15/70/50/1125157050.db2.gz JDWBPRRGDCMXLX-UHFFFAOYSA-N 2 0 360.505 4.164 20 30 FIEDRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(OCC#N)cc1 ZINC000182065819 1125225491 /nfs/dbraw/zinc/22/54/91/1125225491.db2.gz UAIMHYSMVKXKGG-KMFTYDHNSA-N 2 0 355.526 4.283 20 30 FIEDRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)ccc1F ZINC000481669183 568080989 /nfs/dbraw/zinc/08/09/89/568080989.db2.gz MWZANPIDTOAKSF-QFIPXVFZSA-N 2 0 351.469 4.316 20 30 FIEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000246571994 1081756508 /nfs/dbraw/zinc/75/65/08/1081756508.db2.gz SPIHSVQJMPMUCF-JQVVWYNYSA-N 2 0 363.505 4.120 20 30 FIEDRP C=CCOc1ccccc1CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388855716 1092984837 /nfs/dbraw/zinc/98/48/37/1092984837.db2.gz BOISHJDPQYXWMH-UGKGYDQZSA-N 2 0 350.506 4.252 20 30 FIEDRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCSCc3ccccc3C#N)CC2)C1 ZINC000536864994 1100383440 /nfs/dbraw/zinc/38/34/40/1100383440.db2.gz VCFTVOSIARHZPP-PGRDOPGGSA-N 2 0 371.594 4.424 20 30 FIEDRP C[NH+](C)Cc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1F ZINC000537353087 1101686950 /nfs/dbraw/zinc/68/69/50/1101686950.db2.gz YFARHFBWWRXISA-UHFFFAOYSA-N 2 0 365.496 4.381 20 30 FIEDRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)CC1 ZINC000532589210 1102508557 /nfs/dbraw/zinc/50/85/57/1102508557.db2.gz NYSAKLDRMOMHFP-UHFFFAOYSA-N 2 0 351.469 4.219 20 30 FIEDRP N#Cc1ccc(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167995865 1104575204 /nfs/dbraw/zinc/57/52/04/1104575204.db2.gz SWRHTJHZRIQQHG-VSGJHWFKSA-N 2 0 363.549 4.218 20 30 FIEDRP [NH2+]=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccccc1 ZINC000303992403 1107806606 /nfs/dbraw/zinc/80/66/06/1107806606.db2.gz MVPXPNAJQPFPNF-UHFFFAOYSA-N 2 0 364.537 4.148 20 30 FIEDRP CN(Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NC1CCCCCC1 ZINC000305748562 1107903356 /nfs/dbraw/zinc/90/33/56/1107903356.db2.gz VQXIJNFWURPRJS-UHFFFAOYSA-N 2 0 368.525 4.039 20 30 FIEDRP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)ccc1C#N ZINC000440815993 1108916946 /nfs/dbraw/zinc/91/69/46/1108916946.db2.gz WTZNCWLEQYPMFF-UHFFFAOYSA-N 2 0 363.505 4.233 20 30 FIEDRP CC1(C)C[N@H+](Cc2ccnc(C#N)c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596595975 1115600588 /nfs/dbraw/zinc/60/05/88/1115600588.db2.gz XIJUVBYQIIUPCU-HSZRJFAPSA-N 2 0 374.532 4.076 20 30 FIEDRP CCSc1cccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593693443 1115798332 /nfs/dbraw/zinc/79/83/32/1115798332.db2.gz ZREZWAWWUDYCRV-UHFFFAOYSA-N 2 0 365.546 4.424 20 30 FIEDRP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1C#N ZINC000174270630 1116125492 /nfs/dbraw/zinc/12/54/92/1116125492.db2.gz LXSULPDZNXMSIW-SFHVURJKSA-N 2 0 363.505 4.231 20 30 FIEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000541534575 1118553304 /nfs/dbraw/zinc/55/33/04/1118553304.db2.gz UADIALSERPZLPB-UHFFFAOYSA-N 2 0 359.477 4.106 20 30 FIEDRP C[C@H](Cc1cccc(F)c1)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168475360 1120435967 /nfs/dbraw/zinc/43/59/67/1120435967.db2.gz XWBMOKWUZPYOSF-NLSFWIRASA-N 2 0 365.496 4.400 20 30 FIEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248737094 1124807290 /nfs/dbraw/zinc/80/72/90/1124807290.db2.gz BZGVFEQXXRKPOV-ZJSXRUAMSA-N 2 0 373.544 4.302 20 30 FIEDRP C[NH+](CCCCC[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000077250874 1125158786 /nfs/dbraw/zinc/15/87/86/1125158786.db2.gz FTENLZRZAOQUGH-UHFFFAOYSA-N 2 0 360.505 4.164 20 30 FIEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000602586485 567994378 /nfs/dbraw/zinc/99/43/78/567994378.db2.gz RSBVCMKRWRQFRW-HXUWFJFHSA-N 2 0 369.553 4.107 20 30 FIEDRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)ccc1F ZINC000481669181 568080977 /nfs/dbraw/zinc/08/09/77/568080977.db2.gz MWZANPIDTOAKSF-JOCHJYFZSA-N 2 0 351.469 4.316 20 30 FIEDRP Cc1nc2ccccc2n1CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000569039560 568278136 /nfs/dbraw/zinc/27/81/36/568278136.db2.gz BBIAWJZONWIBFL-UHFFFAOYSA-N 2 0 372.394 4.415 20 30 FIEDRP C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(OC)c(C[NH+](CC)CC)c2)CC1 ZINC000182870248 1125665030 /nfs/dbraw/zinc/66/50/30/1125665030.db2.gz IRBJKBFDQXGFLK-IBGZPJMESA-N 2 0 373.585 4.228 20 30 FIEDRP C=C(C)C[NH+]1CCC(NCc2ccccc2OCc2ccccc2)CC1 ZINC000236690688 1083922573 /nfs/dbraw/zinc/92/25/73/1083922573.db2.gz IBZVEWSZDUEWGX-UHFFFAOYSA-N 2 0 350.506 4.396 20 30 FIEDRP C=CCC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccco1 ZINC000514100086 1088771064 /nfs/dbraw/zinc/77/10/64/1088771064.db2.gz TWIBGJLYQVAPCX-QFIPXVFZSA-N 2 0 367.537 4.214 20 30 FIEDRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000514695775 1089381220 /nfs/dbraw/zinc/38/12/20/1089381220.db2.gz BSLCKMGOCWOHGX-UHFFFAOYSA-N 2 0 353.432 4.131 20 30 FIEDRP N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCc4cc(C#N)ccc43)CC2)cc1 ZINC000417374257 1090844649 /nfs/dbraw/zinc/84/46/49/1090844649.db2.gz XVBXQDXWPKRWON-DEOSSOPVSA-N 2 0 370.500 4.062 20 30 FIEDRP C[C@@H]1CC(NC(=[NH2+])c2ccc3ccccc3n2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024366 1093389773 /nfs/dbraw/zinc/38/97/73/1093389773.db2.gz FRUQFNPRLATZER-HTZLVSCSSA-N 2 0 372.516 4.382 20 30 FIEDRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000513499202 1094172954 /nfs/dbraw/zinc/17/29/54/1094172954.db2.gz DWXHYZNJOJIAIC-XLIONFOSSA-N 2 0 351.469 4.088 20 30 FIEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)C1 ZINC000533449397 1099059053 /nfs/dbraw/zinc/05/90/53/1099059053.db2.gz PBFPDTGBGQHCAN-QZTJIDSGSA-N 2 0 365.496 4.465 20 30 FIEDRP CC(C)[N@H+](C)CC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000531415830 1107853488 /nfs/dbraw/zinc/85/34/88/1107853488.db2.gz QGCAOCDJOWJWMM-UHFFFAOYSA-N 2 0 352.444 4.109 20 30 FIEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCCC(C)(C)C#N)CC1 ZINC000444689074 1108089986 /nfs/dbraw/zinc/08/99/86/1108089986.db2.gz MCGUIRRFBUNNKU-SFHVURJKSA-N 2 0 374.548 4.338 20 30 FIEDRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000538508387 1111173684 /nfs/dbraw/zinc/17/36/84/1111173684.db2.gz KTWQXDKWWUESDY-KRWDZBQOSA-N 2 0 367.468 4.023 20 30 FIEDRP C[N@@H+](CC#Cc1ccccc1Cl)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538946487 1111355298 /nfs/dbraw/zinc/35/52/98/1111355298.db2.gz REGBDJNFKKRINC-UHFFFAOYSA-N 2 0 367.924 4.325 20 30 FIEDRP COc1ccc([C@H](CCC#N)[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000573909063 1115195564 /nfs/dbraw/zinc/19/55/64/1115195564.db2.gz WGWMIJRXPZJZRN-QFIPXVFZSA-N 2 0 357.542 4.388 20 30 FIEDRP CC1(C#N)CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000595000094 1115506698 /nfs/dbraw/zinc/50/66/98/1115506698.db2.gz IOPKZZHXBGLCQK-ITAUSPCMSA-N 2 0 351.538 4.351 20 30 FIEDRP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1C#N ZINC000174272105 1116125601 /nfs/dbraw/zinc/12/56/01/1116125601.db2.gz FNJZDXPVUGIGDB-SFHVURJKSA-N 2 0 363.505 4.231 20 30 FIEDRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)cc1C#N ZINC000174323349 1116129186 /nfs/dbraw/zinc/12/91/86/1116129186.db2.gz GZCWHYDELQMUNK-UHFFFAOYSA-N 2 0 363.505 4.233 20 30 FIEDRP C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000594512201 1116206465 /nfs/dbraw/zinc/20/64/65/1116206465.db2.gz CCFZHPXRSAZPQF-SFHVURJKSA-N 2 0 363.505 4.229 20 30 FIEDRP C=CCC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556233742 1122750713 /nfs/dbraw/zinc/75/07/13/1122750713.db2.gz QJZFRMYOQNLWDY-PKTZIBPZSA-N 2 0 368.565 4.250 20 30 FIEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCOc4ccccc43)CC2)cc1 ZINC000181642949 1125086096 /nfs/dbraw/zinc/08/60/96/1125086096.db2.gz ZJSLNNBTGORBEC-JOCHJYFZSA-N 2 0 361.489 4.026 20 30 FIEDRP C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000619754725 1125680811 /nfs/dbraw/zinc/68/08/11/1125680811.db2.gz IZPBBKGBJFISHX-HNNXBMFYSA-N 2 0 357.885 4.003 20 30 FIEDRP C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000619755430 1125680940 /nfs/dbraw/zinc/68/09/40/1125680940.db2.gz JDCFQXBMRMLODL-OAHLLOKOSA-N 2 0 357.885 4.003 20 30 FIEDRP N#Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1Cl ZINC000619755821 1125682300 /nfs/dbraw/zinc/68/23/00/1125682300.db2.gz UYWDTEIDJUTTTF-MZADTFQBSA-N 2 0 365.908 4.497 20 30 FIEDRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000580969436 1082261523 /nfs/dbraw/zinc/26/15/23/1082261523.db2.gz PBNZXHHKLSDUBY-PUZWTLIVSA-N 2 0 359.517 4.436 20 30 FIEDRP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000312409437 1090705004 /nfs/dbraw/zinc/70/50/04/1090705004.db2.gz FRGLGAABSBWAMF-CVDCTZTESA-N 2 0 363.505 4.152 20 30 FIEDRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512642737 1093067241 /nfs/dbraw/zinc/06/72/41/1093067241.db2.gz SAGOZFBBBYZEHA-QGZVFWFLSA-N 2 0 351.469 4.260 20 30 FIEDRP C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614183070 1093080709 /nfs/dbraw/zinc/08/07/09/1093080709.db2.gz WLKRNJVRPKUVGQ-DENIHFKCSA-N 2 0 361.533 4.488 20 30 FIEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512667849 1093111662 /nfs/dbraw/zinc/11/16/62/1093111662.db2.gz RHGGCLGEIHSHJN-KRWDZBQOSA-N 2 0 369.484 4.269 20 30 FIEDRP Cc1ccc(-n2ccnc2)c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000329247796 1094795914 /nfs/dbraw/zinc/79/59/14/1094795914.db2.gz SDNPIBICSNSXJI-UHFFFAOYSA-N 2 0 366.509 4.140 20 30 FIEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)s1 ZINC000421869439 1095981043 /nfs/dbraw/zinc/98/10/43/1095981043.db2.gz DTATXJXFZPIOLK-NJDAHSKKSA-N 2 0 351.519 4.153 20 30 FIEDRP C=CCC[C@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)c1ccco1 ZINC000514098551 1103783550 /nfs/dbraw/zinc/78/35/50/1103783550.db2.gz HVDDNDVEMMYYKT-QFIPXVFZSA-N 2 0 367.537 4.214 20 30 FIEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc1 ZINC001167988302 1103887658 /nfs/dbraw/zinc/88/76/58/1103887658.db2.gz WSRJZBHCRWODAN-JOCHJYFZSA-N 2 0 361.489 4.160 20 30 FIEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@@H]1c1cccs1 ZINC000262510010 1107438448 /nfs/dbraw/zinc/43/84/48/1107438448.db2.gz CUOZJVURGHFUNI-YLJYHZDGSA-N 2 0 368.550 4.047 20 30 FIEDRP CC[N@H+](CCCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000555417777 1112832673 /nfs/dbraw/zinc/83/26/73/1112832673.db2.gz LIDQEOLIHCYTJP-MYGLTJDJSA-N 2 0 356.558 4.185 20 30 FIEDRP CC1(C)C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596591749 1115600065 /nfs/dbraw/zinc/60/00/65/1115600065.db2.gz LNONTTWQMNKGQP-CEMLEFRQSA-N 2 0 351.538 4.301 20 30 FIEDRP CC1(C)C[N@H+](Cc2ccc(C#N)cn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596595671 1115600739 /nfs/dbraw/zinc/60/07/39/1115600739.db2.gz UUKZNBRPCIKQTI-QHCPKHFHSA-N 2 0 374.532 4.076 20 30 FIEDRP CC1(C)C[N@H+](CCCSCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593128 1115600798 /nfs/dbraw/zinc/60/07/98/1115600798.db2.gz AEROSALNXWPJOQ-OAQYLSRUSA-N 2 0 371.594 4.256 20 30 FIEDRP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000174271961 1116125573 /nfs/dbraw/zinc/12/55/73/1116125573.db2.gz WHUCJYDKVGSVRC-GOSISDBHSA-N 2 0 363.505 4.089 20 30 FIEDRP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)cc1C#N ZINC000174352204 1116132252 /nfs/dbraw/zinc/13/22/52/1116132252.db2.gz VWHPHVSDKNSEQR-UHFFFAOYSA-N 2 0 363.505 4.089 20 30 FIEDRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000495435682 1120809339 /nfs/dbraw/zinc/80/93/39/1120809339.db2.gz ZDABGQVBKLPEGA-XGHQBKJUSA-N 2 0 351.469 4.259 20 30 FIEDRP C=C(C)COc1cc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)ccc1OC ZINC000127267922 1122071683 /nfs/dbraw/zinc/07/16/83/1122071683.db2.gz IAARUCSYNKANBJ-UHFFFAOYSA-N 2 0 354.494 4.002 20 30 FIEDRP C=CCOc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000556407183 1122868626 /nfs/dbraw/zinc/86/86/26/1122868626.db2.gz BQOXIQIQZKZYST-UHFFFAOYSA-N 2 0 366.505 4.014 20 30 FIEDRP C=CCOc1ccccc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000556408717 1122874958 /nfs/dbraw/zinc/87/49/58/1122874958.db2.gz ADHGJVANLAAPRO-UHFFFAOYSA-N 2 0 366.505 4.014 20 30 FIEDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000556868975 1123151159 /nfs/dbraw/zinc/15/11/59/1123151159.db2.gz ZMRNIRKMMWRSGS-OFNKIYASSA-N 2 0 368.569 4.017 20 30 FIEDRP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000237597386 1123993943 /nfs/dbraw/zinc/99/39/43/1123993943.db2.gz UIUIFXSBRZRAKQ-LJQANCHMSA-N 2 0 363.505 4.253 20 30 FIEDRP C[C@H](CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000181847413 1125157113 /nfs/dbraw/zinc/15/71/13/1125157113.db2.gz CZYFKHYIICQOSK-MOPGFXCFSA-N 2 0 351.494 4.150 20 30 FIEDRP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000618805610 1125284822 /nfs/dbraw/zinc/28/48/22/1125284822.db2.gz IWGRLOHWTZRJFL-KHUIQGCPSA-N 2 0 357.501 4.331 20 30 FIEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000602515982 567986619 /nfs/dbraw/zinc/98/66/19/567986619.db2.gz UUPYCGPNERJIQR-UXHICEINSA-N 2 0 369.553 4.107 20 30 FIEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177686243 1081530975 /nfs/dbraw/zinc/53/09/75/1081530975.db2.gz RTYRAIIILNQFGW-IAGOWNOFSA-N 2 0 353.535 4.387 20 30 FIEDRP C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000651699304 1085388029 /nfs/dbraw/zinc/38/80/29/1085388029.db2.gz OVKXSMMSKUCMQW-CTNGQTDRSA-N 2 0 372.553 4.011 20 30 FIEDRP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000548788435 1086284915 /nfs/dbraw/zinc/28/49/15/1086284915.db2.gz ZTBKMLHVBBYQGT-NRFANRHFSA-N 2 0 372.516 4.483 20 30 FIEDRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)C1 ZINC000421331340 1095528367 /nfs/dbraw/zinc/52/83/67/1095528367.db2.gz JNZDSKJVUSZXFV-KRWDZBQOSA-N 2 0 351.469 4.219 20 30 FIEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518502143 1101248913 /nfs/dbraw/zinc/24/89/13/1101248913.db2.gz QQZOZFLIGXXMNL-JAXLGGSGSA-N 2 0 356.554 4.106 20 30 FIEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000453297012 1108373479 /nfs/dbraw/zinc/37/34/79/1108373479.db2.gz VOFYXCGHMWNBIQ-YRFMLNNJSA-N 2 0 351.538 4.349 20 30 FIEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594942702 1115501280 /nfs/dbraw/zinc/50/12/80/1115501280.db2.gz ZIZHRIZWGDSUDL-CVDCTZTESA-N 2 0 359.517 4.242 20 30 FIEDRP N#Cc1csc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000594999645 1115506612 /nfs/dbraw/zinc/50/66/12/1115506612.db2.gz FCXUTPWYIFRUOG-LJQANCHMSA-N 2 0 351.519 4.012 20 30 FIEDRP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000595001170 1115506633 /nfs/dbraw/zinc/50/66/33/1115506633.db2.gz RFBUKRRMYVEBKH-SFHVURJKSA-N 2 0 351.519 4.012 20 30 FIEDRP CC1(C#N)CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000595000085 1115506766 /nfs/dbraw/zinc/50/67/66/1115506766.db2.gz IOPKZZHXBGLCQK-HWELCPFYSA-N 2 0 351.538 4.351 20 30 FIEDRP N#CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000542279976 1118878888 /nfs/dbraw/zinc/87/88/88/1118878888.db2.gz FCAUCQDAAYWYSX-DEOSSOPVSA-N 2 0 359.517 4.241 20 30 FIEDRP C=C(C)COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1OC ZINC000183102496 1119566161 /nfs/dbraw/zinc/56/61/61/1119566161.db2.gz CKLCCKDTBSEIFG-AZUAARDMSA-N 2 0 372.553 4.393 20 30 FIEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000180791203 1124430628 /nfs/dbraw/zinc/43/06/28/1124430628.db2.gz AHLWVIBVGBZQCG-IBGZPJMESA-N 2 0 357.542 4.311 20 30 FIEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000181518223 1124993704 /nfs/dbraw/zinc/99/37/04/1124993704.db2.gz FXXIUIMCMXMVLY-GOSISDBHSA-N 2 0 351.494 4.130 20 30 FIEDRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481931143 568189929 /nfs/dbraw/zinc/18/99/29/568189929.db2.gz YTOMCWHOFADAOX-HSZRJFAPSA-N 2 0 363.505 4.056 20 30 FIEDRP C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000619755429 1125680898 /nfs/dbraw/zinc/68/08/98/1125680898.db2.gz JDCFQXBMRMLODL-HNNXBMFYSA-N 2 0 357.885 4.003 20 30 FIEDRP C=CCC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccco1 ZINC000276418446 1082742834 /nfs/dbraw/zinc/74/28/34/1082742834.db2.gz GTAFASKNZGXTAM-NRFANRHFSA-N 2 0 354.494 4.033 20 30 FIEDRP C=CCC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccco1 ZINC000276418447 1082743205 /nfs/dbraw/zinc/74/32/05/1082743205.db2.gz GTAFASKNZGXTAM-OAQYLSRUSA-N 2 0 354.494 4.033 20 30 FIEDRP N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612200489 1083546395 /nfs/dbraw/zinc/54/63/95/1083546395.db2.gz RFFBDLNTZKSWKA-HMXCVIKNSA-N 2 0 351.519 4.010 20 30 FIEDRP N#Cc1ccccc1-c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000515401989 1090013090 /nfs/dbraw/zinc/01/30/90/1090013090.db2.gz AXQQSFCKHVZNEA-UHFFFAOYSA-N 2 0 368.484 4.379 20 30 FIEDRP C#CCCOc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000236684636 1090454273 /nfs/dbraw/zinc/45/42/73/1090454273.db2.gz ZESOQHMLOGMMOQ-UHFFFAOYSA-N 2 0 368.546 4.152 20 30 FIEDRP N#CCCCOc1cccc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000513417709 1094106444 /nfs/dbraw/zinc/10/64/44/1094106444.db2.gz YJKFVGVGDQKYRV-JOCHJYFZSA-N 2 0 369.553 4.457 20 30 FIEDRP C[NH+](C)CCCC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000501791470 1094925622 /nfs/dbraw/zinc/92/56/22/1094925622.db2.gz QWNWVEMMEYRERP-UHFFFAOYSA-N 2 0 352.444 4.111 20 30 FIEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421335510 1095550410 /nfs/dbraw/zinc/55/04/10/1095550410.db2.gz SPNXBTCCSFGRQU-QGZVFWFLSA-N 2 0 351.469 4.219 20 30 FIEDRP CCC1(C[NH2+]Cc2cc(C#N)cs2)CC[NH+](Cc2ccccc2)CC1 ZINC000533583966 1099197204 /nfs/dbraw/zinc/19/72/04/1099197204.db2.gz QPHDJRZDUHZSHK-UHFFFAOYSA-N 2 0 353.535 4.402 20 30 FIEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@H]1c1cccs1 ZINC000262510009 1107438714 /nfs/dbraw/zinc/43/87/14/1107438714.db2.gz CUOZJVURGHFUNI-XLIONFOSSA-N 2 0 368.550 4.047 20 30 FIEDRP N#CC1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453209383 1108279554 /nfs/dbraw/zinc/27/95/54/1108279554.db2.gz IEVATKAVPZCQGQ-WVGDURHJSA-N 2 0 351.538 4.349 20 30 FIEDRP N#Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000552273831 1111655489 /nfs/dbraw/zinc/65/54/89/1111655489.db2.gz UGVVMILRKROTEK-UHFFFAOYSA-N 2 0 351.519 4.108 20 30 FIEDRP C=C(C)COc1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)ccc1OC ZINC000057960615 1115053417 /nfs/dbraw/zinc/05/34/17/1115053417.db2.gz ORFYRSYHIPGDBV-UHFFFAOYSA-N 2 0 354.494 4.002 20 30 FIEDRP N#CC1(c2ccccc2)CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000595104760 1115516632 /nfs/dbraw/zinc/51/66/32/1115516632.db2.gz UGDXKCCLUGTVOC-UHFFFAOYSA-N 2 0 351.538 4.102 20 30 FIEDRP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1C#N ZINC000174271973 1116125401 /nfs/dbraw/zinc/12/54/01/1116125401.db2.gz WHUCJYDKVGSVRC-SFHVURJKSA-N 2 0 363.505 4.089 20 30 FIEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000539608302 1116351671 /nfs/dbraw/zinc/35/16/71/1116351671.db2.gz CNYXNRRHNWFWOI-KRWDZBQOSA-N 2 0 369.484 4.269 20 30 FIEDRP C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101326 1119565935 /nfs/dbraw/zinc/56/59/35/1119565935.db2.gz LFFCNADOJMSPHL-UYAOXDASSA-N 2 0 355.526 4.112 20 30 FIEDRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000495435680 1120809330 /nfs/dbraw/zinc/80/93/30/1120809330.db2.gz ZDABGQVBKLPEGA-FIKGOQFSSA-N 2 0 351.469 4.259 20 30 FIEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000556868974 1123151332 /nfs/dbraw/zinc/15/13/32/1123151332.db2.gz ZMRNIRKMMWRSGS-NZQKXSOJSA-N 2 0 368.569 4.017 20 30 FIEDRP C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(OC)c(C[NH+](CC)CC)c2)CC1 ZINC000182870231 1125665214 /nfs/dbraw/zinc/66/52/14/1125665214.db2.gz IRBJKBFDQXGFLK-LJQANCHMSA-N 2 0 373.585 4.228 20 30 FIEDRP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000247477558 1083328242 /nfs/dbraw/zinc/32/82/42/1083328242.db2.gz UBWWEEWYEAQRSZ-CEXWTWQISA-N 2 0 363.505 4.018 20 30 FIEDRP C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611588145 1084902345 /nfs/dbraw/zinc/90/23/45/1084902345.db2.gz VGAJDNHNHNKXFQ-PXNSSMCTSA-N 2 0 351.469 4.260 20 30 FIEDRP C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000651699305 1085388402 /nfs/dbraw/zinc/38/84/02/1085388402.db2.gz OVKXSMMSKUCMQW-FPOVZHCZSA-N 2 0 372.553 4.011 20 30 FIEDRP C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614183079 1093081090 /nfs/dbraw/zinc/08/10/90/1093081090.db2.gz WLKRNJVRPKUVGQ-SIKLNZKXSA-N 2 0 361.533 4.488 20 30 FIEDRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000421322407 1095520857 /nfs/dbraw/zinc/52/08/57/1095520857.db2.gz DUFVFVJZWGEJGE-UHFFFAOYSA-N 2 0 351.469 4.219 20 30 FIEDRP C=CCOc1cccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1 ZINC001648980005 1102163854 /nfs/dbraw/zinc/16/38/54/1102163854.db2.gz TZJJFUDDUUTIBE-UHFFFAOYSA-N 2 0 356.535 4.315 20 30 FIEDRP C=CCc1cc(C[NH+]2CCC(C[N@@H+](C)CCCC)CC2)cc(OC)c1O ZINC000506862054 1102924646 /nfs/dbraw/zinc/92/46/46/1102924646.db2.gz ODTDKFVYJCDWAZ-UHFFFAOYSA-N 2 0 360.542 4.073 20 30 FIEDRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(C#N)cc1F ZINC000551811683 1103691048 /nfs/dbraw/zinc/69/10/48/1103691048.db2.gz FBOVXCWRJALPPW-INIZCTEOSA-N 2 0 367.468 4.021 20 30 FIEDRP C=C(C)CN1CCC([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449126794 1109981347 /nfs/dbraw/zinc/98/13/47/1109981347.db2.gz VUSZVJAYTSMHTH-UHFFFAOYSA-N 2 0 363.477 4.218 20 30 FIEDRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000590653762 1114960168 /nfs/dbraw/zinc/96/01/68/1114960168.db2.gz NSQGPRZVTSERHM-HOYKHHGWSA-N 2 0 359.517 4.231 20 30 FIEDRP N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000592367449 1115280101 /nfs/dbraw/zinc/28/01/01/1115280101.db2.gz VHMJHIKIGZUCEO-JTHBVZDNSA-N 2 0 357.501 4.332 20 30 FIEDRP C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000597014985 1115636197 /nfs/dbraw/zinc/63/61/97/1115636197.db2.gz IBEZPNZVFXQTQM-QFIPXVFZSA-N 2 0 359.517 4.196 20 30 FIEDRP N#CCc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000542279981 1118878972 /nfs/dbraw/zinc/87/89/72/1118878972.db2.gz FCAUCQDAAYWYSX-XMMPIXPASA-N 2 0 359.517 4.241 20 30 FIEDRP C=CCOc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311954036 1119396573 /nfs/dbraw/zinc/39/65/73/1119396573.db2.gz MDDWEJDNYWHUEF-KNQAVFIVSA-N 2 0 350.506 4.252 20 30 FIEDRP C=CCCCCCCCC[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001209442378 1080698980 /nfs/dbraw/zinc/69/89/80/1080698980.db2.gz HDKXHCBYYHAVMQ-UHFFFAOYSA-N 2 0 358.574 4.254 20 30 FIEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)C1 ZINC000176948721 1081171040 /nfs/dbraw/zinc/17/10/40/1081171040.db2.gz KZBNLIITFRXALN-CALCHBBNSA-N 2 0 353.535 4.387 20 30 FIEDRP N#Cc1csc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000177697996 1081553691 /nfs/dbraw/zinc/55/36/91/1081553691.db2.gz JYLPAGVIWUUJRA-UHFFFAOYSA-N 2 0 359.926 4.275 20 30 FIEDRP Cc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000134549446 1082705405 /nfs/dbraw/zinc/70/54/05/1082705405.db2.gz FALUZELIICVDKI-DNVCBOLYSA-N 2 0 374.891 4.207 20 30 FIEDRP CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)CC1CCN(c2ccccn2)CC1 ZINC001167499302 1084022747 /nfs/dbraw/zinc/02/27/47/1084022747.db2.gz GAIVPVZBZFGWJY-UHFFFAOYSA-N 2 0 368.912 4.345 20 30 FIEDRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000521121015 1092499359 /nfs/dbraw/zinc/49/93/59/1092499359.db2.gz XKKZJOFIEJFYDD-HOTGVXAUSA-N 2 0 367.459 4.425 20 30 FIEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614191606 1093118647 /nfs/dbraw/zinc/11/86/47/1093118647.db2.gz VYOCWYIETTUWPL-AUSIDOKSSA-N 2 0 361.533 4.488 20 30 FIEDRP C[N@@H+](Cc1ccccc1C(C)(C)C#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501043939 1094449410 /nfs/dbraw/zinc/44/94/10/1094449410.db2.gz FCYWAWDGTAMJKY-UHFFFAOYSA-N 2 0 362.521 4.231 20 30 FIEDRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421335508 1095549713 /nfs/dbraw/zinc/54/97/13/1095549713.db2.gz SPNXBTCCSFGRQU-KRWDZBQOSA-N 2 0 351.469 4.219 20 30 FIEDRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)C1 ZINC000533449398 1099058732 /nfs/dbraw/zinc/05/87/32/1099058732.db2.gz PBFPDTGBGQHCAN-ROUUACIJSA-N 2 0 365.496 4.465 20 30 FIEDRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1F ZINC000518445555 1101206488 /nfs/dbraw/zinc/20/64/88/1101206488.db2.gz QFJRRSNDILYKES-UHFFFAOYSA-N 2 0 365.374 4.068 20 30 FIEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)cc1Cl ZINC000439444450 1101444429 /nfs/dbraw/zinc/44/44/29/1101444429.db2.gz UUMQPZMZKGQUPG-UHFFFAOYSA-N 2 0 368.912 4.345 20 30 FIEDRP CC1CC[NH+](C[C@@H]2CCCN(Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000487404601 1105250189 /nfs/dbraw/zinc/25/01/89/1105250189.db2.gz UWMDLDGSBNZXIH-FQEVSTJZSA-N 2 0 353.554 4.432 20 30 FIEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000193067276 1107149922 /nfs/dbraw/zinc/14/99/22/1107149922.db2.gz BZGVFEQXXRKPOV-URXFXBBRSA-N 2 0 373.544 4.302 20 30 FIEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@H]1c1cccs1 ZINC000262510008 1107439377 /nfs/dbraw/zinc/43/93/77/1107439377.db2.gz CUOZJVURGHFUNI-PXNSSMCTSA-N 2 0 368.550 4.047 20 30 FIEDRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444689011 1108091028 /nfs/dbraw/zinc/09/10/28/1108091028.db2.gz DXGYRPYJTRZGMI-HSZRJFAPSA-N 2 0 361.533 4.302 20 30 FIEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000538507997 1111173416 /nfs/dbraw/zinc/17/34/16/1111173416.db2.gz QIHCTVYAFORDAC-QGZVFWFLSA-N 2 0 369.484 4.269 20 30 FIEDRP N#CC1(c2ccccn2)CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000573184622 1115062841 /nfs/dbraw/zinc/06/28/41/1115062841.db2.gz ZFOXQHNZFPHTPQ-UHFFFAOYSA-N 2 0 374.532 4.125 20 30 FIEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](Cc3cccs3)CC1)CC2 ZINC000573609465 1115146433 /nfs/dbraw/zinc/14/64/33/1115146433.db2.gz FUDBMAMMKBQZJI-OAQYLSRUSA-N 2 0 351.519 4.109 20 30 FIEDRP C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000594512199 1115456349 /nfs/dbraw/zinc/45/63/49/1115456349.db2.gz CCFZHPXRSAZPQF-GOSISDBHSA-N 2 0 363.505 4.229 20 30 FIEDRP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000595001169 1115506542 /nfs/dbraw/zinc/50/65/42/1115506542.db2.gz RFBUKRRMYVEBKH-GOSISDBHSA-N 2 0 351.519 4.012 20 30 FIEDRP C=C(C)COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1OC ZINC000183102540 1119566067 /nfs/dbraw/zinc/56/60/67/1119566067.db2.gz CKLCCKDTBSEIFG-ICSRJNTNSA-N 2 0 372.553 4.393 20 30 FIEDRP C=CCC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000556233740 1122750405 /nfs/dbraw/zinc/75/04/05/1122750405.db2.gz QJZFRMYOQNLWDY-DHIUTWEWSA-N 2 0 368.565 4.250 20 30 FIEDRP CCOc1cc(C)ccc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181889235 1125169150 /nfs/dbraw/zinc/16/91/50/1125169150.db2.gz RAHBONRBGOMFEZ-UHFFFAOYSA-N 2 0 363.505 4.020 20 30 FIEDRP C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619755086 1125680575 /nfs/dbraw/zinc/68/05/75/1125680575.db2.gz SQSIGQZOWQFTFN-UZLBHIALSA-N 2 0 353.897 4.212 20 30 FIEDRP N#CC1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000442864133 1092808229 /nfs/dbraw/zinc/80/82/29/1092808229.db2.gz BUEILFAPDGVHGA-QTTFNEAQSA-N 2 0 351.538 4.207 20 30 FIEDRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(C#N)cc1F ZINC000512655562 1093083904 /nfs/dbraw/zinc/08/39/04/1093083904.db2.gz VLCRATUCQIPFCS-HNNXBMFYSA-N 2 0 357.498 4.322 20 30 FIEDRP N#CCCC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423124391 1096578646 /nfs/dbraw/zinc/57/86/46/1096578646.db2.gz GLATVSAUHABTTL-XJUOHMSHSA-N 2 0 361.489 4.267 20 30 FIEDRP C=CCC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccco1 ZINC000514100085 1107138140 /nfs/dbraw/zinc/13/81/40/1107138140.db2.gz TWIBGJLYQVAPCX-JOCHJYFZSA-N 2 0 367.537 4.214 20 30 FIEDRP N#Cc1ccc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)s1 ZINC000538404294 1111117251 /nfs/dbraw/zinc/11/72/51/1111117251.db2.gz YFBOHJAWKQETGG-UHFFFAOYSA-N 2 0 367.562 4.444 20 30 FIEDRP C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000594517527 1115458846 /nfs/dbraw/zinc/45/88/46/1115458846.db2.gz XJXJNTZBIOFZGO-GOSISDBHSA-N 2 0 363.505 4.229 20 30 FIEDRP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1F ZINC000594999698 1115506948 /nfs/dbraw/zinc/50/69/48/1115506948.db2.gz GWAAIVJLPDWUNO-NRFANRHFSA-N 2 0 363.480 4.089 20 30 FIEDRP CC1(C)C[N@H+](Cc2ccc(C#N)cn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596595670 1115600567 /nfs/dbraw/zinc/60/05/67/1115600567.db2.gz UUKZNBRPCIKQTI-HSZRJFAPSA-N 2 0 374.532 4.076 20 30 FIEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495435681 1120809798 /nfs/dbraw/zinc/80/97/98/1120809798.db2.gz ZDABGQVBKLPEGA-FVJLSDCUSA-N 2 0 351.469 4.259 20 30 FIEDRP Cc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc2[nH+]1 ZINC000301079709 1124189438 /nfs/dbraw/zinc/18/94/38/1124189438.db2.gz LYRDSWSZSWIWAT-UHFFFAOYSA-N 2 0 356.473 4.127 20 30 FIEDRP C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000619754726 1125680670 /nfs/dbraw/zinc/68/06/70/1125680670.db2.gz IZPBBKGBJFISHX-OAHLLOKOSA-N 2 0 357.885 4.003 20 30 FIEDRP C=CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccco1 ZINC000276389712 1082708365 /nfs/dbraw/zinc/70/83/65/1082708365.db2.gz BLEZGWQLKNFBGN-NRFANRHFSA-N 2 0 354.494 4.033 20 30 FIEDRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000247477565 1083327999 /nfs/dbraw/zinc/32/79/99/1083327999.db2.gz UBWWEEWYEAQRSZ-GUDVDZBRSA-N 2 0 363.505 4.018 20 30 FIEDRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1F ZINC000512642346 1093065930 /nfs/dbraw/zinc/06/59/30/1093065930.db2.gz ORPNBQUAVYQVAL-QGZVFWFLSA-N 2 0 367.468 4.023 20 30 FIEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512667850 1093111711 /nfs/dbraw/zinc/11/17/11/1093111711.db2.gz RHGGCLGEIHSHJN-QGZVFWFLSA-N 2 0 369.484 4.269 20 30 FIEDRP C[C@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)C1=CC[N@H+](C)CC1 ZINC000329699647 1095150513 /nfs/dbraw/zinc/15/05/13/1095150513.db2.gz GFNUZWMEGQNVLK-QFBILLFUSA-N 2 0 370.541 4.100 20 30 FIEDRP N#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cc1F ZINC000421322071 1095522828 /nfs/dbraw/zinc/52/28/28/1095522828.db2.gz FOFDAWSKIQZEBT-UHFFFAOYSA-N 2 0 351.469 4.363 20 30 FIEDRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCSCc3ccccc3C#N)CC2)C1 ZINC000536864999 1100383183 /nfs/dbraw/zinc/38/31/83/1100383183.db2.gz VCFTVOSIARHZPP-XMSQKQJNSA-N 2 0 371.594 4.424 20 30 FIEDRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000453396066 1108528651 /nfs/dbraw/zinc/52/86/51/1108528651.db2.gz XTMZUOFVICURJQ-UHFFFAOYSA-N 2 0 351.469 4.230 20 30 FIEDRP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1C#N ZINC000440808023 1108881933 /nfs/dbraw/zinc/88/19/33/1108881933.db2.gz PPULEHKOVGSYBS-UHFFFAOYSA-N 2 0 363.505 4.089 20 30 FIEDRP CC1(C#N)CCC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000449185298 1109994294 /nfs/dbraw/zinc/99/42/94/1109994294.db2.gz NRZOSNVGDYMTKS-UHFFFAOYSA-N 2 0 369.553 4.120 20 30 FIEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000595068014 1115509363 /nfs/dbraw/zinc/50/93/63/1115509363.db2.gz MWTUFHZJONREMW-DEOSSOPVSA-N 2 0 374.532 4.223 20 30 FIEDRP CC(C)([NH2+]CCC[NH2+]C(C)(C)c1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000595640246 1115551187 /nfs/dbraw/zinc/55/11/87/1115551187.db2.gz QUPAAZMAFYGCQT-UHFFFAOYSA-N 2 0 360.505 4.170 20 30 FIEDRP C[C@@H]1C[C@@H]1C[N@H+](CCCC[NH+](C)[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000599611341 1115831663 /nfs/dbraw/zinc/83/16/63/1115831663.db2.gz ZDVJFASVMQWFQR-VFPNFYTQSA-N 2 0 356.558 4.041 20 30 FIEDRP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1C#N ZINC000174272094 1116125422 /nfs/dbraw/zinc/12/54/22/1116125422.db2.gz FNJZDXPVUGIGDB-GOSISDBHSA-N 2 0 363.505 4.231 20 30 FIEDRP C#CCOc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cc1 ZINC000174451262 1116134940 /nfs/dbraw/zinc/13/49/40/1116134940.db2.gz CZXGTFBHFIZKMS-UHFFFAOYSA-N 2 0 374.484 4.213 20 30 FIEDRP C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101366 1119565833 /nfs/dbraw/zinc/56/58/33/1119565833.db2.gz LFFCNADOJMSPHL-QUCCMNQESA-N 2 0 355.526 4.112 20 30 FIEDRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000181626109 1125076646 /nfs/dbraw/zinc/07/66/46/1125076646.db2.gz JJODOGNSFCNOOF-GOSISDBHSA-N 2 0 363.505 4.130 20 30 FIEDRP C[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181847398 1125157194 /nfs/dbraw/zinc/15/71/94/1125157194.db2.gz CZYFKHYIICQOSK-OALUTQOASA-N 2 0 351.494 4.150 20 30 FIEDRP C=C(C)C[NH+](C)Cc1c(O)ccc2ccc(O)c(C[N@H+](C)CC(=C)C)c21 ZINC000182629616 1125588837 /nfs/dbraw/zinc/58/88/37/1125588837.db2.gz HYSBKYFWRDCSIG-UHFFFAOYSA-N 2 0 354.494 4.267 20 30 FIEDRP Cc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000134549421 1082707060 /nfs/dbraw/zinc/70/70/60/1082707060.db2.gz FALUZELIICVDKI-HNAYVOBHSA-N 2 0 374.891 4.207 20 30 FIEDRP N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000092073615 1084159648 /nfs/dbraw/zinc/15/96/48/1084159648.db2.gz PYJCZISCMFOZTB-FQEVSTJZSA-N 2 0 372.472 4.240 20 30 FIEDRP C#CCCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000236685814 1090452936 /nfs/dbraw/zinc/45/29/36/1090452936.db2.gz NMVGRLVQJWCVHV-UHFFFAOYSA-N 2 0 362.517 4.364 20 30 FIEDRP N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000442864131 1092808049 /nfs/dbraw/zinc/80/80/49/1092808049.db2.gz BUEILFAPDGVHGA-NCGMKCSASA-N 2 0 351.538 4.207 20 30 FIEDRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)cc2F)C[N@@H+]1Cc1ccccc1 ZINC000513499203 1094172748 /nfs/dbraw/zinc/17/27/48/1094172748.db2.gz DWXHYZNJOJIAIC-YLJYHZDGSA-N 2 0 351.469 4.088 20 30 FIEDRP C[C@H](NC(=O)C[NH+]1CCC(c2ncc[nH]2)CC1)c1ccc2c(c1)CCCC2 ZINC000329750001 1095249078 /nfs/dbraw/zinc/24/90/78/1095249078.db2.gz HVQZWZDTOYDVQZ-INIZCTEOSA-N 2 0 366.509 4.186 20 30 FIEDRP C[NH+](C)C1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000421366668 1095562403 /nfs/dbraw/zinc/56/24/03/1095562403.db2.gz CIFFGLKMHDPLBY-UHFFFAOYSA-N 2 0 363.505 4.100 20 30 FIEDRP N#Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000536667304 1100142697 /nfs/dbraw/zinc/14/26/97/1100142697.db2.gz WTOOUDOLMZUYSM-UHFFFAOYSA-N 2 0 351.519 4.108 20 30 FIEDRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCSCc3ccccc3C#N)CC2)C1 ZINC000536864982 1100384338 /nfs/dbraw/zinc/38/43/38/1100384338.db2.gz VCFTVOSIARHZPP-AVRDEDQJSA-N 2 0 371.594 4.424 20 30 FIEDRP C[N@@H+](CC#Cc1ccc(Cl)cc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843982 1103965984 /nfs/dbraw/zinc/96/59/84/1103965984.db2.gz WZJPOHNKHNVNBI-UHFFFAOYSA-N 2 0 367.924 4.325 20 30 FIEDRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccc(CC#N)cc3)C2)s1 ZINC000571807537 1114540412 /nfs/dbraw/zinc/54/04/12/1114540412.db2.gz WUWOWSQNCWDIGK-FQEVSTJZSA-N 2 0 353.535 4.077 20 30 FIEDRP CC(C)([NH2+]C/C=C\C[NH2+]C(C)(C)c1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000595632148 1115552121 /nfs/dbraw/zinc/55/21/21/1115552121.db2.gz CILTYPOGEYJSOY-WAYWQWQTSA-N 2 0 372.516 4.336 20 30 FIEDRP C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311954038 1119396595 /nfs/dbraw/zinc/39/65/95/1119396595.db2.gz MDDWEJDNYWHUEF-SIKLNZKXSA-N 2 0 350.506 4.252 20 30 FIEDRP C[C@@H](Cc1cccc(F)c1)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168474318 1120395986 /nfs/dbraw/zinc/39/59/86/1120395986.db2.gz RJMRUJAAUNUPJX-RTFZILSDSA-N 2 0 365.496 4.400 20 30 FIEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921775756 1124595294 /nfs/dbraw/zinc/59/52/94/1124595294.db2.gz YZFGUMOUZIZTLI-UHFFFAOYSA-N 2 0 351.475 4.135 20 30 FIEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000248737090 1124807506 /nfs/dbraw/zinc/80/75/06/1124807506.db2.gz BZGVFEQXXRKPOV-XUZZJYLKSA-N 2 0 373.544 4.302 20 30 FIEDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000181518175 1124993872 /nfs/dbraw/zinc/99/38/72/1124993872.db2.gz GALGWXHDKHZXDL-GOSISDBHSA-N 2 0 351.494 4.130 20 30 FIEDRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177686235 1081531321 /nfs/dbraw/zinc/53/13/21/1081531321.db2.gz RTYRAIIILNQFGW-IRXDYDNUSA-N 2 0 353.535 4.387 20 30 FIEDRP N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612200490 1083546553 /nfs/dbraw/zinc/54/65/53/1083546553.db2.gz RFFBDLNTZKSWKA-SESVDKBCSA-N 2 0 351.519 4.010 20 30 FIEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236658817 1089740626 /nfs/dbraw/zinc/74/06/26/1089740626.db2.gz FRNVURHOZMWJFU-SFHVURJKSA-N 2 0 351.494 4.107 20 30 FIEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(Cl)cc1C#N ZINC000480852930 1089943273 /nfs/dbraw/zinc/94/32/73/1089943273.db2.gz OTWWUSRAOYNGKY-UHFFFAOYSA-N 2 0 368.912 4.345 20 30 FIEDRP N#CCc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000399127861 1093784500 /nfs/dbraw/zinc/78/45/00/1093784500.db2.gz LOGPHNCMHLZDJE-UHFFFAOYSA-N 2 0 359.517 4.241 20 30 FIEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421335376 1095550959 /nfs/dbraw/zinc/55/09/59/1095550959.db2.gz SJTWDPJNMLDACB-KRWDZBQOSA-N 2 0 351.469 4.362 20 30 FIEDRP C=C(C)CN1CCC([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000438840435 1100957537 /nfs/dbraw/zinc/95/75/37/1100957537.db2.gz XGMHCKFVTOLEOW-UHFFFAOYSA-N 2 0 355.570 4.060 20 30 FIEDRP C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551260520 1103009785 /nfs/dbraw/zinc/00/97/85/1103009785.db2.gz YAXUQKLNQYDSCZ-FGZHOGPDSA-N 2 0 356.554 4.250 20 30 FIEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000507652896 1103577238 /nfs/dbraw/zinc/57/72/38/1103577238.db2.gz YMCZAESOKSRJAF-UHFFFAOYSA-N 2 0 351.538 4.387 20 30 FIEDRP C=CCC[C@@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)c1ccco1 ZINC000514098550 1103784325 /nfs/dbraw/zinc/78/43/25/1103784325.db2.gz HVDDNDVEMMYYKT-JOCHJYFZSA-N 2 0 367.537 4.214 20 30 FIEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000531152920 1107581450 /nfs/dbraw/zinc/58/14/50/1107581450.db2.gz RVLHPKRHPCJUBO-FCHUYYIVSA-N 2 0 363.505 4.100 20 30 FIEDRP N#CC1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453209377 1108279832 /nfs/dbraw/zinc/27/98/32/1108279832.db2.gz IEVATKAVPZCQGQ-DXEGLPQDSA-N 2 0 351.538 4.349 20 30 FIEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000453297007 1108372555 /nfs/dbraw/zinc/37/25/55/1108372555.db2.gz VOFYXCGHMWNBIQ-JELQSWKKSA-N 2 0 351.538 4.349 20 30 FIEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000449528200 1110099910 /nfs/dbraw/zinc/09/99/10/1110099910.db2.gz NUFWVRHJBZNMJW-UHFFFAOYSA-N 2 0 365.521 4.347 20 30 FIEDRP C=CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000552280784 1111658330 /nfs/dbraw/zinc/65/83/30/1111658330.db2.gz SRDXQQOACOZEAG-RTWAWAEBSA-N 2 0 354.494 4.033 20 30 FIEDRP C=CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000486488816 1113576909 /nfs/dbraw/zinc/57/69/09/1113576909.db2.gz MYQMABJXDOBSMI-DENIHFKCSA-N 2 0 350.506 4.252 20 30 FIEDRP N#CC1(c2ccc(C[NH2+]CC3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000594916992 1115488935 /nfs/dbraw/zinc/48/89/35/1115488935.db2.gz FCYIUYJRKGMHLU-UHFFFAOYSA-N 2 0 359.517 4.244 20 30 FIEDRP CC1(C)CN(Cc2ccncc2C#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593660 1115600599 /nfs/dbraw/zinc/60/05/99/1115600599.db2.gz QSBIAVHXONGKDN-QHCPKHFHSA-N 2 0 374.532 4.076 20 30 FIEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495435679 1120808904 /nfs/dbraw/zinc/80/89/04/1120808904.db2.gz ZDABGQVBKLPEGA-CSODHUTKSA-N 2 0 351.469 4.259 20 30 FIEDRP